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# Simple Model of Capillary Condensation in porous media.

## I  Introduction

The physics of adsorption in porous media has long been appreciated for its considerable importance in diverse applications, including gas storage, separations and cryopumping. In addition, the geometry provokes intriguing fundamental questions about the properties of phases of the adsorbate, for which the surface curvature energy plays a prominent role . An ongoing question pertains to the validity of numerous simple quasi-two or one dimensional models which omit the heterogeneity present in most such media.  Moreover, there remains a fundamental question about the nature and existence of genuine phase transitions in such disordered media.

In this paper, we attempt to answer qualitative questions about the nature of such adsorption by employing a simple model of the geometry that we study with a simple calculational procedure. The geometry is shown in figure 1 and described in detail below. The procedure is called a “simple model” in a number of papers published over the last decade . In the model, the system’s energy is taken as a straightforward sum of bulk energy, surface energy and gas-solid interaction energy terms. The model is certainly oversimplified; yet it has provided answers to questions about similar adsorption problems which agree rather well with results obtained in more reliable (even “exact”) studies of the same problem. The rationale for applying the present approach is that the results may yield broad trends which are robust, at least qualitatively. In the present case, our results are phase diagrams for which a key parameter is the porosity $`\mathrm{\Phi }`$ of the system. As expected, the physics of pore filling involves a competition between adhesive and cohesive forces. As such, the results of our calculations are sensitive to assumptions we make about the gas-surface interaction. In the present case, both these assumptions and the calculational results are analogous to those found in the problem of wetting transitions.

## II The model

We propose a simple model consisting of infinitely long, solid, parallel cylinders of radius $`R=30\AA `$. The centers of the cylinders form a square lattice and the distance between sites, $`S`$, is related to $`\mathrm{\Phi }`$ by the equation

$$\mathrm{\Phi }=1\frac{\pi R^2}{S^2}.$$
(1)
The configuration is depicted in Fig. 1, where is also shown the triangular unit cell considered in the calculations. The interaction between the adsorbed atoms and the substrate is approximated by the sum of the potentials from the four cylinders that are closest to the unit cell. The potential due to each single cylinder, $`V`$, was constructed assuming cylindrical symmetry so that it is a function of the distance to the axis only ($`r`$). The following function $`V(r)`$ reproduces both the potential of a flat substrate (which has often been modeled as $`4C_3^3/(27D^2z^9)C_3/z^3`$, $`z`$ being the distance from the surface) for $`rR`$ and the potential of an infinite wire for $`rR`$,

$$V(r)=\frac{4C_3^3}{27D^2}\frac{1}{(rR)^9}\frac{C}{(C/C_3R^2+r^2)(rR)^3},$$
(2)
where $`D`$ and $`C_3`$ are the well depth and van der Waals parameters respectively  and $`C=9\frac{\pi }{4}C_3R^2`$. We adopted values displayed in table LABEL:tabla that are intermediate between the strongly attractive graphite and the weakly attractive alkali metals. The form of $`V(r)`$ and the total interaction considering four cylinders are plotted in Fig. 2.

Atoms adsorbed in this material below saturated vapor pressure are expected to form either a film adsorbed on the wall of the substrate, or a condensed phase (C) filling all the free space. Which of the two phases is stable can be determined by evaluating and comparing the free energies. If the film is stable, and the porosity is moderately low ($`<`$50%), the fluid may form bridges or “necks” between neighboring cylinders (see Fig. 3). We will refer to this configuration as “necking” (N), and apply the term “film” (F) to the case where no necks are formed. The letter E refers to the empty pore configuration. This actually means the presence of a low density vapor phase, which is “empty” only by contrast to the higher density liquid phase.

For a given value of the chemical potential $`\mu `$ below saturation ($`\mu _0`$), we evaluate the grand free energy per unit length

$$\mathrm{\Omega }=F/L\mu N/L.$$
(3)
$`F`$ is the Helmholtz free energy, consisting of the substrate-fluid interaction, a bulk free energy and the surface energy. Assuming translational symmetry along the coordinate parallel to the axis of the cylinders, $`z`$, the grand free energy per unit length of the fluid contained in the unit cell is, for the phase C

$$\mathrm{\Omega }_C=n_0^{\pi /4}𝑑\varphi _{r_{min}}^{S/(2\mathrm{cos}(\varphi ))}V(r)r𝑑rn(\mu \mu _0)(S^2\pi r_{min}^2)/8+\sigma \frac{\pi }{4}r_{min}.$$
(4)
Here $`\sigma `$ and $`n`$ are the bulk surface tension and number density of the fluid at a given temperature, and $`r_{min}`$ is a cutoff distance, chosen as the radius where the potential due to a single cylinder is minimum. We are taking the surface tension for the solid-liquid interface to consist of the sum of the liquid-vapor interfacial tension and the integrated solid-fluid potential energy. In this model, we are assuming that a fluid of density $`n`$ fills all the available space homogeneously , except the region $`r<r_{min}`$. For the phase F we consider a homogeneous film of density $`n`$ formed between $`r_{min}`$ and $`r_e(\varphi )`$, the energy reads

$$\begin{array}{cc}\mathrm{\Omega }_F=\hfill & n_0^{\pi /4}𝑑\varphi _{r_{min}}^{r_e(\varphi )}V(r)r𝑑r+\sigma _{\varphi _N}^{\pi /4}𝑑\varphi \sqrt{r_e(\varphi )^2+r_e^{}(\varphi )^2}\hfill \\ & \frac{1}{2}n(\mu \mu _0)_0^{\pi /4}𝑑\varphi (r_e(\varphi )^2r_{min}^2)+\sigma \frac{\pi }{4}r_{min},\hfill \end{array}$$
(5)
where $`r_e(\varphi )`$ is the equilibrium profile, and $`\varphi _N`$ is the angle subtended by the neck (see Fig. 3) if present, taken to be zero for a film. A prime in this expression means a derivative with respect to $`\varphi `$.

By minimizing the energy $`\mathrm{\Omega }_F`$, we get a differential equation for $`r_e(\varphi )`$:

$$\mu \mu _0V[r_e(\varphi )]=\frac{\sigma }{nR[r_e(\varphi )]},$$
(6)
where $`R[r_e(\varphi )]`$ is the radius of curvature,

$$R[r(\varphi )]=\frac{(r(\varphi )^2+r^{}(\varphi )^2)^{3/2}}{2r^{}(\varphi )^2+r(\varphi )(r(\varphi )r^{\prime \prime }(\varphi ))}$$
(7)
Notice that if the surface tension is small the right hand side of eq. 6 can be neglected and the following condition results

$$V[r_e(\varphi )]=\mu \mu _0.$$
(8)
This is the equation for the equipotential curves; its use corresponds to the venerable Polanyi theory of adsorption . In the present study, we use this relation, instead of solving eq.6, because it greatly simplifies the calculation. The approximation is good in a range of chemical potential such that

$$\mu _0\mu \sigma /nR[r_e(\varphi )]$$
(9)
for all $`\varphi `$. It will be shown below that in the case of He, the relevant values of $`\mu `$, where we find phase transitions, fulfill this condition. For Ar, that is not the case at temperatures close to the triple point (i.e., when the surface tension is maximum). These behaviors will be discussed in the next section.

