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# Cosmic Microwave Background in Closed Multiply Connected Universes

## 1 Introduction

For a long time, cosmologists have assumed the simply connectivity of the spatial hypersurface of the universe. If it is the case, the topology of closed 3-spaces is limited to that of a 3-sphere if Poincaré’s conjecture is correct. However, there is no particular reason for assuming the simply connectivity since the Einstein equations do not specify the boundary conditions. If we allow the spatial hypersurface being multiply connected then the spatial geometry of closed models can be flat or hyperbolic as well. We should be able to observe the imprint of the “finiteness” of the spatial geometry if it is multiply connected on scales of the order of the particle horizon or less, in other words, if we live in a “small universe”.
However, it has been claimed by several authors that the “small universes” have already been ruled out observationally. For a flat 3-torus model without the cosmological constant, the COBE data constrains the topological identification scale $`L`$ (the minimum length of periodic geodesics) to be $`L0.4\times 2R_{}`$ where $`R_{}`$ is the comoving radius of the last scattering surface . The suppression of the fluctuations on scales beyond $`L`$ leads to a decrease of the angular power spectrum $`C_l`$ of the CMB temperature fluctuations on large angular scales.
In contrast, for low matter density models, the constraint could be considerably less stringent since a bulk of large-angle CMB fluctuations can be produced by the so-called (late) integrated Sachs-Wolfe effect  which is the gravitational blueshift effect of the free streaming photons caused by the decay of the gravitational potential. If the background geometry is either flat or hyperbolic, then the angular size of a fluctuation becomes small as it approaches to the observation point. Although fluctuations beyond the size of the fundamental domain are suppressed, no significant suppression in large-angle power occurs if they are produced at place well after the last scattering. In other words, large-angle fluctuations can be generated when the fluctuations enter the topological identification scale at late time.

## 2 Closed Flat Models

Let us first consider closed models in which the spatial geometry is represented as a flat 3-torus obtained by gluing the opposite faces of a cube with sides $`L`$ by three translations. Then the wave numbers of the square-integrable eigenmodes of the Laplacian are restricted to the discrete values $`k_i=2\pi n_i/L`$, ($`i=1,2,3`$) where $`n_i`$’s run over all integers. Assuming adiabatic initial perturbation, the angular power spectrum is written as

$`C_l`$ $`=`$ $`{\displaystyle \underset{𝐤0}{}}{\displaystyle \frac{8\pi ^3𝒫_\mathrm{\Phi }(k)F_{kl}^2}{k^3L^3}},`$
$`F_{kl}`$ $`=`$ $`{\displaystyle \frac{1}{3}}\mathrm{\Phi }(\eta _{})j_l(k(\eta _o\eta _{}))+2{\displaystyle _\eta _{}^{\eta _o}}𝑑\eta {\displaystyle \frac{d\mathrm{\Phi }}{d\eta }}j_l(k(\eta _o\eta )),`$ (1)
where $`\eta _{}`$ and $`\eta _0`$ correspond to the last scattering and the present conformal time, $`𝒫_\mathrm{\Phi }(k)`$ is the initial power spectrum for the Newtonian curvature perturbation $`\mathrm{\Phi }`$ and $`k\sqrt{k_1^2+k_2^2+k_3^2}`$. From now on we assume the scale-invariant Harrison-Zel’dovich spectrum ($`𝒫_\mathrm{\Phi }(k)=const.`$) as the initial power spectrum. The angular scale which gives the suppression scale $`l_{cut}`$ is determined by the lowest eigenmode on the last scattering surface. The oscillation scale for $`l<l_{cut}`$ is also determined by the first eigenmode corresponding to the contribution from ordinary Sachs-Wolfe effect and the integrated Sachs-Wolfe effect. On smaller angular scales $`l>l_{cut}`$, each peak in the power corresponds to the fluctuation scale of the second and higher eigenmodes at the last scattering. This behavior is analogous to the acoustic oscillation where the oscillation scale is determined by the sound horizon at the last scattering.

As shown in figure 1, the angular power for a model with $`(\mathrm{\Omega }_m,\mathrm{\Omega }_\mathrm{\Lambda })=(0.1,0.9)`$ is jagged in $`l`$ but strong suppression is not observed for even very small models. Surprisingly, in low matter density models, the slight excess power due to the integrated Sachs-Wolfe effect is cancelled out by the moderate suppression owing to the mode-cutoff which leads to a nearly flat spectrum. However, as observed in the “standard” 3-torus model, the power spectra have prominent oscillating features.
We have carried out Bayesian analyses using the COBE-DMR 4-year data and obtained the constraints in the size of the fundamental domain $`L1.6H_0^1`$ and $`L2.2H_0^1`$ for the “standard” 3-torus model $`(\mathrm{\Omega }_m,\mathrm{\Omega }_\mathrm{\Lambda })=(1.0,0)`$ and the 3-torus model with low matter density $`(\mathrm{\Omega }_m,\mathrm{\Omega }_\mathrm{\Lambda })=(0.1,0.9)`$, respectively. The maximum number $`N`$ of images of the cell within the observable region at present is 8 and 49 for the former and the latter, respectively.

## 3 Closed Hyperbolic Models

Next we consider closed hyperbolic models with small volume. The interesting property of closed (compact) hyperbolic manifolds is the existence of the lower bound for the volume $`V>0.16668\mathrm{}`$ (in unit of cube of curvature radius). If the creation of the universe with smaller volume is more likely then it gives the reason why the topological identification scale is comparable to the present horizon scale. For flat models, there is no reason for the “coincidence” in the scale since one can choose the volume arbitrarily. The smallest known one is called the Weeks manifold with volume 0.94 (in unit of cube of curvature radius). Today, the number of known examples of closed hyperbolic manifolds is more than 10000 which have been stored in a computer program “SnapPea” by J. Weeks.

In fact, we have found that the suppression in the angular power due to the mode-cutoff for closed hyperbolic models is also very weak (figure 2). As is the case for flat 3-torus models, the suppression scale $`l_{cut}`$ is determined by the lowest eigenmode on the last scattering surface. Beyond the scale $`l_{cut}`$ the ordinary Sachs-Wolfe contribution is strongly suppressed as in compact flat models without the $`\mathrm{\Lambda }`$ term. The weak suppressions imply the significant contribution from the integrated Sachs-Wolfe effect on large-angle scales $`l>l_{cut}`$. Because the curvature dominant epoch comes earlier in time than the $`\mathrm{\Lambda }`$ dominant epoch, the contribution from the integrated Sachs-Wolfe effect is much greater than that for flat $`\mathrm{\Lambda }`$ models. Below the scale $`l_{cut}`$, a considerable amount of contribution comes from the second lowest eigenmode. As the number of modes which contribute to $`C_l`$ grows, $`C_l`$ converges to the value for the infinite counterpart. The obtained constraint for the Weeks model (volume=0.94) is $`\mathrm{\Omega }_00.1`$ and the maximum expected number of copies of the fundamental domain inside the present observable region is approximately 1560. Note that the obtained result agrees with other recent works. Furthermore, for some closed hyperbolic models, it is found that the computed angular powers give a much better fit to the COBE data since the quadrapole is very low.
However, one might argue that the constraint using only the power spectrum is not sufficient since it contains only isotropic information for 2-point correlations. In fact there is a gap between the likelihood using only the power spectrum and that using full covariance elements for the 3-torus models. For globally anisotropic models, the fluctuations are anisotropic Gaussian for a given axis but are non-Gaussian if the likelihoods are marginalized over the axis. For locally closed Friedmann-Robertson-Walker models, the skewness is zero but the kurtosis is non-zero assuming that the initial fluctuations are Gaussian. Another feature is the correlation between the expansion coefficient $`a_{lm}`$’s of the temperature fluctuations in the sky which are independent random numbers for the standard infinite counterparts in which the initial fluctuations are homogeneous and isotropic Gaussian. In the case of flat 3-torus models, $`a_{lm}`$’s are written in terms of spherical harmonics $`Y_{lm}(\widehat{𝐤})`$ which correspond to the expansion coefficients of the eigenmodes in the 3-torus in terms of the eigenmodes of the 3-dimensional Euclidean space. Therefore, if the number of the term in the sum that gives $`a_{lm}`$ is small then $`a_{lm}`$’s are no longer independent. This is the main reason for the gap in the likelihoods for the 3-torus models. In contrast, for closed hyperbolic models, the expansion coefficients of the eigenmodes are well approximated by Gaussian pseudo random numbers . Therefore for homogeneous ensembles, $`a_{lm}`$ can be described as independent “random” numbers although they are non Gaussian (since they are written in terms of a sum of products of two independent Gaussian numbers). This implies that the value of the likelihood is highly dependent on the place of the observer in the manifold. In order to constrain closed hyperbolic models which are globally inhomogeneous, one should calculate the likelihood everywhere in the manifold. If one marginalizes the likelihood over the orientation (axis) and the position of the observer then $`a_{lm}`$’s become independent non-Gaussian random numbers. Thus we expect that the constraints using only the power spectrum give better estimates for closed hyperbolic models than closed flat models in which the correlations in $`a_{lm}`$’s are prominent.

## 4 Conclusion

We have investigated the CMB anisotropy in closed multiply connected universes (flat and hyperbolic) with low matter density. We have seen that the COBE constraints for these models are less stringent compared with the simplest “standard” 3-torus model ($`\mathrm{\Omega }_m=1.0`$). On the other hand recent observations of distant supernova Ia  and of the CMB on small angular scales  imply that our universe is nearly flat with the cosmological constant (or “quintessence”, X-matter etc.) which dominates the present universe. It seems that the closed hyperbolic models are ruled out but it is still not conclusive. If one includes the cosmological constant for a fixed curvature radius, the comoving radius of the last scattering surface in unit of curvature radius becomes large. Therefore the observable effects of the non-trivial topology become much prominent. For instance, the number $`N`$ of copies of the fundamental domains inside the observable region at present is approximately 28 for the Weeks model with $`\mathrm{\Omega }_\mathrm{\Lambda }=0.6`$ and $`\mathrm{\Omega }_m=0.2`$ whereas $`N=4`$ if $`\mathrm{\Omega }_\mathrm{\Lambda }=0`$ and $`\mathrm{\Omega }_m=0.8`$. If one allows hyperbolic orbifold models then the number can be increased as much as $`N=52`$ for $`\mathrm{\Omega }_\mathrm{\Lambda }=0.75`$ and $`\mathrm{\Omega }_m=0.2`$ since the volume of the smallest orbifold (arithmetic) is very small (=0.039). At least at the classical level it seems that there is no reason to exclude any orbifold models although they have singular points where the curvature diverges.


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# The heat capacity of the restricted primitive model electrolyte

## Abstract

The constant-volume heat capacity, $`C_V(T,\rho )`$, of the restricted primitive model (RPM) electrolyte is considered in the vicinity of its critical point. It is demonstrated that, despite claims, recent simulations for finite systems do not convincingly indicate the absence of a divergence in $`C_V(T,\rho )`$—which would point to non-Ising-type criticality. The strong qualitative difference between $`C_V`$ for the RPM and for a Lennard-Jones fluid is shown to result from the low critical density of the former. If one considers the theoretically preferable configurational heat-capacity density, $`C_V/V`$, the finite-size results for the two systems display qualitatively similar behavior on near-critical isotherms.