## III Results

In Fig. 4 a) we display the grand free energy of the phases F and C for Ar at $`T=130K`$ and porosity $`\mathrm{\Phi }=0.42`$, which corresponds to a separation $`d=10\AA `$ between the cylinders. Observe that $`\mathrm{\Omega }_C`$ and $`\mathrm{\Omega }_F>0`$ for $`\delta \mu ^{}=(\mu \mu _0)/ϵ<1.7`$; hence the empty phase is stable in this regime. However $`\mathrm{\Omega }_F<\mathrm{\Omega }_C`$ and $`\mathrm{\Omega }_F<0`$ for $`1.7<\delta \mu ^{}<0.28`$, so the film is stable there, while for $`\delta \mu ^{}>0.28`$ the completely filled phase is stable. In Fig. 4 b) we plot the corresponding isotherm, together with the derivative $`dN/d\mu `$. The steps in the isotherm correspond to the transitions E$``$F and N$``$C, and the peak in $`dN/d\mu `$ corresponds to the transition F$``$N . From similar analysis for different porosities, we construct the phase diagram shown in Fig. 5. The line of the phase diagram is dotted in the region where the condition given by eq. 9 fails, according to the following criterion: in the case of films the quantity $`\sigma /nR[r_e]`$ will be smaller than $`\sigma /nr_{min}\delta \mu _{min}^{}`$, so we consider that the condition (9) is fulfilled if $`\delta \mu ^{}<10\delta \mu _{min}^{}`$. In the case of necking, the curvature radius for $`\varphi \varphi _N`$ is not necessarily larger than $`r_{min}`$ and therefore $`r_{eq}(\varphi \varphi _N)`$ is poorly determined. However, the error introduced to the energy by this difference in the profile is expected to be small. For temperatures closer to the triple point, the surface tension (and therefore $`\delta \mu _{min}^{}`$) is larger, and the transitions occur at values of $`\mu `$ such that $`\delta \mu ^{}>10\delta \mu _{min}^{}`$, so the analysis done using eq. 8 becomes meaningless for such low temperatures. As is seen in Fig. 5, the phase N is possible only for very low porosities (small $`d`$), where the volume-filling “price” of necking is smaller. The upper part of the diagram is qualitatively equivalent to the one obtained for a slab with large separation between walls. (see Fig.4 in ref. )

The corresponding energies calculated for He are shown in Fig. 6 for two different temperatures and $`\mathrm{\Phi }=0.42`$, together with the components of $`\mathrm{\Omega }_F`$, on the right. By means of the same procedure described above for Ar, we derived the phase diagrams displayed in fig. 7. The scenario is the same as for Ar. Comparing the results for $`T=0`$ K and 3 K, we notice that at higher temperature there is a wider region where F is stable. This can be explained in terms of the values of the surface tension: for T=3 K, $`\sigma /n`$ is $`30\%`$ smaller than for T=0 K. This is evident in Fig. 6, on the right, where we can see that the contribution of the surface energy to $`\mathrm{\Omega }_F`$ is more important for T=0 K than for 3 K. As a consequence, the phase F, that requires the formation of an interface, is more favorable at higher temperatures. For Ar, the region of the phase diagram corresponding to the phase F is even narrower, as is expected since the surface energy relative to the substrate potential energy (in relative terms) is larger for Ar than for He at any temperature.

## IV Comments

In this paper we have derived the phase behavior for gases exposed to an array of parallel cylindrical strands of material. Using a number of simplifying assumptions, this calculation yields a kind of generic behavior, exemplified by the similarity of the behavior predicted for a classical fluid (Ar) and an extreme quantum fluid (4He). The behavior is such that low porosity ($`\mathrm{\Phi }<0.4`$) geometries exhibit a necking transition at low chemical potential, followed by capillary condensation. For a narrow range of intermediate porosity ($`0.4<\mathrm{\Phi }<0.5`$), the behavior is different: a thin film forms, followed by necking (with a singular derivative but no discontinuity in the isotherm), followed by capillary condensation. At porosity $`\mathrm{\Phi }>0.5`$, there is a transition from film to capillary condensation and necking does not occur at any chemical potential. We note that the Kelvin equation does not agree with the present results for the threshold of capillary condensation. This discrepancy is well known from similar studies of small pores, due to the equation’s neglect of the substrate potential and the resulting depleted density region near the wall (so that the pore radius is ill-defined).

This research has been funded in part by the Army Research Office, the Petroleum Research Fund, the American Chemical Society, CONICET and the University of Buenos Aires.


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# Two-dimensional Distributions and Column Densities of Gaseous Molecules in Protoplanetary Disks II.

## 1 INTRODUCTION

Protoplanetary disks are formed around young stellar objects as the stars are created, and are birthplaces of planetary systems. Molecular evolution in protoplanetary disks is important because it can reveal the chemical connection between planetary and interstellar matter. Since chemical abundances are determined by physical parameters such as temperature and density, studies of molecular evolution in protoplanetary disks can also be of help in determining the structure and physical evolution of the disks from the molecular line observations.

In recent years it has become possible to detect molecular lines in protoplanetary disks by radio astronomy. Aperture-synthesis images have directly revealed gaseous CO disks, which are in Keplerian rotation (Kawabe et al. 1993; Koerner et al. 1993; Dutrey et al. 1994; Koerner & Sargent 1995; Saito et al. 1995; Guilloteau & Dutrey 1998). In addition to the CO studies, Dutrey et al. (1997) surveyed other molecular lines in the disks around DM Tau and GG Tau using the IRAM 30 m telescope. These stars, with ages $`\mathrm{1\hspace{0.33em}10}^6`$ yr and $`\mathrm{3\hspace{0.33em}10}^5`$ yr respectively (Beckwith et al. 1990; Handa et al. 1995), have large gaseous disks with radii $`800`$ AU. The molecular line spectra detected towards the two stars are similar despite the fact that the disk around GG tau is circumbinary. The averaged fractional abundances of gaseous CO, CN, CS, HCN, HNC, H2CO, C2H, and HCO+ were reported by Dutrey et al. (1997), who found that the abundances of heavy-element-containing molecules relative to hydrogen are lower than those in molecular clouds by factors of 10-100, and relative abundances among heavy molecules are also different. Specifically, the abundance ratio of CN to HCN is much higher in disks than in molecular clouds.

In order to reveal the chemical and physical causes for these differences, Aikawa & Herbst (1999a) (hereinafter Paper I) investigated the two-dimensional distribution of molecules in a disk by calculating molecular concentrations from a network of chemical reactions. They found molecular abundances to vary with height $`Z`$ from the midplane. At larger radii ($`R>100`$ AU), which contribute most to the molecular emission lines because of the large area, the temperature is so low ($`T10`$ K), that most molecules, except for H2 and He, are partially adsorbed onto grains to form ice mantles. In the midplane region ($`Z0`$) molecular depletion is the most effective because disks are in hydrostatic equilibrium in the vertical direction, and the density is the highest in the midplane region.

In regions above and below the midplane, significant amounts of molecules remain in the gas phase because of lower densities, and because of non-thermal desorption, which is caused by cosmic rays and/or radiation (ex. X-rays) from the interstellar field and the central star. Aikawa & Herbst (1999a) suggested that the observed molecular lines come mostly from this region. There is a height distinction between stable molecules and radicals, however. In the surface (uppermost) region of a disk, radicals such as CN are very abundant because of photodissociation via UV radiation. The molecular column densities obtained in Paper I by integrating over height are in reasonable agreement with observation; molecular depletion in the midplane explains the low average abundance of heavy-element-containing species relative to hydrogen, and the high abundance ratio of CN to HCN is caused by photochemistry in the surface region. It is clear that consideration of the 2-D distribution of molecules is essential in order to interpret the observed molecular line intensities.