The critical behavior of Coulombic systems continues to be subject to debate. Whereas it is generally accepted that the critical behavior of the gas–liquid transition in simple liquids belongs to the three-dimensional (3D) Ising universality class, the situation in ionic solutions is considerably more obscure. At sufficiently low temperatures, these solutions exhibit separation into two phases with different density, driven primarily by the Coulombic forces between the charged constituents. Experimentally, both classical (as one might guess from the long-range character of the ionic forces) and Ising-type critical behavior (as might be explained by the effects of Debye screening) have been reported: see, e.g., Refs. . Other possible scenarios entail a crossover from classical to Ising-type behavior at considerably smaller reduced temperatures than in simple fluids or even the existence of a different type of criticality.

In view of the significance of electrolytes and ionic systems in many domains, a clear understanding of their critical behavior is of interest. It is, therefore, disconcerting that even for the simplest model thought to capture the salient features of such systems, namely, the restricted primitive model (RPM), the universality class has not yet been established beyond reasonable doubt. The RPM consists of a mixture of hard spheres of uniform diameter $`\sigma `$, half of which carry a charge $`+q`$ and half a charge $`q`$. Its critical behavior has been analyzed by both analytical and numerical means. Analytically, a fairly satisfactory description of the critical region (except for the nature of the criticality) has been obtained from Debye–Hückel theory supplemented by Bjerrum’s concept of ion pairing and allowance for the solvation of dipolar–ion pairs in the ionic fluid. However, lack of a sufficiently adequate formulation at the mean-field level has hindered the development of a renormalization-group treatment, see, e.g., Ref. . Furthermore, simulations have also encountered serious difficulties, not only because of the long-range nature of the interactions, but, in particular, because of the low value of the critical temperature and the resulting presence of many strongly bound ion pairs. The limited statistical accuracy and range in system sizes that have been reliably accessed have hampered detailed numerical analysis.

This note has been inspired by recent work by Valleau and Torrie (VT), who performed numerical simulations of the RPM using a temperature-and-density-scaling Monte Carlo method. Other simulations focused mainly on the coexistence curve below $`T_c`$. Experimentally, observations of the coexistence curve as $`TT_c`$ have been revealing of universality class (with $`\beta _{\mathrm{Ising}}0.326`$ and $`\beta _{\mathrm{classical}}=\frac{1}{2}`$) or of crossover behavior. In simulations, however, finite-size effects preclude the estimation of the coexistence curve close to $`T_c`$: Wilding and Bruce have devised a finite-size scaling technique for analyzing the corresponding Monte Carlo data which has led to fairly precise and seemingly rather reliable estimates of the critical temperature, $`T_c`$, and to reasonable estimates of the overall ionic critical density, $`\rho _c`$. However, their technique presupposes Ising-type criticality and has not, therefore, provided any effective criteria for ruling out (or, possibly, revealing) other types of criticality.

By contrast, VT focused on the heat capacity at constant volume, $`C_V(T,\rho )`$, in the one-phase region both as a function of density, $`\rho `$, near $`T_c`$ and on approach to criticality from above. In a classical, or van der Waals-type system $`C_V`$ remains finite as $`TT_c+`$ on the critical isochore, $`\rho =\rho _c`$, whereas in an Ising-type system, $`C_V(T,\rho _c)`$ diverges to infinity, albeit weakly with an exponent $`\alpha 0.109`$. As one passes through $`T_c`$ from above in a classical system, $`C_V(T,\rho _c)`$ undergoes a positive jump discontinuity and decreases smoothly thereafter: see Fig. 1; an Ising-type fluid exhibits a $`|TT_c|^\alpha `$ singularity falling rapidly from infinity as $`T`$ decreases. Accordingly, VT argued that an examination of $`C_V(T,\rho )`$ for the RPM for $`TT_c`$ and, in particular, comparison with simulations of a Lennard-Jones (LJ) model fluid (for which Ising-type or close-to-Ising-type behavior may be accepted) should provide an effective diagnostic of critical behavior. On the basis of the simulations they undertook and presented, VT concluded that little if any evidence of a rise in specific heat was present in the RPM. This suggested that criticality in the RPM might be classical in nature or, at least, characterized by crossover rather close to $`T_c`$.

While we acknowledge the potential value of the VT approach, we find, as will be explained, that we cannot accept the validity of their analyses or of the conclusions they draw. Indeed, although Ising and classical behavior are essentially different in the thermodynamic limit, they are far more difficult to distinguish in the small systems that are accessible to numerical simulations. Specifically, VT studied the heat capacity (i) along the estimated critical isochore (for $`T>T_c`$) and (ii) along the anticipated critical isotherm, for a wide range of densities. In the first case, as mentioned, they found no signs of a divergence in $`C_V(T,\rho _c)`$. In the second case, no (finite-size rounded) peak was seen near the critical density. It is this latter observation that VT advance as strong evidence against Ising-type critical behavior in the restricted primitive model, since, as they illustrated, $`C_V(T_c,\rho )`$ in a Lennard-Jones fluid exhibits a clear, system-size-dependent peak in the vicinity of $`\rho =\rho _c`$. Here, we reconsider this evidence, which stands unchallenged to date, either through new simulations or via a reanalysis of the VT data.

Consider, first, the heat capacity along the critical isochore. VT observe that $`C_V(T,\rho _c)`$ increases almost linearly upon approach to $`T_c`$ from above, with no evidence of a divergence. They do, however, remark that this might be due to the fact that all their observed temperatures lay within the regime of finite-size rounding, where the correlation length is restricted by the system size. We feel, rather, that it is the constraint $`t(TT_c)/T_c>0`$ that might lead to premature conclusions. In Fig. 1 we show the specific heat at constant volume for an infinite-range, van der Waals or mean-field lattice gas (in which all particles interact equally) for a number of system sizes. The plots for density $`\rho =\rho _c\frac{1}{2}\rho _{\mathrm{max}}`$ represent the behavior along the critical isochore, whereas the curves for $`\rho =\frac{3}{4}\rho _c`$ and $`\rho =\frac{5}{4}\rho _c`$ (the system being symmetric around $`\rho _c`$) illustrate the behavior along a noncritical isochore. As expected, the peak heights are lower if $`\rho \rho _c`$; but the qualitative behavior of the specific heat evidently persists even for relatively large deviations from the critical isochore. (Thus, even moderately large errors in the estimate of $`\rho _c`$ for the RPM should not affect qualitative conclusions.)

The crucial point, however, is that (despite the absence of a divergence of $`C_V(T,\rho _c)`$ in the thermodynamic limit) the mean-field plots display pronounced size-dependent maxima for $`T<T_c`$. Indeed, even though these peak heights must saturate, whereas they diverge for an Ising-type system with short-range interactions, the behavior of small systems is qualitatively very similar in both cases. In particular, the specific heats of finite 3D Ising models and hard-core square-well fluids display maxima below $`T_c`$. Thus, it may be difficult to distinguish the two types of behavior unless one has a sufficiently large range of system sizes to allow extrapolation of the peak height and position. Certainly, the linear increase of $`C_V(T,\rho )`$ for $`TT_c+`$ for a given system size, as VT observed for the RPM with $`\rho \rho _c`$, would seem to convey little information regarding the nature of the critical behavior. This is basically a consequence of the fact that for finite 3D systems the specific-heat maxima seem invariably to occur below the true, limiting critical temperature.

In order to illustrate this point more concretely, we have carried out high-resolution Monte Carlo simulations of a discretized version of the RPM. This model differs from the continuum RPM only in that the positions of the ions are restricted to lattice sites: the degree of discretization is determined by the ratio, $`\zeta `$, of the ion diameter $`\sigma `$ to the lattice spacing $`a`$. The continuum limit is recovered by taking $`\zeta \mathrm{}`$. It has been shown that already for the small discretization parameters $`\zeta =3`$, $`4`$, and $`5`$, this model exhibits a liquid–vapor transition like the continuum RPM, with a coexistence curve that approaches that of the continuum model very closely. We have focused on $`\zeta =5`$, and carried out histogram-reweighted grand-canonical simulations for simple cubic lattices of sizes up to $`L=10\sigma `$, which corresponds to $`(\zeta L/\sigma )^3=\mathrm{125\hspace{0.17em}000}`$ possible ion positions. Periodic boundary conditions were employed.

The strong ion pairing at low temperatures makes grand-canonical simulations especially time consuming. However, we view canonical simulations as inherently dangerous owing to the important role of density fluctuations in the vicinity of the critical point. (See also further comments below.) A detailed study of these and related data is in progress, but preliminary examination suggests a reduced critical temperature $`T_c^{}0.051`$ and a critical density $`\rho _c^{}0.068`$. (See, e.g., Refs.  for the standard definitions of reduced units for the RPM.) Our estimates agree with the suggestion of Ref.  that the RPM with $`\zeta =5`$ has a $`T_c^{}`$ slightly higher than that of the continuum RPM ($`T_c^{}0.049`$), although the estimate of VT is $`T_c^{}0.052`$. Figure 2 shows the specific heat of this model for $`\rho \rho _c`$ over a relatively wide temperature range around $`T_c`$. As in Fig. 1, system-size dependent maxima are indeed observed at temperatures that clearly approach $`T_c`$ from below. Their variation with $`L`$ suggests quite strongly that Ising-type behavior cannot be ruled out.

On the other hand, VT’s results for the density dependence of $`C_V`$ at $`T=T_c`$ present, at first sight, a more challenging puzzle. Indeed, their data appeared to reveal a remarkable difference between the RPM and a Lennard-Jones fluid. For the former, $`C_V/Nk_\mathrm{B}`$ decreased monotonically with increasing density, without any evident marked dependence on system size. The corresponding curves VT present for a Lennard-Jones fluid, on the contrary, exhibit a pronounced peak in the vicinity of the critical density $`\rho _c`$ that, furthermore, increases with system size.

Why is a peak for the RPM apparently absent? Without doubt, any maximum or divergence related to criticality in the RPM will be rounded and shifted in finite systems, irrespective of the actual universality class. Furthermore, one must be prepared for strong finite-size effects that are likely to be distorted relative to LJ-type model fluids in light of the shape of the RPM coexistence curve, which is highly asymmetric. This expectation is indeed confirmed by Fig. 3, where the continuous plots show our simulation data for the specific heat of the discretized RPM for six different system sizes at $`T^{}=0.051T_c^{}`$. For each system size there is a clear maximum, at a density that appears to approach the critical density from below. Unfortunately, however, the data of VT (shown for their system size $`N=192`$) did not extend to sufficiently low densities to cover these peaks. Also noteworthy is that their data actually agree rather well with ours for the discretized RPM, at a system size between $`L=5\sigma `$ and $`L=6\sigma `$, even though this is considerably smaller than the dimension $`\stackrel{~}{L}_N(N/\rho )^{1/3}13\sigma `$ suggested by the particle number $`N=192`$. This difference might be due to the $`\zeta =5`$ discretization; but if $`T_c`$ really is lower for the RPM, VT’s data were taken at an isotherm somewhat above $`T_c`$. On the other hand, one cannot exclude the possibility that the difference reflects a relative limitation of the canonical simulations performed by VT. The fixed particle number may, in effect, suppress the characteristic density fluctuations, with a consequential relative suppression and enhanced rounding of various maxima in finite systems. This might also explain why VT observe negligible changes in $`C_V`$ when increasing the number of ions by 50% from 128 to 192. However, the precise nature of the finite-size effects themselves is currently unclear in the framework of the $`T`$-and-$`\rho `$-scaling Monte Carlo used by VT.

Now consider the qualitative differences observed by VT between the specific heats of the RPM and the LJ fluid. These differences also prove to be a consequence of the low critical density of the RPM, compared to $`\rho _c`$ for simple fluids; they do not reflect any significant possible difference in the nature of the critical behavior of the two systems. To see this, recall that in comparing the configurational heat capacity at constant volume for different fluids, or for a fluid and a lattice model, the more basic quantity for criticality and phase separation is the heat capacity per unit volume (or $`C_V`$ density) rather than the specific heat (or heat capacity per particle). In addition to the arguments presented in Ref. , namely the greater naturalness of the grand-canonical ensemble and the expectation that spatial fluctuations most directly characterize critical divergences, note that the field-theoretic viewpoint of critical phenomena and the renormalization-group approach bear out the conclusion that the number of degrees of freedom per unit volume plays the most fundamental role.

Thus, in Fig. 4 we have plotted the heat-capacity density, $`C_V/Vk_\mathrm{B}`$, for the RPM as a function of $`\rho `$ for $`T^{}=0.051`$, with a “harmless background” proportional to $`\rho `$ subtracted. Instead of a monotonically decreasing function, we now obtain a net “energy fluctuation” that displays a clear maximum as a function of $`\rho `$, of a height that increases systematically with size. If we replot VT’s data for the Lennard-Jones fluid in the analogous way, as in Fig. 5, we find similar behavior: indeed, the subtracted heat-capacity density of the LJ fluid on the critical isotherm exhibits clear finite-size maxima as a function of the density, with a systematic size dependence that, as for the RPM, suggests a monotonic increase (as $`L`$ or $`N\mathrm{}`$) peaking in the vicinity of the critical density.

In summary, the constant-volume heat capacity is a useful quantity in the study of the critical behavior of the restricted primitive model for ionic fluids. However, as we have demonstrated, care must be exercised before concluding that a maximum or a critical divergence is absent. Along both the critical isochore and the critical isotherm, numerical results for finite systems exhibit clear maxima, contrary to the suggestions of Ref. . Furthermore, inasfar as one observes an overall qualitative difference between the specific heat for the RPM and a fluid with Lennard-Jones interactions, the effect is primarily due to the large difference in critical densities. It has no relevance to possible differences in critical behavior—for which our current data allow few definitive statements. Conversely, if one considers the heat-capacity density, the two systems exhibit qualitatively rather similar behavior. Whether, ultimately, that reflects the same or distinct critical universality classes remains to be determined on the basis of fluctuations not only of the energy, as observed in the specific heat, but also of fluctuations in density.

###### Acknowledgements.

We thank Dr. G. Orkoulas for informative discussions. The support of the National Science Foundation (through Grant No. CHE 99-81772 to M.E.F.) and of the Department of Energy, Office of Basic Energy Sciences (through Grant No. DE-FG02-98ER14858 to A.Z.P.) is gratefully acknowledged.


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# Isospin Asymmetry in the Pseudospin Dynamical Symmetry

## Abstract

Pseudospin symmetry in nuclei is investigated considering the Dirac equation with a Lorentz structured Woods-Saxon potential. The isospin correlation of the energy splittings of pseudospin partners with the nuclear potential parameters is studied. We show that, in an isotopic chain, the pseudospin symmetry is better realized for neutrons than for protons. This behavior comes from balance effects among the central nuclear potential parameters. In general, we found an isospin asymmetry of the nuclear pseudospin interaction, opposed to the nuclear spin-orbit interaction which is quasi isospin symmetric.

In some heavy nuclei a quasi-degeneracy is observed between single-nucleon states with quantum numbers ($`n`$, $`\mathrm{}`$, $`j=\mathrm{}+1/2`$) and ($`n1`$, $`\mathrm{}+2`$, $`j=\mathrm{}`$ \+ 3/2) where $`n`$, $`\mathrm{}`$, and $`j`$ are the radial, the orbital, and the total angular momentum quantum numbers, respectively. This doublet structure is better expressed using a “pseudo” orbital angular momentum quantum number, $`\stackrel{~}{\mathrm{}}=\mathrm{}+1`$, and a “pseudo” spin quantum number, $`\stackrel{~}{s}=1/2`$. For example, for $`[ns_{1/2},(n1)d_{3/2}]`$ one has $`\stackrel{~}{\mathrm{}}=1`$, for $`[np_{3/2},(n1)f_{5/2}]`$ one has $`\stackrel{~}{\mathrm{}}=2`$, etc. Exact pseudospin symmetry means degeneracy of doublets whose angular momentum quantum numbers are $`j=\stackrel{~}{\mathrm{}}\pm \stackrel{~}{s}`$. This symmetry in nuclei was first reported about 30 years ago kth , but only recently has its origin become a topic of intense theoretical research.

In recent papers bahri ; mosk ; gino ; arima ; meng0  possible underlying mechanisms to generate such symmetry have been discussed. We briefly review the main points of these studies.

Blokhin et al. bahri  performed a helicity unitary transformation in a nonrelativistic single-particle Hamiltonian. They showed that the transformed radial wave functions have a different asymptotic behavior, implying that the helicity transformed mean field acquires a more diffuse surface. Application of the helicity operator to the nonrelativistic single-particle wave function maps the normal state $`(l,s)`$ onto the “pseudo” state $`(\stackrel{~}{l},\stackrel{~}{s})`$, while keeping all other global symmetries bahri . The same kind of unitary transformation was also considered earlier by Bahri et al. mosk  to discuss the pseudospin symmetry in the nonrelativistic harmonic oscillator. They showed that a particular condition between the coefficients of spin-orbit and orbit-orbit terms, required to have a pseudospin symmetry in that non-relativistic single particle Hamiltonian, was consistent with relativistic mean-field (RMF) estimates.

Ginocchio gino , for the first time, identified the pseudospin symmetry as a symmetry of the Dirac Hamiltonian. He pointed out that the pseudo-orbital angular momentum is just the orbital angular momentum of the lower component of the Dirac spinor. Thus, the pseudospin symmetry started to be regarded and understood in a relativistic way. He also showed that the pseudospin symmetry would be exact if the attractive scalar, $`S`$, and the repulsive vector, $`V`$, components of a Lorentz structured potential were equal in magnitude: $`S+V=0`$. Under this condition, the pseudospin symmetry was identified as a SU(2) symmetry of the Dirac Hamiltonian levi .

In RMF models, nuclear saturation is explained by a cancellation between a large scalar ($`S`$) and a large vector ($`V`$) fields furn0 . Typical values for these fields in heavy nuclei are of the order of a few hundred MeV (with opposite signs), their sum providing a binding potential of about $`60`$ MeV at the nucleus center. Therefore, a natural claim of Ginocchio was to regard the quasi-degenerate pseudospin doublets in nuclei as arising from the near equality in magnitude of the attractive scalar, $`S`$, and the repulsive vector, $`V`$, relativistic mean-fields, $`SV`$, in which the nucleons move. When the doublets are degenerate, the shape of the lower components of the Dirac spinor for the two states in the doublet is the same gino2 .

More recently, Meng et al. arima ; meng0  showed that pseudospin symmetry is exact when $`d\mathrm{\Sigma }/dr=0`$ where $`\mathrm{\Sigma }=S+V`$. They also related the onset of the pseudospin symmetry to a competition between the centrifugal barrier and the pseudospin-orbit potential.

Actually, since in nuclei $`S(r),V(r)0`$ when $`r\mathrm{}`$, the conditions $`\mathrm{\Sigma }=0`$ and $`d\mathrm{\Sigma }/dr=0`$ are equivalent. However, these conditions cannot be realized in nuclei, because they imply that no bound states exist gino . Nevertheless, as we will show, there is a correlation between the pseudospin splitting and the depth of $`\mathrm{\Sigma }`$, its surface diffuseness and its radius. Depending on the actual choice of these parameters, fitted to describe a nucleus, the pseudospin symmetry may show up. Thus, one may argue that pseudospin symmetry is a dynamical symmetry in nuclei, in the sense of Arima’s definition of a dynamical symmetry arima1 : (i) a symmetry of the Hamiltonian which is not geometrical in nature; or (ii) a ordered breaking symmetry from dynamical reasons. This is consistent with the findings of Ref. mosk , associating the pseudospin symmetry with a particular relation between the coefficients of spin-orbit and orbit-orbit terms in RMF models.

To establish that correlation, we perform a model calculation with a Lorentz structured potential of Woods-Saxon type in the Dirac equation. The scalar and vector components of this potential are the mean-field central nuclear potentials. The form of the potential is

$$U(r)=\frac{U_0}{1+\mathrm{exp}[(rR)/a]},$$
(1)
where $`U(r)`$ stands for either the vector or the scalar potential. Although this is not a full self-consistent relativistic potential, the use of (1) as a nuclear mean-field is realistic enough to be applied to nuclei and enables us to study the splittings of pseudospin partners not only as a function of the mentioned depth, $`U_0`$, but also of the diffuseness, $`a`$, and the radius, $`R`$.

In nuclear relativistic mean-field theory, each nucleon is described by a Dirac Hamiltonian of a particle of mass $`m`$ in an external scalar, $`S`$, and vector, $`V`$, potentials:

$`H=𝜶\mathbf{}𝒑+\beta (m+S)+V,`$ (2)
where $`𝜶`$ and $`\beta `$ are the usual Dirac matrices. The Dirac Hamiltonian is invariant under an SU(2) transformation for two cases: $`S`$ = $`V`$ and $`S=V`$ smith ; bell .

We define $`\mathrm{\Delta }=VS`$ and denote the upper and lower components of the Dirac spinor by $`\mathrm{\Psi }_\pm =\frac{1\pm \beta }{2}\mathrm{\Psi }`$. Assuming that $`S`$ and $`V`$ are radial functions, the Dirac equation can be decoupled into two equations for the lower and upper components, respectively:

$`^2F_i+{\displaystyle \frac{\mathrm{\Sigma }^{}}{Em\mathrm{\Sigma }}}\left(F_i^{}+{\displaystyle \frac{1\kappa _i}{r}}F_i\right)+`$
$`(E+m\mathrm{\Delta })(Em\mathrm{\Sigma })F_i=0`$ (3)
$`^2G_i+{\displaystyle \frac{\mathrm{\Delta }^{}}{E+m\mathrm{\Delta }}}\left(G_i^{}+{\displaystyle \frac{1+\kappa _i}{r}}G_i\right)+`$
$`(E+m\mathrm{\Delta })(Em\mathrm{\Sigma })G_i=0,`$ (4)
where the primes denote derivatives with respect to $`r`$. The spinors $`\mathrm{\Psi }_\pm `$ have been factorized in radial and angular parts: $`\mathrm{\Psi }_+=\mathrm{i}G_i(r)\mathrm{\Phi }_i^+(\theta ,\varphi )`$ and $`\mathrm{\Psi }_{}=F_i(r)\mathrm{\Phi }_i^{}(\theta ,\varphi )`$, with $`i`$ standing for the quantum numbers of the single particle state. The property $`𝝈𝑳\mathrm{\Phi }_i^\pm =(1\pm \kappa _i)\mathrm{\Phi }_i^\pm `$ was used, $`𝝈`$ being the Pauli matrices.