In this paper we present two extensions of the work in Paper I. Firstly, we include deuterium chemistry in the 2-D disk model. Since the line survey by Dutrey et al. (1997), further searches for molecular lines in protoplanetary disks have been conducted by several groups of observers. One of the most interesting results is the detection of deuterated species in the disk of LkCa15 (Qi et al. 1999; Qi 2000). The average DCN/HCN ratio is estimated to be about 0.01, which is much higher than the D/H elemental abundance ratio of $`\mathrm{1.5\hspace{0.33em}10}^5`$. Aikawa & Herbst (1999b) showed that a high D/H ratio in a disk is a natural outcome of the incorporation of interstellar material to the protoplanetary disk and a low temperature disk chemistry, which is similar to cloud chemistry. They were concerned, however, only with icy material in the midplane region, and did not predict column densities for deuterated gaseous molecules. A two-dimensional disk model with deuterium chemistry and comparison with observation should be helpful in constraining the physical properties of the disk, such as temperature. Such a theoretical model should also be useful in guiding searches for other deuterated molecules. The results presented here fulfill these expectations, at least partially.

Secondly, we consider disks that are embedded in molecular clouds or circumstellar envelopes. Up to now, molecular line observations of disks have been successful only in cases where a disk is removed from molecular clouds or where the system velocity is quite different from the cloud velocity. Most disks, which presumably are embedded in cloud gas or circumstellar envelopes, are hard to observe via molecular lines because of contamination with ambient gas. If we were able to predict which molecules could selectively trace disk gas, the species could be used to search for embedded gaseous disks, and so permit more statistically reliable arguments on disk properties, such as their size and time scales of gaseous dissipation.

The rest of the paper is organized as follows. In §2 we describe our model of protoplanetary disks and the chemical reaction network we utilize. Numerical results on the distribution of molecular abundances, the column density ratio of deuterated and normal species, and the dependence of D/H ratios on selected physical properties of disks are discussed in §3. In §4, we report our investigation of molecular abundances in disks that are embedded in ambient gas, and discuss which, if any, molecular lines can be used as disk tracers. We summarize our results in §5.

## 2 Model

### 2.1 Disk Model

As in Paper I, we have adopted simple static disk models – the Kyoto model (Hayashi 1981) extrapolated to 700 AU, and a model in which the mass and density are lowered by an order of magnitude. The lower mass model is similar to that adopted by Dutrey et al. (1997), with which they estimate the averaged molecular abundances in DM Tau. The total disk mass is about $`\mathrm{6\hspace{0.33em}10}^2M_{}`$ for the extended Kyoto model, and $`\mathrm{6\hspace{0.33em}10}^3M_{}`$ for the lower mass model. Although much work has been undertaken to formulate the structure and physical evolution of protoplanetary disks (Cameron 1973; Hayashi 1981; Adams & Lin 1993, and references therein), there is still no obvious standard model. The main goal of this paper is to comprehend the essential characteristics of deuterium chemistry in a protoplanetary disk using simple disk models.

The details of the Kyoto model are described in Paper I. The column density of hydrogen nuclei $`\mathrm{\Sigma }_\mathrm{H}`$ (cm-2) and the temperature $`T`$(K) as functions of $`R`$ are given by the equations

$`\mathrm{\Sigma }_\mathrm{H}(R)`$ $`=`$ $`\mathrm{7.2\hspace{0.33em}10}^{23}\left({\displaystyle \frac{R}{100\mathrm{A}\mathrm{U}}}\right)^{3/2}`$ (1)
$`T(R)`$ $`=`$ $`28\left({\displaystyle \frac{R}{100\mathrm{A}\mathrm{U}}}\right)^{1/2}\left({\displaystyle \frac{L_{}}{L_{}}}\right)^{1/4}.`$ (2)
The luminosity of the central star $`L_{}`$ is assumed to be 1 $`L_{}`$ in this paper. It is assumed for simplicity that the disk is isothermal at each radius.

The gas is in hydrostatic equilibrium in the vertical direction. From the mass distribution given by equation (1) and the temperature distribution given by equation (2), the density distribution by number of hydrogen nuclei (cm-3) can be shown to be

$`n_\mathrm{H}(R,Z)`$ $`=`$ $`\mathrm{1.9\hspace{0.33em}10}^9\left({\displaystyle \frac{R}{100\mathrm{A}\mathrm{U}}}\right)^{11/4}\mathrm{exp}\left({\displaystyle \frac{GM_{}\mu m_\mathrm{H}}{RkT}}\right)`$ (3)
$`\times `$ $`\mathrm{exp}\left[{\displaystyle \frac{GM_{}\mu m_\mathrm{H}}{kT(R^2+Z^2)^{1/2}}}\right]`$
where $`G`$ is the gravitational constant, $`\mu `$ is the mean molecular weight of gas, $`m_\mathrm{H}`$ is the mass of a hydrogen atom, and $`k`$ is the Boltzmann constant. Since the disk mostly consists of H2 and He, the mean molecular weight $`\mu `$ is 2.37, with the elemental abundances of Anders & Grevesse (1989). The mass of the central star $`M_{}`$ is assumed to be $`1M_{}`$.

### 2.2 Reaction Network

The basic equations for molecular evolution are given by

$$\frac{dn(i)}{dt}=\underset{j}{}\alpha _{ij}n(j)+\underset{j,k}{}\beta _{ijk}n(j)n(k),$$
(4)
where $`n(i)`$ is the number density of species $`i`$, and the $`\alpha _{ij}`$ and $`\beta _{ijk}`$ are rate coefficients. We use the “new standard model” network of chemical reactions for the gas-phase chemistry (Terzieva & Herbst 1998; Osamura et al. 1999). The ionization rate by cosmic rays is assumed to be the “standard” value for molecular clouds, $`\zeta =\mathrm{1.3\hspace{0.33em}10}^{17}`$ s-1 (e.g. Millar et al. 1997), because the attenuation length of cosmic ray ionization is much larger than the column density for $`R50`$ AU. The ionization rate is uncertain by a factor of a few at least (e.g. van der Tak & van Dishoeck 2000). Calculations with $`\zeta =\mathrm{2.6\hspace{0.33em}10}^{17}`$ s-1 yield molecular column densities that differ by less than a factor of 3 from those with our standard $`\zeta `$.

We have extended the network to include mono-deuterated analogues of hydrogen-bearing species (Millar et al. 1989; Aikawa & Herbst 1999b). For normal exothermic reactions and dissociative recombination reactions, we have assumed that the total rate coefficient is unchanged for deuterated analogues, and have also assumed statistical branching ratios. There are some exceptions to the statistical rules; for example, the dissociative recombination of HCND+ does not produce DCN but HCN. Similar rules are set for the hydrogenation of HCN and DCN, i.e., HCN + H2DO+ produces HCND+ or HCNH+, but not DCNH+. Another important exception is

$`\mathrm{H}_2\mathrm{CN}+\mathrm{D}`$ $``$ $`\mathrm{HCN}+\mathrm{HD}(a)`$
$``$ $`\mathrm{DCN}+\mathrm{H}_2(b).`$
The lower branch ($`b`$) is one of the main formation paths for DCN. If we apply the statistical rule, the branching ratio $`a/b`$ is 2. However, the experiment by Nesbitt et al. (1990) shows the ratio $`a/b=5\pm 3`$. In this paper we assume the ratio $`a/b`$ to be 5.