Before we present our results, let us briefly discuss how the pseudospin symmetry gets broken. The commutator of the SU(2) generators of pseudospin symmetry with the Hamiltonian (2) is given by levi ; smith ; bell ; dudek

$$[H,S_i]=\left(\begin{array}{cc}[\mathrm{\Sigma },\stackrel{~}{s}_i]& 0\\ 0& 0\end{array}\right),$$
(5)
where $`\stackrel{~}{s}_i=\frac{𝝈𝒑}{p}s_i\frac{𝝈𝒑}{p}=\frac{2𝒔𝒑}{p^2}p_is_i`$ and $`s_i=\sigma _i/2`$. The breaking of the pseudospin symmetry can thus be related to the commutator $`[\mathrm{\Sigma },\stackrel{~}{s}_i]`$. Requiring $`[\mathrm{\Sigma },\stackrel{~}{s}_i]=0`$ is equivalent to the previous condition $`d\mathrm{\Sigma }/dr=0`$, when $`\mathrm{\Sigma }`$ is a radial function.

Now we turn to the presentation of our results obtained using the Woods-Saxon potentials (1) in eqs. (3) and (4). There are altogether six parameters for $`\mathrm{\Sigma }`$ and $`\mathrm{\Delta }`$, namely the central depths, $`\mathrm{\Sigma }_0`$ and $`\mathrm{\Delta }_0`$, two radii and two diffuseness parameters. We observed that the pseudospin splitting is not sensitive to $`R`$ and $`a`$ of the $`\mathrm{\Delta }`$ potential, and, accordingly, set the same radius, $`R`$, and surface diffuseness, $`a`$, for both potentials. We first fitted these parameters to the neutron spectra of 208Pb, obtaining a good agreement with the results of Ref. furn1  for the same set of pseudospin doublets: $`(1i_{11/2},2g_{9/2})`$, $`(2f_{5/2},3p_{3/2})`$ and $`(1h_{9/2},2f_{7/2})`$.

Keeping $`\mathrm{\Sigma }_0`$ and $`\mathrm{\Delta }_0`$ fixed, we varied $`a`$ and $`R`$ in order to see how the energy splittings of the pseudospin doublets change with the surface diffuseness and the radius. This dependence is presented in Fig. 1. As $`a`$ increases, the splittings of the pseudospin doublets decrease. On the contrary, as $`R`$ increases the pseudospin splittings increase. The same figure shows that the splittings are more dependent on $`R`$ than on $`a`$. If $`a`$ increases and/or $`R`$ decreases enough, the pseudospin doublet partners cross each other, inverting the sign of the energy splitting, and are driven apart if $`a`$ ($`R`$) further increases (decreases). This inversion of pseudospin partner splittings as $`a`$ increases, $`E_{n1,\stackrel{~}{l}+1/2}<E_{n,\stackrel{~}{l}1/2}`$ changing to $`E_{n1,\stackrel{~}{l}+1/2}>E_{n,\stackrel{~}{l}1/2}`$, is observed experimentally and was also found in meng0 ; ring ; marcos .

We now keep $`a`$, $`R`$ and $`\mathrm{\Delta }_0`$ fixed to study the sensitiveness of the pseudospin doublets with $`\mathrm{\Sigma }_0`$. The results are presented in Fig. 2 and one observes that, as $`|\mathrm{\Sigma }_0|`$ decreases, the splitting also decreases. This is in accordance with Ginocchio predictions for pseudospin symmetry breaking due to the finiteness of the $`\mathrm{\Sigma }`$ mean field. We also found that, for deeper levels, an inversion of pseudospin energy splitting occurs for sufficiently low $`|\mathrm{\Sigma }_0|`$. Comparing Figs. 1 and 2, we see that the splittings of pseudospin partners are more sensitive to the radius and diffuseness than to the central depth of the potential.

We note that the radius dependence is relevant for comparing different nuclei, especially certain isotopes meng . However, we found an interesting correlation between $`|\mathrm{\Sigma }_0|`$ and $`R`$. Varying $`|\mathrm{\Sigma }_0|`$ and $`R`$ but keeping $`a`$ and the product $`|\mathrm{\Sigma }_0|R^2`$ fixed, the pseudospin doublet splittings remain almost constant. Therefore, only two parameters, out of ($`\mathrm{\Sigma }_0,R,a`$), are free.

The variation of the other free parameter, $`\mathrm{\Delta }_0`$, does not qualitatively change the splittings. Since the $`\mathrm{\Delta }`$ potential is related to the effective mass of the nucleons, the basic effect is to slightly change the nucleon separation energies, and especially the spin-orbit coupling, as discussed below. We have also performed the calculation for calcium isotopes, and found the same dependence of the pseudospin splitting with $`R`$, $`a`$ and $`\mathrm{\Sigma }_0`$.

We apply now the systematics to some nuclei studied in the literature. Recently, the pseudospin symmetry in Zr and Sn isotopes was investigated as a function of the number of nucleons meng0 . The form of the $`\mathrm{\Sigma }`$ potential in dependence of the radial distance for such nuclei, as $`A`$ increases, is given in Ref. meng , starting with 100Sn and going up to 170Sn. In meng  it is shown that the central neutron depth, $`\mathrm{\Sigma }_0`$, of Sn isotopes varies from about $`65`$ MeV to $`54`$ MeV, $`R`$ from 5.6 fm to 6.8 fm and the surface diffuseness increases. For the proton, the central depth, $`\mathrm{\Sigma }_0`$, varies from $`50`$ MeV to $`60`$ MeV, $`R`$ from 5 fm to 6.5 fm, while the surface diffuseness also increases, now slightly more than in the neutron case. Using (1), good fits to the neutron central potentials of the Sn isotopes were obtained, with $`\mathrm{\Sigma }_0`$ from $`68.6`$ MeV to $`55.7`$ MeV, $`R`$ from 5.6 fm to 6.7 fm and $`a`$ from 0.6 fm to 0.76 fm, in agreement with Ref. meng .

This information on $`\mathrm{\Sigma }`$ for Sn isotopes allows us to analyze the behavior for neutron pseudospin doublets going from $`A=100`$ to $`A=170`$. As $`A`$ increases, the central depth $`|\mathrm{\Sigma }_0|`$ decreases and the surface diffuseness increases, both effects favoring the pseudospin symmetry, as shown in Figs. 1 and 2. However, the radius increase with $`A`$ can partially offset those effects. Since the values of $`|\mathrm{\Sigma }_0|R^2`$ are roughly constant for neutrons meng , the correlation between these two parameters, mentioned above, implies that the effects of increasing $`R`$ and decreasing $`|\mathrm{\Sigma }_0|`$ in the neutron central potential, when $`A`$ increases, balance each other. Thus, the dominant effect comes from the increasing $`a`$, slightly favoring the pseudospin symmetry.

We extended our analysis to the proton spectra. For this case, as mentioned above, $`|\mathrm{\Sigma }_0|`$ increases as $`A`$ increases for Sn isotopes meng , therefore disfavoring pseudospin symmetry. Moreover, $`R`$ increases, also disfavoring the pseudospin splitting. Hence, at least for the proton spectra, and in opposition to the neutron spectra, we do not have any balance effect coming from $`\mathrm{\Sigma }_0`$ and $`R`$ dependences. Thus, we have a competition between the effects of surface diffuseness (favoring the symmetry), and of depth and radius of the central potential (both disfavoring the symmetry). From our systematics described before we expect that effects coming from the depth and radius of the central potential override the surface diffuseness dependence. Therefore, although the proton spectra along the Sn isotopic chain was not presented in Ref. meng0 , our systematics predicts that the splitting increases for the proton pseudospin partners. The different behavior of the splitting for protons and neutrons can be inferred by looking at the value of $`|\mathrm{\Sigma }_0|R^2`$ for the two cases as $`A`$ changes: the change is considerably higher for protons.

The reason for the different behavior of the central potential depth for neutrons and protons as a function of $`A`$, lies on the $`\rho `$ meson interaction, which is repulsive for neutrons and attractive for protons, as explained by mean-field model calculations furn1 . The inclusion of this interaction, which is important in asymmetric nuclei, changes the vector part of the nuclear potential $`V`$ to

$$V=V_\omega \pm \frac{g_\rho }{2}\rho _0,$$
(6)
with + and $``$ signs for protons and neutrons respectively; $`\rho _0`$ is the time component of the $`\rho `$ field, which is proportional to the number of protons minus the number of neutrons, and $`V_\omega `$ comes from the vector-isoscalar $`\omega `$ meson. The increase of the parameters $`R`$ and $`a`$ with $`A`$ can be traced back to the known nuclear radius $`A^{1/3}`$ dependence and to the excess of neutrons on the surface (the neutron skin effect). Hence, we may conclude that, for a given nucleus, the parameters $`\mathrm{\Sigma }_0`$, $`a`$ and $`R`$ for protons and neutrons are different. Then, an isospin asymmetry in the pseudospin interaction is expected to take place in agreement with the analysis of the mean-field nuclear parameters for protons and neutrons done in mosk . In particular, since $`\rho _0`$ is negative for heavy nuclei, the vector potential (6) is bigger (and, thus, $`|\mathrm{\Sigma }|`$ smaller) for neutrons than for protons. From our previous analysis, for a neutron rich nucleus, the pseudospin symmetry for neutron spectrum is favored, in agreement with the results presented by Lalazissis et al. ring .

The systematics discussed here seems to be quite general and a comment on how it affects the spin-orbit splitting is pertinent. Variations of central depth and surface diffuseness of the nuclear potential do not change as much spin-orbit splittings as they do for the pseudospin-orbit splittings. The reason is that to change substantially spin-orbit splitting one needs a significant relativistic content, i.e. a large lower component in the Dirac spinor palberto . The spin-orbit splitting is completely correlated with the nucleon effective mass furn2 . From Eq. (4), we see that it will depend strongly on $`\mathrm{\Delta }`$. In RMF models this potential carries a quite large scale when compared with $`\mathrm{\Sigma }`$ ($`\mathrm{\Delta }_0`$ is around 650-750 MeV, while $`|\mathrm{\Sigma }_0|`$ is around 50-70 MeV). Therefore, the $`\rho `$ meson potential, $`V_\rho `$, in the range 4-8 MeV, becomes irrelevant compared to $`\mathrm{\Delta }`$. This was verified by recent numerical calculations lal ; meng ; chiappa , showing that the difference between the values of $`\mathrm{\Delta }`$ for protons and neutrons (and, therefore, between the corresponding values of the spin-orbit term) is very small. This explains why the spin-orbit interaction is roughly isospin symmetric.