We have included those deuterium exchange reactions for molecular ions and HD that are known to proceed in the laboratory or have been studied in detail theoretically (Millar et al. 1989); such reactions drive the fractionation yet are known to occur for only a few ions since activation energies are common (Henchman et al. 1988).

Although our model does not contain surface chemistry, as does the latest model of Willacy & Langer (2000), we do include the surface formation of H2 molecules, the surface recombination of ions and electrons, and formation and desorption of ice mantles. As in Paper I, we adopt an artificially low sticking probability $`S=0.03`$ for adsorbing species on the grain surface, in order to mimic the effect of non-thermal desorption. The sticking coefficient was originally chosen to fit the observed spectrum of CO emission lines in GG Tau. For thermal desorption from ice mantles, we adopt the same rate coefficients as in Aikawa et al. (1997). The total numbers of species and reactions included in our network are 773 and 10539, respectively.

The elemental abundances used here are the so-called “low-metal” values (e.g. Lee et al. 1998; Aikawa et al. 1999). The initial molecular abundances are determined by following molecular evolution in a precursor molecular cloud core with physical conditions $`n_\mathrm{H}=\mathrm{2\hspace{0.33em}10}^4`$ cm-3 and $`T=10`$ K up to $`\mathrm{3\hspace{0.33em}10}^5`$ yr, at which time observed abundances in molecular clouds are reasonably reproduced (Terzieva & Herbst 1998).

### 2.3 X-rays

Results from the X-ray observation satellites, ROSAT and ASCA, show that T Tauri stars are strong X-ray emitters, with X-ray luminosities in the range $`10^{29}10^{31}`$ erg s-1 (Montmerle et al. 1993; Glassgold et al. 1997). We include chemical processes caused by X-rays following Maloney et al. (1996) and Glassgold et al. (1997). In Paper I, we showed that X-rays affect the disk chemistry via ionization and induced UV radiation. Direct and secondary ionization of heavy elements by X-rays, which were not taken into account in Paper I, are included in this paper. We find that inclusion of these new processes does not much alter the results of Paper I. For completeness, however, we discuss their inclusion. We adopt an X-ray luminosity of $`10^{31}`$ erg s-1, which is almost the upper limit of the observed luminosity, in order to examine the upper limit of the X-ray effects.

#### 2.3.1 Secondary ionization

X-rays produce electrons with energies of several hundred eV by ionizing atoms and molecules. These electrons cause secondary ionization of about 30 molecules and atoms per keV of primary electron energy, most of which are hydrogen molecules. Secondary ionization is more effective than direct ionization by X-rays in a hydrogen-dominated gas, so that the overall ionization rate per unit time is given approximately by

$$\zeta _\mathrm{x}=N_{\mathrm{sec}}\sigma (E)F(E)𝑑E,$$
(5)
where $`N_{\mathrm{sec}}`$ is the number of secondary ionizations per unit primary photoelectron energy, $`\sigma `$ is the cross section for direct X-ray ionization for all elements weighted by their solar abundances, and the X-ray photon flux $`F(E)`$, in units of per unit area per unit time, is given by

$$F(E)=F_\mathrm{o}(E)e^{\tau (E)}$$
(6)
where $`\tau `$ is the optical depth along a path from the central star. The actual value of $`\zeta _\mathrm{x}`$ at a radius of $`R=700`$ AU in the Kyoto model is shown as a function of height from the midplane in Figure 2 of Paper I. The ionization rate via X-rays is higher than that via cosmic rays in regions roughly above the scale height of the disk.

Although the photoelectrons ionize mostly H2 and H, the secondary ionization of heavy elements may be important for their chemistry. Secondary ionization rate coefficients for heavy elements are estimated by

$$\zeta _\mathrm{x}^\mathrm{m}=\zeta _\mathrm{x}\frac{\sigma _{\mathrm{ei},\mathrm{m}}(E)}{\sigma _{\mathrm{ei},\mathrm{H}}(E)}$$
(7)
where $`\sigma _{\mathrm{ei},\mathrm{m}}(E)`$ is the electron-impact ionization cross section of element $`m`$ at energy $`E`$. We used the cross sections given by Lennon et al. (1988), and averaged the ratio $`\sigma _{\mathrm{ei},\mathrm{m}}(E)/\sigma _{\mathrm{ei},\mathrm{H}}(E)`$ over the energy range $`0.11`$ keV, because the energy of the primary electron is a few hundred eV. Typically, the ratio is $`37`$ for elements such as C (4.29) and Mg (7.09).

#### 2.3.2 Direct ionization

The direct X-ray ionization rates for C, N, O, Si, S, Fe, Na, Mg, Cl and P are calculated at each point of the disk using the X-ray flux obtained from equation (6) and the ionization cross sections given by Verner et al. (1993). We assume primary ionization of heavy elements in a molecule leads to a doubly ionized species because of the Auger effect; the doubly ionized species then dissociate into two singly charged ions. We consider this destructive reaction only for simple diatomic molecules, because we do not know the products when polyatomic molecules are dissociated by X-rays. This simplification does not affect our results, because X-ray induced photolysis is much more efficient than direct ionization in terms of molecular destruction.

#### 2.3.3 UV photolysis induced by X-rays

Energetic photoelectrons produced by X-rays collide with hydrogen atoms and molecules, and generate UV photons, just as cosmic rays do. Although this process was considered in Paper I, it was not discussed. In H2-dominated regions, the photoreaction rate coefficient for a species $`m`$ is given by

$$R_\mathrm{m}=2.6\psi p_\mathrm{m}x_{\mathrm{H2}}\zeta _\mathrm{x}(1\omega )^1\mathrm{s}^1$$
(8)
where $`\psi =1.4`$ is the ratio of number of Lyman-Werner photons produced per H2 ionization (Maloney et al. 1996). Since hydrogen is mostly in the molecular form in the region we are interested in, we adopt the constant value $`x_{\mathrm{H2}}=0.5`$ in this formula. We can ignore the contribution from hydrogen atoms because atomic hydrogen only dominates in the surface regions, which do not contain many molecules. The coefficient $`p_\mathrm{m}`$ is given by Gredel et al. (1989), and $`\omega `$ is the grain albedo, which is assumed to be 0.5. For molecules which are not listed in Gredel et al. (1989), we estimate the value of $`p_\mathrm{m}`$ from similar molecules. Following Gredel et al. (1987), we adopt $`p_\mathrm{m}=10`$ for CO. The deuterated hydrogen molecule HD is also subject to photodissociation by induced UV. Because HD is dissociated by lines, just like CO, we assume $`p_\mathrm{m}=10`$ for HD.

In fact, equation (8) assumes that induced photons are absorbed by molecules locally; in other words, a spatial gradient of $`\zeta _\mathrm{X}`$ is not considered. Since $`\zeta _\mathrm{X}`$ is higher at larger heights in our model, and since induced photons can be emitted in the vertical direction of the disk, the induced photons could penetrate deeper into the disk than we estimate, especially in the outer radius ($`R>500`$ AU) in our lower mass disk, in which the total column density is low ($`A_\mathrm{v}<1`$ mag). But a quantitative calculation of this effect requires a 2-D radiation transfer calculation, which is beyond the scope of this paper.