On the contrary, the pseudospin splitting can change when there is little relativistic content, i.e. a small lower component. This may explain why the nonrelativistic treatment of Ref. bahri  to analyze the origin of the pseudospin symmetry works well in explaining the small pseudospin splitting. The pseudospin-orbit interaction depends on $`\mathrm{\Sigma }`$, as one can see from Eq. (3). Since $`V_\rho `$ cannot be neglected compared to $`\mathrm{\Sigma }`$, the different sign contribution of $`V_\rho `$ in (6) for protons and neutrons has a relevant effect on $`\mathrm{\Sigma }`$, leading to the isospin asymmetry in the pseudospin interaction.

The systematics observed in our model calculation helps us to understand the origin of the pseudospin symmetry and explains the quasi-degeneracy of single-particle states occurring in the spectra of some finite nuclei. The new radioactive nuclear beam facilities will provide more data to which these results can be applied.

###### Acknowledgements.

We acknowledge financial support from FCT (POCTI), Portugal, and from CNPq/ICCTI Brazilian-Portuguese scientific exchange program.


text:
# An efficient, multiple range random walk algorithm to calculate the density of states

\[

## Abstract

We present a new Monte Carlo algorithm that produces results of high accuracy with reduced simulational effort. Independent random walks are performed (concurrently or serially) in different, restricted ranges of energy , and the resultant density of states is modified continuously to produce locally flat histograms. This method permits us to directly access the free energy and entropy, is independent of temperature, and is efficient for the study of both 1st order and 2nd order phase transitions. It should also be useful for the study of complex systems with a rough energy landscape.

\]

Computer simulation has become an essential tool in condensed matter physics , particularly for the study of phase transitions and critical phenomena. The workhorse for the past half-century has been the Metropolis importance sampling algorithm, but more recently new, efficient algorithms have begun to play a role in allowing simulation to achieve the resolution which is needed to accurately locate and characterize phase transitions. For example, cluster flip algorithms, beginning with the seminal work of Swendsen and Wang , have been used to reduce critical slowing down near 2nd order transitions. Similarly, the multicanonical ensemble method  was introduced to overcome the tunneling barrier between coexisting phases at 1st order transitions, and this approach also has utility for systems with a rough energy landscape . In both situations, histogram re-weighting techniques  can be applied in the analysis to increase the amount of information that can be gleaned from simulational data, but the applicability of reweighting is severely limited in large systems by the statistical quality of the “wings” of the histogram. This latter effect is quite important in systems with competing interactions for which short range order effects might occur over very broad temperature ranges or even give rise to frustration that produces a very complicated energy landscape and limit the efficiency of other methods.

In this paper, we introduce a new, general, efficient Monte Carlo algorithm that offers substantial advantages over existing approaches. Unlike conventional Monte Carlo methods that directly generate a canonical distribution at a given temperature $`g(E)e^{E/K_\text{B}T}`$, our approach is to estimate the density of states $`g(E)`$ accurately via a random walk which produces a flat histogram in energy space. The method can be further enhanced by performing multiple random walks, each for a different range of energy, either serially or in parallel fashion. The resultant pieces of the density of states can be joined together and used to produce canonical averages for the calculation of thermodynamic quantities at essentially any temperature. We will apply our algorithm to the 2-dim ten state Potts model and Ising model which have 1st- and 2nd-order phase transitions, respectively, to demonstrate the efficiency and accuracy of the method.

Our algorithm is based on the observation that if we perform a random walk in energy space with a probability proportional to the reciprocal of the density of states $`\frac{1}{g(E)}`$, then a flat histogram is generated for the energy distribution. This is accomplished by modifying the estimated density of states in a systematic way to produce a “flat” histogram over the allowed range of energy and simultaneously making the density of states converge to the true value. At the very beginning of the random walk, the density of states is a priori unknown, so we simply set all densities of states $`g(E)`$ for all energies $`E`$ to $`g(E)=1`$. Then we begin our random walk in energy space by flipping spins randomly. In general, if $`E_1`$ and $`E_2`$ are energies before and after a spin is flipped, the transition probability from energy level $`E_1`$ to $`E_2`$ is simply:

$$p(E_1E_2)=\mathrm{min}(\frac{g(E_1)}{g(E_2)},1)$$
(1)
This is also the probability to flip the spin. Each time an energy level $`E`$ is visited, we update the corresponding density of states by multiplying the existing value by a modification factor $`f>1`$, i.e. $`g(E)g(E)f`$. The initial modification factor can be as large as $`f=f_0=e^12.71828\mathrm{}`$ which allows us to reach all possible energy levels very quickly, even for large systems. We keep walking randomly in energy space and modifying the density of states until the accumulated histogram $`H(E)`$ is “flat”. At this point, the density of states converges to the true value with an accuracy proportion to $`\mathrm{ln}(f)`$ . We then reduce the modification factor to a finer one according to some recipe like $`f_1=\sqrt{f_0}`$ (any function that monotonically decreases to $`1`$ will do) and reset the histogram $`H(E)=0`$. Then we begin the next level random walk with a finer modification factor $`f=f_1`$ , continuing until the histogram is again “flat” after which we stop and reduce the modification factor as before, i.e. $`f_{i+1}=\sqrt{f_i}`$. We stop the simulation process when the modification factor is smaller than some predefined final value (such as $`f_{\text{final}}=\mathrm{exp}(10^8)1.00000001`$). It is very clear that the modification factor $`f`$ in our random walk acts as a control parameter for the accuracy of the density of states during the simulation and also determines how many MC sweeps are necessary for the whole simulation. It is impossible to obtain a perfectly flat histogram and the phrase “flat histogram” in this paper means that histogram $`H(E)`$ for all possible $`E`$ is not less than $`80\%`$ of the average histogram $`H(E)`$. Since the density of states is modified every time the state is visited, we only obtain a relative density of states at the end of the simulation. To calculate the absolute values, we use the condition that the number of ground states for the Ising model is 2 (all spins are up or down) to re-scale the density of states; and if multiple walks are performed within different energy ranges, they must be matched up at the boundaries in energy.

Because of the exponential growth of the density of states in energy space, it is not efficient to simply update the density of states until enough histogram entries are accumulated. All methods based on the accumulation of entries, such as the histogram method , Lee’s version of the multicanonical method (entropic sampling) , the broad histogram method  and the flat histogram method  have the problem of scalability for large systems. These methods suffer from systematic errors and substantial deviations which increase rapidly for large system size. The algorithm proposed in this paper is of both high efficiency and accuracy over wide ranges of temperature for sizes that are beyond those that are tractable by other approaches.

We should point out here that during the random walk (especially for the early stage of iteration), the algorithm does not exactly satisfy the detailed balance condition, since the density of states is modified constantly during the random walk in energy space; however, after many iterations, the density of states converges to the true value very quickly as the modification factor approaches $`1`$. From eq. (1), we have:

$$\frac{1}{g(E_1)}p(E_1E_2)=\frac{1}{g(E_2)}p(E_2E_1)$$
(2)
where $`\frac{1}{g(E_1)}`$ is the probability at the energy level $`E_1`$ and $`p(E_1E_2)`$ is the transition probability from $`E_1`$ to $`E_2`$ for the random walk. We can thus conclude that the detailed balance condition is satisfied to within the accuracy proportion to $`\mathrm{ln}(f)`$.

The convergence and accuracy of our algorithm may be tested for a system with a 2nd order transition, the $`L\times L`$ Ising square lattice with nearest neighbor coupling which is generally perceived as an ideal benchmark for new theories  and simulation algorithms . We simulated both small lattices for which exact results are available as well as $`L=256`$ for which exact enumeration is impossible. In Fig. 1, the densities of states estimated by our algorithm are shown along with the exact results obtained by the method proposed by Beale . We only show the density for systems up to $`L=50`$ which is the maximum size we can calculate with the Mathematica program used in the reference . Since no difference is visible, we show the relative error $`\epsilon (\mathrm{log}(g(E)))`$, which is defined as $`\epsilon (X)|(X_{\text{sim}}X_{\text{exact}})/X_{\text{exact}}|`$ for a general quantity $`X`$ in this paper. With our algorithm we obtain an average error as small as 0.035 % on the $`32\times 32`$ lattice with $`7\times 10^5`$ sweeps. It is possible to estimate the density of states for small systems with the broad histogram method . Recent broad histogram simulational data  for the 2D Ising model on a $`32\times 32`$ lattice with $`10^6`$ MC sweeps yielded an average deviation of the microcanonical entropy from about 0.08 % from the exact solution .

With the Monte Carlo algorithm proposed in this paper, we can estimate the density of states efficiently even for large systems. Because of the symmetry of the density of states for Ising model $`g(E)=g(E)`$, we only need to estimate the density of states in the region $`E/N[2,0]`$, where $`N`$ is total lattice sites. To speed up the simulation for $`L=256`$, we perform 15 independent random walks, each for a different region of energy from $`E/N=2`$ to $`E/N=0.2`$ using $`f_{\text{final}}=\mathrm{exp}(10^8)`$. To reduce the “boundary effect”, random walks over adjacent energy regions overlap by $`\mathrm{\Delta }E/N=0.06`$. The density of states for $`E/N[2,0.2]`$ is obtained by joining 15 densities of states from random walks on different energy regions using a total simulational effort of only $`6.1\times 10^6`$ MC sweeps.

One advantage of our algorithm is that we can readily calculate the Gibbs free energy and the entropy, quantities which are not directly available in conventional Monte Carlo simulations. With the density of states, the Gibbs free energy can be calculated by

$$F(T)=k_\text{B}T\mathrm{ln}(Z)=k_\text{B}T\mathrm{ln}(\underset{E}{}g(E)e^{\beta E}).$$
(3)
Although it is impossible to calculate the exact density of states of Ising model on a lattice as large as $`L=256`$ with the method proposed by Beale , the free energy and specific heat were calculated exactly by Ferdinand and Fisher  on finite-size lattices. In Fig. 2, we compare simulational data and exact solutions for the Gibbs free energy as a function of temperature. The agreement is excellent and a more stringent test of the accuracy shows that the relative error $`\epsilon (F)`$ is smaller than 0.0008% for temperature region $`T[0,8]`$.

The entropy is a very important thermodynamic quantity that cannot be calculated directly in conventional Monte Carlo simulations. It can be estimated by integrating over other thermodynamic quantities, such as specific heat, but such calculations are not so reliable since the specific heat itself is not so easy to estimate accurately. With an accurate density of states estimated by our method, the entropy can be calculated easily by $`S(T)=\frac{U(T)F(T)}{T}`$ where $`U(T)=E_T\underset{E}{}Eg(E)e^{\beta E}/\underset{E}{}g(E)e^{\beta E}`$ is the internal energy. According to our calculation, the errors for $`L=256`$ are smaller than 1.2% in all temperature region $`T[0,8]`$ Very recently, with the flat histogram method  and the broad histogram method , the entropy was estimated with $`10^7`$ MC sweeps for the same model on $`32\times 32`$ lattice; however, the errors in reference  are even much bigger than our errors for $`256\times 256`$!

A more stringent test of the accuracy of the density of states is calculation of the specific heat defined by the fluctuation expression:

$$C(T)=\frac{E^2_TE_{T}^{}{}_{}{}^{2}}{T^2}$$
(4)
Our simulational data on the finite-size lattice are compared with the exact solution obtained by Ferdinand and Fisher  in Fig.3. A stringent test of the accuracy is provided by the inset which shows the relative error $`\epsilon (C)`$. The average error over the entire range $`T[0.4,8]`$ only used a total of $`6.1\times 10^6`$ MC sweeps is 0.39%. The relative errors are not bigger than 4.5% even with fine scale near $`T_\text{c}`$. Recently, Wang, Tay and Swendsen  estimated the specific heat of the same model on a $`64\times 64`$ lattice by the transition matrix Monte Carlo re-weighting method , and for a simulation with $`2.5\times 10^7`$ MC sweeps, the maximum error in temperature region $`T[0,8]`$ was about 1%. When we apply our algorithm to the same model on the $`64\times 64`$ lattice, with a final modification factor of $`1.000000001`$ and a total of $`2\times 10^7`$ MC sweeps on single processor, the errors of the specific heat are reduced below 0.7% for all temperature . The relatively large errors at low temperature reflect the small values for the specific heat at low temperature. The errors in specific heat estimated from the density of states with broad histogram method are obviously visible even for systems as small as $`32\times 32`$  whereas with our method, such differences are invisible even for a system as large as $`256\times 256`$.

With our algorithm, we not only dramatically reduce the computational effort by avoiding multiple simulations for different temperatures close to the transition, but also overcome the slow kinetics at low temperature or near $`T_c`$ for both first-order and second-order phase transitions since the random walk does not depend on the temperature. To show how our simulation method overcomes the tunneling barrier between order and disorder phases at a 1st-order phase transition, we perform random walks to calculate the density of states for the 2D ten state Potts model  with nearest neighbor interactions on square lattices of size $`60L200`$. In Fig.4, we show the canonical distributions at the temperatures at which the peaks are of equal height. Because of the double peak structure of strongly 1st-order phase transitions , conventional Monte Carlo simulations are not efficient since it takes an extremely long time to tunnel from one peak to the other. Considering the valley which we find for $`L=200`$ is as deep as $`9\times 10^{10}`$, it is impossible for conventional Monte Carlo algorithms to overcome such a tunneling barrier with available computational resources.

All thermodynamic quantities we discussed so far are directly related to energy. It is also possible to calculate any quantities which may not directly relate to energy.  As an example, the order-parameter for the 2D Ising model can be calculated by $`|M(T)|=\underset{E}{}|M(E)|g(E)e^{\beta E}/\underset{E}{}g(E)e^{\beta E}`$ where $`M(E)`$ is the average value of the order-parameter at energy level $`E`$ during the random walk. The random walk is not restricted to energy space, and our algorithm can be applied to any other parameter space. To apply our algorithm to a new system, the only thing we need to know is the Hamiltonian. The algorithm can be optimized to estimate the relevant density of states to the property and temperature range of interest. This new Monte Carlo algorithm should be extremely useful for the study of the complex systems such as spin glass models  and protein folding problems  where the energy landscape is very rough and where it is already known that there are problems with other optimization algorithms.

We would like to thank C. K. Hu, N. Hatano, P. D. Beale, S. P. Lewis and H-B Schuttler for helpful comments and suggestions. The research project was supported by the National Science Foundation under Grant No. DMR-9727714.


text:
# UV observations of the galaxy cluster Abell 1795 with the optical monitor on XMM-NewtonBased on observations obtained with XMM-Newton, an ESA science mission with instruments and contributions directly funded by ESA Member States and the USA (NASA).

## 1 Introduction

The final fate of material in the centre of cooling flow clusters remains a mystery. Perhaps the most obvious end point for matter cooling out of the cooling flow is in stars, and it is indeed true that the cD galaxies in cooling flow clusters often have anomalously blue optical colours (e.g. Allen 1995), implying higher rates of star formation than normal. There is also a reported correlation between the amplitude and radial extent of the colour anomalies and the inferred mass accretion rate from X-ray measurements (McNamara & O’Connell 1992). However, much of the observations of star formation in clusters of galaxies is based on optical measurements, and so crucial information about the emission from early type, and therefore young, stars is missing. Unfortunately, UV observations of the cores of cooling flow clusters, where the emission from early type stars would be strongest, are relatively sparse (e.g. A1795 Smith et al. 1997, CL 0939+4713 Buson et al. 1998).

The cD galaxy in Abell 1795 has been extensively studied and shows a number of remarkable features, including extended nuclear emission line gas (Cowie et al 1983; Hu, Cowie & Wang 1985; Heckman et al. 1989), an unusual blue continuum (Hu 1992; Allen 1995) and filamentary structure in X-rays (Fabian et al. 2000). These properties have made it one of the best candidates for star formation arising from a cooling flow. Previous UV studies with UIT (Smith et al. 1997) have shown the presence of emission from early type stars in the cD galaxy with data that were consistent with either continuous star formation or a recent (4 Myr) burst of star formation.

Here we report on new multi-filter UV observations of the central 8 arcminutes of the cooling flow cluster Abell 1795 taken as part of an XMM-Newton PV observation. Other aspects of the XMM-Newton observations will be discussed elsewhere (Tamura et al. 2001, Arnaud et al. 2001)

## 2 OM data reduction

Abell 1795 was observed in the U (3000Å- 4000Å), UVW1 (2400Å- 3600Å), UVM2 (2000Å- 2600Å) and UVW2 (1800Å- 2400Å) filters (for more details of the optical monitor see Mason et al. 2001). The observations used the default configuration where the whole field of view is sampled using five individual exposures. Most of the field of view was sampled with 1 arcsecond pixels, but a small section (110 arcseconds by 110 arcseconds) of the central region of the field was continuously monitored at higher resolution (0.5 arcsecond pixels). This means different regions of the field of view have different total exposure times. The outer regions of the detector have the lower exposure times of U: 1.5 ksec, UVW1: 2.5 ksec, UVM2: 3.0 ksec, UVW2: 3.98 ksec. The central portions of the detector have longer exposure times of U: 7.5 ksec, UVW1: 12.5 ksec, UVM2: 15.0 ksec, UVW1: 19.9 ksec.

The data were processed using the SAS (v4.1) tasks written to analyse optical monitor data. To maximise the signal-to-noise we have summed all the data in a given detector window (area on the sky). This can be important in the UV where an individual exposure does not have enough counts to enable removal of mod-8 noise (see Mason et al. 2001). The sources were then detected on each individual window (using the SAS task OMDETECT). and the output sources lists where then edited by hand to remove sources caused by stray light in the OM (for details of instrumental artifacts see Mason et al. 2001). Further, sources whose background was strongly affected by stray light were re-extracted using an annular background estimate as a more robust method. This mainly affects the central few arcminutes of the field. The observed count rates were then converted into magnitudes using the derived OM calibration. In the case of the U filter, the instrumental magnitude was converted into Johnson U using a colour correction. Since there is no corresponding standard for the far UV filters, UVW1, UVM2 and UVW2 were kept in instrumental magnitudes. The estimated errors on the magnitude conversion are less than 0.05, derived from the latest OM calibration files.

In total, 284 sources were detected in the full $`17\times 17`$ arcminute field of view and the count rates were then converted to instrumental magnitudes. The identification of the sources via correlation with catalogs and detailed galaxy data will be presented in a follow-up paper.

## 3 Results

### 3.1 Colour-colour plots

With our final sample of 284 sources we have constructed magnitude-colour and colour-colour plots (see Figure 1). In the plots we have discriminated between point like and extended sources by looking at the distribution of the size of the major axis of the derived source ellipse. Since the measured FWHM in the UV is approximately 3 arcseconds anything with a FWHM greater than 4 arcseconds is considered extended. Point like sources are shown as crosses and extended sources are shown with a diamond. Two objects of special interest are shown by other symbols. The cD galaxy is represented by the filled diamond, and the emission feature 20 arcseconds south of the cD galaxy is represented by a square (see section 3.2 and 3.3). The derived detection limits determined from the background in each observation for each filter were U = 21.67, UVW1 = 21.74, UVM2 = 20.89 and UVW2 = 20.22. On the magnitude-colour plots the derived detection limits are shown as dashed lines and there is good agreement between the observed detection limits of the sources and the derived detection limits.

The colour-colour plots show the range of UV colours exhibited by the sources. The majority of the sources lie on well defined lines and the lower three panels show the position in the colour-colour plots of different stellar types (taken from Pickles (1998)) as well as a typical field galaxy spectrum. For clarity, the far UV colours for different stellar types are also listed in table 1. The apparently anomalous position of the O5 star is because the UV filters bracket the strong absorption dip at 2200Åcaused by the presence of a wind. All the spectra have been redshifted to the cluster redshift but do not include any correction for extinction. Marked on the plots are two curves showing the effect of reddening by a Galactic (solid) and a dusty galaxy (dotted) line (Witt et al. 1992). Most of the objects lie on or near the loci defined by the change in stellar spectral type. In general the point sources have the colours of F and G stars, and while it is unlikely that the extended sources will have single stellar like spectra, it at least allows an estimation of the dominant stellar type in the galaxies. As might be expected with the galaxies at the centre of Abell 1795, many of the extended sources have ‘red’ UV colours consistent with red galaxies. There are, however, a number of very blue points including a number of extended sources. The extended source seen at the extreme right in the UVW1-UVW2 and UVW1-UVM2 plot is a very bright galaxy affected by coincidence losses (see Mason et al. 2001). The cD galaxy and its associated UV blob also lie to the extreme right of the colour-colour plots.

### 3.2 The cD galaxy

Because we have colour data on the UV emission from the cD we can set limits on the number of young stars. If we make the assumption that all or most of the UVW2 emission (the bluest filter) arises from O stars (as was done by Smith et al. (1997)), then the estimated number of stars required to give the observed flux is approximately 12000. This estimate is unlikely to be affected by emission from an old stellar population since the effect is small, less that 2%. This is in approximate agreement with 18000 O stars estimated by Smith et al. (1997), where their data was taken in a far UV filter centred at 1520Å much further in the UV than UVW2, our bluest filter. However, both estimates are likely to be upper limits, since from figure 1 we would estimate that the cD galaxy has a UV spectrum redder than that of an early B or late type O star.

Figure 2 shows an image in sky coordinates of the cD galaxy taken in the U and UVW2 filters. In the U band the source shape is consistent with the data of McNamara & O’Connell (1993), with an ellipticity of 0.6 and position angle of 17 degrees. However, in detail there are likely to be problems with the scattered light in OM which make the background subtraction a non trivial exercise. Fortunately, the effect of this scattered light is strongly filter dependent and there are no serious background subtraction problems with the far UV filters. Looking in the far UV, the UVW2 image shows a relatively sharp discontinuity running north-source to the right of the cD galaxy centre. The only other UV image published on the central galaxy (Smith et al. 1997) also show a similar feature, although the spatial resolution of the data taken with the UIT was of the order of $`6.8^{\prime \prime }`$, about twice the nominal FWHM of OM in the UV filters ($`3^{\prime \prime }`$). Smith et al. explained this feature as due to the dust absorption seen in the HST data (Pinkney et al. 1996) but figure 2 shows that it appears on a larger scale than the dust lanes seen in the HST data.