### 2.4 UV Radiation

A protoplanetary disk is irradiated by UV radiation from the external interstellar field and from radiation due to the central star. The UV flux from the central star varies temporally, and at $`R=100`$ AU the unattenuated UV flux can reach a value $`10^4`$ times higher than the interstellar flux (Herbig & Goodrich 1986; Imhoff & Appenzeller 1987; Montmerle et al. 1993). As in Paper I, we utilize this maximum value. The radiation fields from the two sources strike the disk from different directions, and thus suffer different degrees of attenuation. We obtain the attenuation of interstellar UV in terms of the visual extinction $`A_\mathrm{v}`$, by calculating the vertical column density from the disk surface to the height we are interested in, using the relation $`A_\mathrm{v}=N_\mathrm{H}/[\mathrm{1.8\hspace{0.33em}10}^{21}`$ cm-2 mag-1\]. The attenuation of the stellar UV, $`A_\mathrm{v}^{\mathrm{star}}`$, is obtained by calculating the column density from the central star. Values of $`A_\mathrm{v}`$ and $`A_\mathrm{v}^{\mathrm{star}}`$ are given in Table 1 of Paper I, as a function of height at $`R=700`$ AU for the Kyoto model. These values of extinction are then put into the photo-rate equations of our network.

In §4, where we report calculated values for molecular distributions in embedded disks, we consider an additional attenuation of $`12`$ mag via ambient gas, while the attenuation of the stellar radiation is not modified.

Although the UV radiation is mainly attenuated by dust, self- and mutual-shielding must be considered for H2 and CO (van Dishoeck & Black 1988; Lee et al. 1996), so that we must solve for the molecular abundances and the UV attenuation self-consistently. As in Paper I, we solve a one-dimensional slab model at each radius of the disk and utilize modified shielding factors from Lee et al. (1996).

## 3 Results

### 3.1 Vertical Distribution

Fig. 1 shows the vertical distribution of various molecules (dashed lines) and their singly deuterated counterparts (solid lines) at $`R=500`$ AU and at $`t=\mathrm{9.5\hspace{0.33em}10}^5`$ yr, which is a typical age of a T Tauri star. The disk is assumed to be less massive than the Kyoto model by an order of magnitude. The effects of X-rays from the central star are included. Throughout this paper, we will also present the results of models in which the mass is that of the Kyoto model, in which X-rays are turned off, and in which the time is changed. The low mass model is emphasized because in Paper I, we showed that it is consistent with the observational result of DM Tau by Dutrey et al. (1997).

As can be seen in Fig. 1, most molecules have a peak abundance at some intermediate height; in the surface region of the disk the molecules are dissociated by UV photons both from the interstellar field and the central star, while close to the midplane most molecules are adsorbed onto grains. In the midplane region, however, some gas-phase species show a “late-time peak” at $`t10^510^6`$ yr (Ruffle et al. 1997; Paper I) which can occur in gas-grain models with low sticking efficiencies or with non-thermal desorption. The high abundance of NH3 in the midplane is caused by this peak.

A comparison of the concentrations of molecules and their deuterated isotopomers in Fig. 1 shows that molecular D/H ratios are much higher than the elemental abundance ratio D/H of $`\mathrm{1.5\hspace{0.33em}10}^5`$. This is not surprising because deuterium fractionation proceeds in a similar way as in molecular clouds. Owing to the energy differences between deuterated species and normal species, and to some rapid exchange reactions, species such as H$`{}_{}{}^{+}{}_{3}{}^{}`$ and CH$`{}_{}{}^{+}{}_{3}{}^{}`$ have a high D/H ratio, and the high ratio propagates to other species through ion-molecule reactions (Millar et al. 1989; Aikawa & Herbst 1999b). Another route to fractionation lies through the dissociative recombination of molecular ions with high D/H ratios, which leads to a high atomic D/H ratio. Neutral-neutral reactions involving H and D then propagate these high atomic D/H ratios. For example, a major production route for DCN is the reaction between D and H2CN.

Fig. 1 also shows that molecular D/H ratios are higher at smaller heights, where molecules are more heavily depleted from the gas phase onto grain surfaces. Molecular depletion enhances the D/H ratio of the remaining gaseous species. For example, H2D+ is formed by the reaction H$`{}_{}{}^{+}{}_{3}{}^{}`$ \+ HD and, in many situations, is destroyed mainly by the reaction H2D+ \+ CO. Hence the ratio H2D+/H$`{}_{}{}^{+}{}_{3}{}^{}`$ is proportional to $`n`$(HD)/$`n`$(CO), which increases as the gaseous CO abundance decreases (Brown & Millar 1989). At sufficiently small CO densities, the dominant destruction route for H2D+ becomes reaction with electrons or back reaction with H2.

### 3.2 Radial Distribution of D/H ratios

By integrating the vertical distributions of molecular abundances, we obtain molecular column densities. The column densities of deuterated and normal species are shown in Fig. 2 for assorted molecules as a function of disk radius. The time is the same as in Fig. 1: $`t=\mathrm{9.5\hspace{0.33em}10}^5`$ yr. Despite the addition of direct and secondary ionization of heavy elements via X-rays in this paper, the calculated column densities of normal species are almost the same as in Paper I. One notable modification concerns the NH3 column density in the outermost region ($`R>500`$ AU) of the disk. In Paper I, we assumed that the H$`{}_{}{}^{+}{}_{3}{}^{}`$ \+ N reaction produces NH+; however, subsequent information shows that the reaction does not proceed efficiently (Scott et al. 1998). In the outer region, where N atoms are relatively abundant because of the low density, this reaction was a key component in the synthesis of NH3. At $`R=700`$ AU in the lower mass model with X-rays and $`t=\mathrm{9.5\hspace{0.33em}10}^5`$ yr, the column density of NH3 was $`\mathrm{1.2\hspace{0.33em}10}^{12}`$ cm-2 in Paper I, but it is only $`\mathrm{6.7\hspace{0.33em}10}^{10}`$ cm-2 in the current model. At smaller radii ($`R<300`$ AU) the modification is less significant.

We obtained averaged D/H ratios for molecules at each radius by dividing the column density of the deuterated species by that of the normal species. Fig. 3 shows D/H ratios for the lower mass disk model, and Fig. 4 for the Kyoto model. The thick lines show the ratio at $`t=\mathrm{9.5\hspace{0.33em}10}^5`$ yr, and the thin lines at a shorter time of $`\mathrm{3\hspace{0.33em}10}^5`$ yr. The solid lines are for models with X-rays and the dashed lines for models without X-rays.

The radial dependence of the column density ratios shown in Fig. 3 and 4 can be understood from the major mechanism of deuteration. For example, the D/H ratios of NH3, H2O, and HCO+ decrease at $`R<300`$ AU. These three species are deuterated through H2D+. Since the exothermicity for the reaction H$`{}_{}{}^{+}{}_{3}{}^{}`$ \+ HD $``$ H2D+ \+ H2 is relatively low (230 K), the back reaction becomes important as the temperature rises near the star and lowers the D/H ratio in the inner regions. On the other hand, the D/H ratios in CH4 and H2CO do not decrease inwards, because those species are deuterated through CH2D+, for which the exothermicity of the deuterium exchange reaction is much higher (370 K) than that for H2D+. Finally, the DCN/HCN column density ratio slightly decreases inwards because D atoms are less abundant in inner regions.