The effect of dust affects our conclusions regarding the star formation history of the cD galaxy. Hu (1992) estimated the intrinsic extinction to the filament as $`E_{BV}=0.14`$ but with a wide range of possible values ($`0.02<E_{BV}<0.22`$). Allen (1995) has suggested that the value is closer to 0.22. Smith et al. (1997) concluded that after taking into account the effect of dust their UV data was consistent with either an old stellar population together with a single burst of star formation occurring approximately 2-5 Myr ago, or constant star formation over the last 5-10 Gyr. Figure 3 shows the position of the cD galaxy in the UVW2-UVW1, UVM2-UVW1 plane together with the position of different star formation models taken from Bruzual & Charlot (1993). We have concentrated on the far UV data to avoid any problem with the scattered light. For both models the different points on the plot corresponding to different ages after the burst of star formation with the relevant time shown next to the symbol. Also plotted on figure 3 are the lines of extinction from two different extinction laws, Galactic and a dusty galaxy model (Witt et al. 1992), and the arrow associated with the cD galaxy shows the effect of removing an old stellar population on the position of the cD galaxy. The end point of this track is where all the U band emission is from the old stellar population, an overestimate since the cD galaxy is known to be bluer than a standard elliptical galaxy. Unlike Smith et al. (1997), our far UV colours only seem to be consistent with a burst of star formation sometime between 50 and 200 Myrs ago (depending on extinction and removal of an old stellar population), and not with continuous star formation. However, all our UV filters are not as blue as the UV filter used by Smith et al., so it is possible that the UV spectrum is more complex than the simple models used here.

### 3.3 The UV blob

On the colour-colour plots (Figure 1) the bluest extended source in the whole field lies just south of the cD galaxy. This object can be seen in figure 2 as a blob of very blue emission approximately 20 arcseconds south of the cD galaxy. Its approximate coordinates are R.A.: 13 48 52.8 DEC: +26 35 33 which is accurate to 2-3 arcseconds. This blob is almost certainly the same feature as blob E seen in McNamara et al (1996) and it is therefore likely that it is part of the same filamentary structures seen in the deep U band imaging of McNamara et al (1996). However, with the OM data we can, for the first time, get estimates of its UV colours. Unlike the case for the cD galaxy, the colours of the blob (the filled square) are much more consistent with an early star spectrum (early B or late O star), implying that star formation is more recent in this object. Figure 3 shows the far UV colours of the UV blob compared with different star formation models. Given the relatively large error bars the UV colours are consistent with both types of extinction law together with a burst of star formation that started before 100 Myr ago, or continuous star formation. If we use the extinction assumed by Smith et al (1997) (EB-V = 0.14), then the maximum time scale for a single burst of star formation drops to within 10 Myrs, or to 100 Myr for continuous star formation. Since the blob is very blue in all colours, the implication is that star formation is very recent, with little evidence for an evolved stellar population, and must be related to some recent occurrence or phenomena at the centre of Abell 1795.

Again we can estimate the number of O or B stars required to give the observed flux, which is estimated as 1130 O stars or 4980 B stars. The implied UV luminosity from the O stars is then approximately $`1.2\times 10^{43}`$ ergs s-1. Of course again this is an upper limit to the UV luminosity since it assumes only O stars contribute to the flux. From these numbers we can then estimate a star formation rate of $`10M_{}`$ yr-1 (assuming the IMF of Miller & Scalo (1979)). This is still much less than the mass deposition rate from analysis of previous X-ray data of $`130M_{}`$ yr-1 (Fabian et al. 1994, Tamura et al. 2001). Again, extinction is very important in the UV and based on the extinction estimates (see section 3.2) we can increase the observed luminosities and therefore inferred star formation rates by a factor of 3, but still less than the X-ray rate.

There is a well known H$`\alpha `$ filament to the south of the cD galaxy (e.g. Cowie, Hu, Jenkins and York 1983) which is aligned in a north south direction. This blob lies close to the peak of the H$`\alpha `$ emission along the filament and so may be associated with it. However, comparing the relative fluxes makes it unlikely that these stars are solely responsible for the H$`\alpha `$ emission. At the peak of the H$`\alpha `$ emission the estimated flux was $`2\times 10^{16}`$ ergs cm-2 s-1 arcsec-2 for the H$`\alpha `$ \+ \[N II\] $`\lambda 6568`$Å complex. The approximate total size of the UV blob is 20 arcsec2 implying that the total H$`\alpha `$ \+ \[NII\] emission associated with the blob is $`4\times 10^{15}`$ ergs cm-2 s-1 or a luminosity of $`7\times 10^{40}`$ ergs s-1. Using the numbers quoted in Allen (1995) for the amount of H$`\alpha `$ emission from a single O5 star ($`6\times 10^{36}`$ ergs cm-2 s-1) gives $`5\times 10^{39}`$ ergs s-1 for all the stars in the blob. If we include the effect of extinction we would increase the observed UV flux and therefore the estimated luminosity of H$`\alpha `$, which then becomes $`1.5\times 10^{40}`$ ergs cm-2 s-1. This is still lower than the observed flux by a factor of four or so. Coupled with the fact that the estimation of the H$`\alpha `$ emission can be considered to be only an upper limit, it seems unlikely that all the H$`\alpha `$ emission can be powered by the observed UV flux seen in the OM data.

## 4 Discussion

### 4.1 The cD galaxy

As has been reported by Smith et al. (1997), UV data on the cD galaxy indicate that there is a population of young stars. The OM data is consistent with their result of a single burst of star formation, although the estimated timescale for the occurrence of this burst is longer than that derived by Smith at al. (1997). However, the OM filters and the one used by Smith et al. cover different wavebands, so any difference may be due to the object having a more complex spectrum than the simple models used for comparison. The cD galaxy also appears to have quite a lot of structure with an apparent colour gradient across the galaxy together with a discontinuity running north south seen in the far UV filters. A possible explanation for the discontinuity is obscuration by dust or gas blocking out the UV emission in that area. An estimate of the EB-V required to remove the UVW2 emission is $`0.16`$, twice the measured EB-V for the central portions of Abell 1795 as a whole. We therefore may be seeing obscuring material on much large scales than the reported dust lanes seen with HST data (Pinkney et al. 1996). While the resolution of OM is insufficient to make a direct link between the HST data and OM data, it is possible that the UV obscuration seen with OM is related to these dust lanes, since both the dust lanes and the UV absorption lie on the same side of the cD galaxy. The OM data may therefore be tracking dust or gas out to a larger radius than was possible with the HST data because the UV filters are uniquely sensitive to extinction.

### 4.2 The UV blob

The UV blob is potentially the most interesting object seen in the data. For a start it gives us the possibility of studying the star formation at the centre of a cooling flow cluster without the central cD galaxy getting in the way. The UV colours imply not only the presence of young stars, but there is little evidence of an evolved stellar population expected from an elliptical galaxy. It is therefore possible that the blob is the consequence of recent star formation alone, without a pre-existing stellar population. It is also located very close to, or within the filamentary structure seen in both H$`\alpha `$ and deep U band imaging, although since the positions obtainable from OM at the present moment are somewhat uncertain an exact positional match is not possible. From the measurements discussed above it seem unlikely that all of the H$`\alpha `$ emission is powered from the UV light seen in the OM data, with at least a factor of 4-5 discrepancy between the observed flux and that required for the H$`\alpha `$ emission. However, some of the H$`\alpha `$ emission may arise from shocked gas (e.g. Anton 1993) and it has been suggested that cooling material from the cooling flow could contribute to the ionising flux (e.g. Voit & Donahue 1990). It is also not clear from the OM data whether there is further UV emission along the tail since there is not sufficient signal-to-noise. The emission at the peak of the blob in the UVW2 filter is at about $`1.8\times 10^3`$ counts s-1 arcsec-1 or 7 $`\sigma `$ above background so a factor of 2 decrease in flux would make it hard to see any residual emission. In the other filters, such as UVW1, the significances are greater but the scattered light component is also stronger making it impossible to be sure than any connecting emission is real.

There is also X-ray emission associated with the H$`\alpha `$ filament which has been seen by Chandra (Fabian et al. 2000). Not only is there filamentary structure seen in X-rays but it also appears that the brightest point on the X-ray filament is coincident with the centroid of the overall X-ray emission. Comparison with the Chandra data then implies that the UV blob is also coincident with this point and so the UV blob is at or near the centre of the gravitational potential. At this location we might expect a general reservoir of matter which can form stars. On the other hand the cD galaxy appears offset relative to the centre gravitational well and observations have also shown that the cD galaxy does not appear to be at rest in the gravitational potential of the cluster but has a peculiar velocity of about 150 km s-1 (Oegerle & Hill 1994). Therefore, it is likely that star formation has occurred very recently in this source (see figure 3) and that this star formation could have been triggered by the motion of the cD galaxy. If we assume as Smith et al. did that the extinction is close to an EB-V of 0.14, the data implies that a single burst would have occurred before 10 million years ago. The approximate minimum distance of the cD galaxy from the UV blob is approximately 24 kpc setting a lower limit to the estimated average velocity of 2300 km s-1 or for continuous star formation models of 230 km s-1. The observed radial velocity is $`150`$ km s-1. It is therefore possible that the motion of cD galaxy could have shocked gas, triggering either star formation in a single burst or continuously. Of course, in order for stars to form there must be sufficient cold material to generate stars, perhaps generated by a cooling wake (e.g. David et al. 1994) or from the cooling flow itself.

## 5 Conclusions

The XMM-Newton OM data have illustrated the usefulness of UV observations in studying populations of early type stars in clusters of galaxies. We have set constraints on models of star formation at the centre of Abell 1795 and have also detected the presence of extra extinction in the cD galaxy. We have also presented the first UV observations of emission from the filament seen in deep U band images and in H$`\alpha `$ to the south of the cD galaxy. In particular the observations of the central regions of Abell 1795 have highlighted a population of early type stars located at or near the centre of the gravitational potential that is most likely the consequence of recent star formation. While the exact significance of this in terms of detailed models of material cooling out of the intercluster medium is not yet clear, these data should, in combination with optical/IR data, provide constraints on the timescale and rate of star formation from the intercluster medium itself.


text:
# 1 Light hadron fragmentation functions.

SLAC-PUB-8658

OUNP-2000-04

October 2000

Studies of Hadronic Decays of $`Z^0`$ Bosons

at SLD

P.N. Burrows

Particle Physics, Oxford University,

Keble Rd., Oxford, OX1 3RH, UK

Representing

The SLD Collaboration∗∗

Stanford Linear Accelerator Center

Stanford University, Stanford, CA94309

The latest SLD results on light-quark fragmentation and tests of hadronisation models are presented.