X-rays affect the column density ratios. For $`R>300`$ AU, the D/H ratios of HCO+, NH3 and H2O are smaller in the case with X-rays than otherwise, because the enhancement of the H2D+ to H$`{}_{}{}^{+}{}_{3}{}^{}`$ ratio is limited by the rate at which H2D+ is destroyed by recombination with electrons, which are more abundant in the case with X-rays (Gu$`\stackrel{´}{\mathrm{e}}`$lin et al. 1982; Caselli et al. 1998). In the inner regions, on the other hand, H2D+ is always destroyed more efficiently by the reaction with CO or H2, and thus the ratios are less dependent on the electron abundance.

The D/H ratios also depend on the total mass of the disk. Comparing Fig. 3 with Fig. 4, we can see that, except for DCO+/HCO+, the ratios are higher in the Kyoto model, especially in the outer region. This mass dependence is caused by molecular depletion onto grains, which is more efficient in disks with higher mass. This dependence does not appear for HCO+, because its abundance peaks at a larger height than those of neutral species, at which D/H ratios are less affected by depletion.

So far, detection of deuterated species has been reported only in the disk around LkCa15, where Qi (2000) observed DCN and HDO using the OVRO interferometer (see also Qi et al. 1999). He found DCN and HCN to be distributed within a radius of $``$ 1” (140 AU at the distance of 140 pc) and $``$ 3”-4” from the central star, respectively. The differing sizes of the distributions reflect the fact that the only DCN line detected is the $`J=32`$ transition. The column density of DCN was estimated to be $`\mathrm{1\hspace{0.33em}10}^{13}`$ cm-2 from the integrated intensity of DCN($`J=32`$), while the column density of HCN was estimated to be $`10^{15}`$ cm-2 from the intensities of the H13CN $`J=32`$ and $`J=10`$ lines. Our model result for the DCN/HCN ratio within $`R<200`$ AU is consistent with the observation, independent of the disk mass. However, the absolute column densities of HCN and DCN in the model are significantly smaller than observed. In the region of radius $`<200`$ AU, the column density of DCN is $`10^{11}`$ cm-2 in our low mass disk model (Fig. 2) and is $`<10^{12}`$ cm-2 in the Kyoto model (see Fig. 4 and Paper I). Moreover, the column densities of various molecules detected in LkCa15 are significantly higher than those in DM Tau (Qi 2000). One possible explanation for this difference would be the disk mass. The mass of the disk around LkCa15 is estimated to be 0.2 $`M_{}`$ from the dust continuum, which traces the region of radius $`100`$ AU, while the mass of Kyoto model within 100 AU is 0.024 $`M_{}`$. In addition to modifying the Kyoto model to include higher masses, the major possibilities for improving our absolute column densities are (a) to lower the artificial sticking probability used in our current model (S=0.03) so that more material remains in the gas phase at a given time, or (b) to include specific non-thermal desorption mechanisms (Willacy & Langer 2000), and to consider the variability of their efficiency among disks. Finally, a K5 star HD284589, located close to LkCa15, may affect the molecular abundances in the disk through heating and/or UV radiation. These are prospects for future work. Observations of deuterated species in DM Tau would be desirable to compare with our current calculated values.

Like DCN, the estimated column density of HDO in LkCa15 – $`(27)\mathrm{\hspace{0.33em}10}^{14}`$ cm-2 (Qi 2000) – is higher than the value ($`<\mathrm{1\hspace{0.33em}10}^{14}`$ cm-2) obtained in our models. Since H2O cannot be observed from the ground, the HDO/H2O ratio is not determined. It is interesting that the intensity peak of HDO is offset from the central star, which is consistent with our model.

## 4 Disks Embedded in Ambient Gas

Statistical observations of molecular emission lines in disks are important in order to determine their size, time scale of gas dissipation, and chemical abundances. Several gaseous disks have been found via surveys of CO $`J=21`$ and $`J=10`$ lines (Kawabe et al. 1993; Koerner et al. 1993; Dutrey et al. 1994; Koerner & Sargent 1995). The merit of using CO lines is that the molecule is in general much more abundant than any other molecules with heavy elements in interstellar conditions. However, the number of disks observed via molecular lines is much smaller than that via dust continuum studies. One of the difficulties in searching for gaseous disks via CO lines is contamination of the lines with ambient cloud gas. CO is abundant not only in the disk, but also in ambient clouds, and the critical densities of the excitation of its $`J=21`$ and $`J=10`$ lines are comparable to the cloud gas density. Hence it is useful if we can find molecular lines which preferentially trace the gas in disks. Such lines have to satisfy the following two conditions: (a) their critical densities should be higher than a typical density of molecular clouds ($`n_\mathrm{H}10^4`$ cm-3) and (b) the molecule should be reasonably abundant within the disk. In fact, there are many molecular rotational lines, especially the high$`J`$ lines, the critical density of which is higher than the cloud density but lower than or comparable to the disk density. The latter condition (b) can be checked based on our model.

In our calculation of molecular column densities in disks in Paper I, however, we assumed the disks to be directly exposed to the interstellar radiation field. In order to see if there is any molecular line which can be used to trace embedded disks, we have to reconsider the problem including the UV attenuation via ambient gas. One possible tracer is CN, the rotational ($`N=21`$) transition of which is one of the strongest lines detected in the disks around DM Tau, GG Tau, and LkCa15 (Dutrey et al. 1997; Qi 2000). The clear detection of the line indicates that CN is relatively abundant in these disks, and the high critical densities ($`n_\mathrm{H}=\mathrm{3\hspace{0.33em}10}^5`$ cm-3 for $`N=10`$ and $`10^6`$ cm-3 for $`N=21`$) of the lines seem ideal in order to avoid contamination with ambient clouds at lower density. But theoretical studies show that CN exists mostly in the surface regions of disks, in which interstellar UV plays a dominant role in the chemistry (Paper I), and thus it is not clear if it is also abundant in disks shielded from interstellar radiation. In this section, we discuss the column densities of CN, together with other species, in embedded disks.

Fig. 5 and 6 show calculated radial column density distributions of assorted species in the lower mass disk model at $`t=\mathrm{9.5\hspace{0.33em}10}^5`$ yr. Fig. 5 contains model results in the absence of any X-ray emission from the central star, while Fig. 6 shows results when X-ray processes are included. The solid lines, dotted lines, and dashed lines are for $`A_\mathrm{v}`$ = 0, 1, and 2 mag, respectively. It is easy to see that the distributions can depend on both the X-ray irradiation and the degree of extinction. In the model without X-rays, the column densities of radicals such as CN and C2H are extremely sensitive to the existence of ambient gas above and below the disk since this gas interferes with the photodissociation that produces the radicals. The effect is especially drastic at inner ($`R<300`$ AU) radii, where the gas density is higher and thus abundances of radical species are very low without photoprocesses. It should be noted, however, that the column density of CN in the case with $`A_\mathrm{v}=2`$ mag is still reasonably large at $`R>300`$ AU. We additionally calculated molecular abundances at $`R=500`$ AU for $`A_\mathrm{v}=4`$ mag, in which the CN column density is $`\mathrm{3.7\hspace{0.33em}10}^{12}`$ cm-2. These results suggest that CN can be a disk tracer at least in the outer regions ($`R>300`$ AU) for T Tauri stars without high X-ray luminosity.

In the model with X-rays from the central star, the column densities of radicals such as CN, CH, and C2H are high even in the inner regions. The high ionization rate and induced photolysis by X-rays significantly enhance the radical species in regions with small radius and large height. We should note that the column densities of those radicals obtained in this model are upper limits because the X-ray luminosity we assumed – $`L_\mathrm{x}=10^{31}`$ erg s-1 – is close to the upper limit of the temporally varying X-ray intensity from T Tauri stars. But sufficient column densities of the radicals are expected in the inner regions ($`<200`$ AU) even if the average X-ray luminosity is lower by an order of magnitude, since their radical column densities roughly depend linearly on the X-ray luminosity there. Therefore CN can trace even the inner regions ($`R<200`$ AU) of embedded disks when there is some X-ray luminosity.

As for other species, it is interesting to note that the column densities of HCO+ and NH3 tend to be higher in disks with non-zero $`A_\mathrm{v}`$, regardless of the X-ray luminosity, which suggests that their high frequency transitions with high critical densities can also be tracers of embedded disks. The centrally peaked distribution of HCO+ makes it the better tracer because the line can be more sensitive to a disk with small radius.

Although the calculations reported in this section deal with the effect of embedding disks in clouds, a close observation of Figs. 5 and 6 shows that some qualitative trends are actually independent of the degree of extinction. For example, species such as CN, C2H, and H2CO show a central peak in the case with X-ray irradiation and a central hole in the case of no such irradiation regardless of whether or not the disk is embedded. This behavior is not universal; the HCN distribution shows a similar dependence on the X-ray luminosity only when the disks are embedded. Specifically, in the model without X-ray irradiation, HCN (in the case of $`A_\mathrm{v}1`$ mag) shows a central hole of radius $`200`$ AU, while in all cases with X-ray irradiation it is centrally peaked. Thus, if X-ray fluxes are different from one disk to another, one can expect the radial distributions of individual molecules to be different. Interestingly, interferometric observations show that CN is centrally peaked in the disk around DM Tau (Dutrey 2000, personal communication) but exhibits a central hole in the disk around LkCa15 (Qi 2000).

## 5 Summary

We have presented two major extensions from our previous models reported in Paper I.

Firstly, we have investigated the two-dimensional distribution of deuterated species in protoplanetary disks. The molecular D/H ratios in gaseous disks evolve in a similar way as in molecular clouds. In the vertical direction the D/H ratios are higher at lower height, where molecules are more heavily depleted onto grain surfaces.

The D/H ratios of HCO+, NH3, and H2O decrease significantly towards smaller radii at $`R<300`$ AU. These molecules are deuterated through H2D+, the abundance of which is rather sensitive to the temperature, which increases at small radii. The D/H ratios of CH4 and H2CO do not decrease inwards because these species are deuterated through CH2D+, which is formed from CH$`{}_{}{}^{+}{}_{3}{}^{}`$ through a sufficiently exothermic reaction that it does not possess much of a temperature dependence in the range ($`T<40`$ K) we are concerned with in this paper. The DCN/HCN ratio is higher at larger radii because DCN is formed primarily from H2CN via the reaction with D atoms, which are more abundant at larger radii, where the density is lower.

The D/H ratios depend not only on the temperature, but also on the disk mass and the X-ray flux. In the disk with larger mass, the column-density ratios of deuterated species to normal species are generally higher because of heavier depletion of molecules onto grains. With a higher X-ray flux, the D/H ratios of HCO+, NH3 and H2O are smaller at large radial distances because the enhancement of the H2D+ to H$`{}_{}{}^{+}{}_{3}{}^{}`$ ratio is reduced by more copious electrons.

Our results for the ratio of the column densities of DCN and HCN are in reasonable agreement with the observation of the disk around LkCa15 (Qi 2000) whether we utilize the Kyoto or the low mass model, but the absolute column densities we calculate are too low for this rather massive disk.

Secondly, we have investigated molecular column densities in disks embedded in ambient clouds using models without and with X-rays from the central T Tauri star.

In the models without X-rays, the column densities of radicals such as CN are sensitive to the attenuation of interstellar UV by ambient gas, especially in the inner radius of the disk. In the disk with direct UV irradiation, the CN column density is $`\mathrm{3\hspace{0.33em}10}^{12}\mathrm{3\hspace{0.33em}10}^{13}`$ cm-2 in the region $`50R700`$ AU, while in the disk embedded in ambient gas, the column density of CN is $`10^{12}10^{13}`$ cm-2 in the outer region of the disk ($`R>300`$ AU), but decreases for radii $`<300`$ AU by orders of magnitude. On the other hand, in the models with X-rays, ionization and induced photolysis by X-rays enhance the abundance of CN and other radicals so that the column density of CN is as high as $`>10^{13}`$ cm-2 at $`50R700`$ AU. Since the X-ray flux is higher in inner regions, radial distributions of radicals such as CN are centrally peaked. Indeed, the distributions for non-radicals tend to show a similar effect.

The molecular ion HCO+ is centrally peaked regardless of the X-ray luminosity, and is more abundant in the case with UV shielding via ambient clouds. Inclusion of X-rays further enhances the column density of HCO+.

Our calculated results, combined with the fact that CN and HCO+ are clearly detected in the non-embedded disks around DM Tau, GG Tau, and LkCa15, suggest that CN and HCO+ can be gaseous disk tracers towards embedded objects especially with high X-ray luminosity. Our results also suggest that the radial distribution of the radicals CN and C2H and some non-radical species (HCN and H2CO) may vary among disks depending on the X-ray luminosity of the central star.

###### Acknowledgements.

The authors are grateful to A. Dutrey, G. Blake, C. Qi, and M. Saito for stimulating discussions on the line observation of protoplanetary disks. Y. A. is grateful for financial support from the Japan Society for Promotion of Science. The Astrochemistry Program at The Ohio State University is supported by The National Science Foundation. Numerical calculations were partly carried out at the Astronomical Data Analysis Center of the National Astronomical Observatory of Japan, and on the Cray T90 at the Ohio Supercomputer Center.


text:
# MAKING SENSE OF THE NEW COSMOLOGY

## 1 The New Cosmology

Cosmology is enjoying the most exciting period of discovery yet. Over the past three years a new, improved standard cosmology has been emerging. It incorporates the highly successful standard hot big-bang cosmology $`^\mathrm{?}`$ and extends our understanding of the Universe to times as early as $`10^{32}`$sec, when the largest structures in the Universe were still subatomic quantum fluctuations.

This New Cosmology is characterized by

* Flat, critical density accelerating Universe
* Early period of rapid expansion (inflation)
* Density inhomogeneities produced from quantum fluctuations during inflation
* Composition: 2/3 dark energy; 1/3 dark matter; 1/200 bright stars
* Matter content: $`(29\pm 4)`$% cold dark matter; $`(4\pm 1)`$% baryons; $`\begin{array}{c}>\hfill \\ \hfill \end{array}0.3`$% neutrinos
* Current temperature: $`T=2.725\pm 0.001`$K
* Current age: $`14\pm 1`$Gyr
* Current expansion rate: $`72\pm 7\mathrm{km}\mathrm{s}^1\mathrm{Mpc}^1`$

The New Cosmology is certainly not as well established as the standard hot big bang. However, the evidence is mounting.