Presented at the XXX International Conference on High Energy Physics

Osaka, Japan, 27 July - 2 August 2000

$``$ Work supported by Department of Energy contract DE-AC03-76SF00515.

E-mail: p.burrows@physics.ox.ac.uk

We have a poor understanding of hadronisation in terms of quantitative predictions from QCD. Phenomenological models provide useful insights, but no model accounts successfully for all the observed features of jet fragmentation. Heavy jet fragmentation is relatively well understood; the quark mass provides a cutoff against divergences, allowing pQCD calculations to be performed. Also, the decay signatures of B or D hadrons allow high-purity b or c jet samples to be identified with high efficiency. The study of u, d or s-jet fragmentation is less tractable both theoretically and experimentally: the quark masses are comparable with $`\mathrm{\Lambda }_{QCD}`$, leading (and non-leading) light hadrons ($`\pi `$, K, p, $`\mathrm{}`$) can be produced in jets of any flavour, making the isolation of u,d or s-jets problematic; a dedicated particle i.d. system is required to identify these light hadron species.

The clean $`Z^0`$ $``$$`\mathrm{u}\overline{\mathrm{u}}`$ , $`\mathrm{d}\overline{\mathrm{d}}`$ , $`\mathrm{s}\overline{\mathrm{s}}`$ , $`\mathrm{c}\overline{\mathrm{c}}`$ , $`\mathrm{b}\overline{\mathrm{b}}`$ events provided by SLC are ideal for quark fragmentation studies; updated results presented here are based on the complete sample of 550k $`Z^0`$ decays recorded by SLD. The unique CCD vertex detector allows high-purity b/c/uds/g jet separation with good efficiency. The unique polarised SLC electron beam allows quark/antiquark jet separation with a purity of 73% and 100% efficiency. The Cerenkov Ring Imaging Detector allows $`\pi ^\pm `$/K±/p± separation within $`0.5p35`$ GeV/$`c`$.

Our light-hadron fragmentation functions in inclusive-flavour jets are shown in Fig. 1; the momentum coverage spans the kinematic range in $`Z^0`$ decays. The dependence on primary jet flavour is illustrated in Fig. 2, in terms of $`\xi `$=ln$`(1/x_p)`$; the peak position and height depend strongly on jet flavour, implying that light and heavy jets should be separated before performing pQCD fits to these distributions.

The ratio of heavy- to light-jet $`\pi ^\pm `$, K± or p± fragmentation functions is compared with model predictions in Fig. 3; HERWIG, in particular, has difficulty reproducing these ratios. Hadron (h) and antihadron ($`\overline{\mathrm{h}}`$) fragmentation functions in light-quark jets are shown separately in Fig. 4; the excess of h over $`\overline{\mathrm{h}}`$ at high $`x_p`$ is an indication of leading-particle production.

We have studied correlations in rapidity ($`y`$) between pairs of hadron species. The excess of opposite-charge over like-charge (high-$`p`$) pairs at small $`\mathrm{\Delta }y`$ (Fig. 5) indicates local charge compensation in the fragmentation process. The excess at large $`\mathrm{\Delta }y`$ (most noticeable for the K±) is further evidence of leading-particle production. We observe a significant hadron-species and jet-flavour dependence of these long-range correlations. We have defined a new observable, the rapidity distribution for the case in which the thrust axis is signed to point in the quark direction. These distributions for h and $`\overline{\mathrm{h}}`$ are noticeably different, indicating a preference for high-rapidity h ($`\overline{\mathrm{h}}`$) to point along (against) the quark direction, again an indicator of leading particles. This effect can be enhanced by considering the distribution of the charge-ordered difference in rapidity between opposite-sign and like-sign pairs of $`\pi ^\pm `$, K± or p±; details are given in ref..

We have exploited the overwhelming evidence in our data for a leading strange-particle effect to measure directly the EW coupling of the s-quark to the $`Z^0`$ , via the polarised forward-backward asymmetry of strange-hadron production. We find $`A_s=0.895\pm 0.066\pm 0.062`$.

Work supported by Department of Energy contracts: DE-FG02-91ER40676 (BU), DE-FG03-91ER40618 (UCSB), DE-FG03-92ER40689 (UCSC), DE-FG03-93ER40788 (CSU), DE-FG02-91ER40672 (Colorado), DE-FG02-91ER40677 (Illinois), DE-AC03-76SF00098 (LBL), DE-FG02-92ER40715 (Massachusetts), DE-FC02-94ER40818 (MIT), DE-FG03-96ER40969 (Oregon), DE-AC03-76SF00515 (SLAC), DE-FG05-91ER40627 (Tennessee), DE-FG02-95ER40896 (Wisconsin), DE-FG02-92ER40704 (Yale); National Science Foundation grants: PHY-91-13428 (UCSC), PHY-89-21320 (Columbia), PHY-92-04239 (Cincinnati), PHY-95-10439 (Rutgers), PHY-88-19316 (Vanderbilt), PHY-92-03212 (Washington); The UK Particle Physics and Astronomy Research Council (Brunel, Oxford and RAL); The Istituto Nazionale di Fisica Nucleare of Italy (Bologna, Ferrara, Frascati, Pisa, Padova, Perugia); The Japan-US Cooperative Research Project on High Energy Physics (Nagoya, Tohoku); The Korea Research Foundation (Soongsil, 1997).

$``$ List of authors

Koya Abe,(24) Kenji Abe,(15) T. Abe,(21) I. Adam,(21) H. Akimoto,(21) D. Aston,(21) K.G. Baird,(11) C. Baltay,(30) H.R. Band,(29) T.L. Barklow,(21) J.M. Bauer,(12) G. Bellodi,(17) R. Berger,(21) G. Blaylock,(11) J.R. Bogart,(21) G.R. Bower,(21) J.E. Brau,(16) M. Breidenbach,(21) W.M. Bugg,(23) D. Burke,(21) T.H. Burnett,(28) P.N. Burrows,(17) A. Calcaterra,(8) R. Cassell,(21) A. Chou,(21) H.O. Cohn,(23) J.A. Coller,(4) M.R. Convery,(21) V. Cook,(28) R.F. Cowan,(13) G. Crawford,(21) C.J.S. Damerell,(19) M. Daoudi,(21) S. Dasu,(29) N. de Groot,(2) R. de Sangro,(8) D.N. Dong,(13) M. Doser,(21) R. Dubois, I. Erofeeva,(14) V. Eschenburg,(12) E. Etzion,(29) S. Fahey,(5) D. Falciai,(8) J.P. Fernandez,(26) K. Flood,(11) R. Frey,(16) E.L. Hart,(23) K. Hasuko,(24) S.S. Hertzbach,(11) M.E. Huffer,(21) X. Huynh,(21) M. Iwasaki,(16) D.J. Jackson,(19) P. Jacques,(20) J.A. Jaros,(21) Z.Y. Jiang,(21) A.S. Johnson,(21) J.R. Johnson,(29) R. Kajikawa,(15) M. Kalelkar,(20) H.J. Kang,(20) R.R. Kofler,(11) R.S. Kroeger,(12) M. Langston,(16) D.W.G. Leith,(21) V. Lia,(13) C. Lin,(11) G. Mancinelli,(20) S. Manly,(30) G. Mantovani,(18) T.W. Markiewicz,(21) T. Maruyama,(21) A.K. McKemey,(3) R. Messner,(21) K.C. Moffeit,(21) T.B. Moore,(30) M. Morii,(21) D. Muller,(21) V. Murzin,(14) S. Narita,(24) U. Nauenberg,(5) H. Neal,(30) G. Nesom,(17) N. Oishi,(15) D. Onoprienko,(23) L.S. Osborne,(13) R.S. Panvini,(27) C.H. Park,(22) I. Peruzzi,(8) M. Piccolo,(8) L. Piemontese,(7) R.J. Plano,(20) R. Prepost,(29) C.Y. Prescott,(21) B.N. Ratcliff,(21) J. Reidy,(12) P.L. Reinertsen,(26) L.S. Rochester,(21) P.C. Rowson,(21) J.J. Russell,(21) O.H. Saxton,(21) T. Schalk,(26) B.A. Schumm,(26) J. Schwiening,(21) V.V. Serbo,(21) G. Shapiro,(10) N.B. Sinev,(16) J.A. Snyder,(30) H. Staengle,(6) A. Stahl,(21) P. Stamer,(20) H. Steiner,(10) D. Su,(21) F. Suekane,(24) A. Sugiyama,(15) A. Suzuki,(15) M. Swartz,(9) F.E. Taylor,(13) J. Thom,(21) E. Torrence,(13) T. Usher,(21) J. Va’vra,(21) R. Verdier,(13) D.L. Wagner,(5) A.P. Waite,(21) S. Walston,(16) A.W. Weidemann,(23) E.R. Weiss,(28) J.S. Whitaker,(4) S.H. Williams,(21) S. Willocq,(11) R.J. Wilson,(6) W.J. Wisniewski,(21) J.L. Wittlin,(11) M. Woods,(21) T.R. Wright,(29) R.K. Yamamoto,(13) J. Yashima,(24) S.J. Yellin,(25) C.C. Young,(21) H. Yuta.(1)

(1)Aomori University, Aomori, 030 Japan, (2)University of Bristol, Bristol, United Kingdom, (3)Brunel University, Uxbridge, Middlesex, UB8 3PH United Kingdom, (4)Boston University, Boston, Massachusetts 02215, (5)University of Colorado, Boulder, Colorado 80309, (6)Colorado State University, Ft. Collins, Colorado 80523, (7)INFN Sezione di Ferrara and Universita di Ferrara, I-44100 Ferrara, Italy, (8)INFN Laboratori Nazionali di Frascati, I-00044 Frascati, Italy, (9)Johns Hopkins University, Baltimore, Maryland 21218-2686, (10)Lawrence Berkeley Laboratory, University of California, Berkeley, California 94720, (11)University of Massachusetts, Amherst, Massachusetts 01003, (12)University of Mississippi, University, Mississippi 38677, (13)Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, (14)Institute of Nuclear Physics, Moscow State University, 119899 Moscow, Russia, (15)Nagoya University, Chikusa-ku, Nagoya, 464 Japan, (16)University of Oregon, Eugene, Oregon 97403, (17)Oxford University, Oxford, OX1 3RH, United Kingdom, (18)INFN Sezione di Perugia and Universita di Perugia, I-06100 Perugia, Italy, (19)Rutherford Appleton Laboratory, Chilton, Didcot, Oxon OX11 0QX United Kingdom, (20)Rutgers University, Piscataway, New Jersey 08855, (21)Stanford Linear Accelerator Center, Stanford University, Stanford, California 94309, (22)Soongsil University, Seoul, Korea 156-743, (23)University of Tennessee, Knoxville, Tennessee 37996, (24)Tohoku University, Sendai, 980 Japan, (25)University of California at Santa Barbara, Santa Barbara, California 93106, (26)University of California at Santa Cruz, Santa Cruz, California 95064, (27)Vanderbilt University, Nashville,Tennessee 37235, (28)University of Washington, Seattle, Washington 98105, (29)University of Wisconsin, Madison,Wisconsin 53706, (30)Yale University, New Haven, Connecticut 06511.