### 1.1 Mounting Evidence: Recent Results

The position of the first acoustic peak in the multipole power spectrum of the anisotropy of the cosmic microwave background (CMB) radiation provides a powerful means of determining the global curvature of the Universe. With the recent DASI observations of CMB anisotropy on scales of one degree and smaller, the evidence that the Universe is at most very slightly curved is quite firm. $`^\mathrm{?}`$ The curvature radius of the Universe ($`R_{\mathrm{curv}}`$) and the total energy density parameter $`\mathrm{\Omega }_0=\rho _{\mathrm{TOT}}/\rho _{\mathrm{crit}}`$, are related:

$$R_{\mathrm{curv}}=H_0^1/|\mathrm{\Omega }_01|^{1/2}$$

The spatial flatness can be expressed as $`\mathrm{\Omega }_0=1.0\pm 0.04`$, or said in words, the curvature radius is at least 50 times greater than the Hubble radius.

As I will discuss in great detail later, the evidence for accelerated expansion is also very strong.

The series of acoustic peaks in the CMB multipole power spectrum and their heights indicate a nearly scale-invariant spectrum of adiabatic density perturbations with $`n=1\pm 0.07`$. Nearly scale-invariant density perturbations and a flat Universe are two of the three hallmarks of inflation. Thus, we are beginning to see the first significant experimental evidence for inflation, the driving idea in cosmology for the past two decades.

The striking agreement of the BBN determination of the baryon density from measurements of the primeval deuterium abundance, $`^{\mathrm{?},\mathrm{?}}`$ $`\mathrm{\Omega }_Bh^2=0.020\pm 0.001`$, with those from from recent CMB anisotropy measurements, $`^\mathrm{?}`$ $`\mathrm{\Omega }_Bh^2=0.022\pm 0.004`$, make a strong case for a small baryon density, as well as the consistency of the standard cosmology. (Here, $`h=H_0/100\mathrm{km}\mathrm{sec}^1\mathrm{Mpc}^1`$.) There can now be little doubt that baryons account for but a few percent of the critical density.

Our knowledge of the total matter density is improving, and becoming less linked to the distribution of light. This makes determinations of the matter less sensitive to the uncertain relationship between the clustering of mass and of light (what astronomers call the bias factor). $`^\mathrm{?}`$ Both the CMB and clusters of galaxies allow a determination of the ratio of the total matter density (anything that clusters – baryons, neutrinos, cold dark matter) to that in ordinary matter: $`\mathrm{\Omega }_M/\mathrm{\Omega }_B=7.2\pm 2.1`$ (CMB) and $`=9\pm 1.5`$ (clusters). Not only are these numbers consistent, they make a very strong case for something beyond quark-based matter. When combined with our knowledge of the baryon density, one infers a total matter density of $`\mathrm{\Omega }_M=0.33\pm 0.04`$. $`^\mathrm{?}`$

The many successes of the cold dark matter (CDM) scenario – from the sequence of structure formation (galaxies first, clusters of galaxies and larger objects later) and the structure of the intergalactic medium, to its ability to reproduce the power spectrum of inhomogeneity measured today – makes it clear that CDM holds much, if not all, of the truth in describing the formation of structure in the Universe. This implies that whatever the dark matter particle is, it moves slowly (i.e., the bulk of the matter cannot be in the form of hot dark matter such as neutrinos) and interacts only weakly (e.g., with strength much less than electromagnetic) with ordinary matter.

The evidence from SuperKamiokande $`^\mathrm{?}`$ for neutrino oscillations makes a strong case that neutrinos have mass ($`_im_\nu \begin{array}{c}>\hfill \\ \hfill \end{array}0.1`$eV) and therefore contribute to the mass budget of the Universe at a level comparable to or greater than that of bright stars. Particle dark matter has moved from the realm of a hypothesis to a quantitative question – how much of each type of particle dark matter. Structure formation in the Universe (especially the existence of small scale structure) suggests that neutrinos contribute at most 5% or 10% of the critical density. $`^\mathrm{?}`$

Even the age of the Universe and the pesky Hubble constant have been reined in. The uncertainties in the ages of the oldest globular clusters have been better identified and quantified, leading to a more precise age, $`t_0=13.5\pm 1.5`$Gyr. $`^\mathrm{?}`$ The CMB can be used to constrain the expansion age, independent of direct measurements of $`H_0`$ or the composition of the Universe, $`t_{\mathrm{exp}}=14\pm 0.5`$Gyr. $`^\mathrm{?}`$ A host of different techniques are consistent with the Hubble constant determined by the HST key project, $`H_0=72\pm 7\mathrm{km}\mathrm{s}^1\mathrm{Mpc}^1`$. Further, the error budget is now well understood and well quantified. $`^\mathrm{?}`$ Moreover, the expansion age derived from this Hubble, which depends upon the composition of the Universe, is consistent with the previous two ages.

The poster child for precision cosmology continues to be the present temperature of the CMB. It was determined by the FIRAS instrument on COBE to be: $`T_0=2.725\pm 0.001`$K. $`^\mathrm{?}`$

### 1.2 Successes and Consistency Tests

To sum up; we have determined the basic features of the Universe: the cosmic matter/energy budget; a self consistent set of cosmological parameters with realistic errors; and the global curvature. Two of the three key predictions of inflation – flatness and nearly scale-invariant, adiabatic density perturbations – have passed their first significant tests. Last but not least, the growing quantity of precision data are now testing the consistency of the Friedmann-Robertson-Walker framework and General Relativity itself.

In particular, the equality of the baryon densities determined from BBN and CMB anisotropy is remarkable. The first involves nuclear physics when the Universe was seconds old, while the latter involves gravitational and classical electrodynamics when the Universe was 400,000 years old.

The entire framework has been tested by the existence of the aforementioned acoustic peaks in the CMB angular power spectrum. They reveal large-scale motions that have remained coherent over hundreds of thousands of years, through a delicate interplay of gravitational and electromagnetic interactions.

Another test of the basic framework is the accounting of the density of matter and energy in the Universe. The CMB measurement of spatial flatness implies that the matter and energy densities must sum to the critical density. Measurements of the matter density indicate $`\mathrm{\Omega }_M=0.33\pm 0.04`$; and measurements of the acceleration of the Universe from supernovae indicate the existence of a smooth dark energy component that accounts for $`\mathrm{\Omega }_X0.67`$ (depending upon the equation of state).

Finally, while cosmology has in the past been plagued by “age crises” – time back to the big bang (expansion age) apparently less than the ages of the oldest objects within the Universe – today the ages determined by very different and independent techniques point to a consistent age of 14 Gyr.

## 2 Cosmic Mysteries

Cosmological measurements and observations over the next decade will test (and probably refine) the New Cosmology. $`^\mathrm{?}`$ If we are fortunate, they will also help us to make sense of it. At the moment, there are a number of cosmic mysteries, which provide opportunities for surprises and new insights. Here I will quickly go through my list, and save the most intriguing to me – dark energy – for its own section at the end.

### 2.1 Dark Matter

By now, the conservative hypothesis is that the dark matter consists of a new form of matter, with the axion and neutralino as the leading candidates. That most of the matter in the Universe exists in a new form of matter – yet detected in the laboratory – is a bold and as of yet untested assertion.

Experiments to directly detect the neutralinos or axions holding our own galaxy together have now reached sufficient sensitivity to probe the regions of parameter space preferred by theory. In addition, the neutralino can be created by upcoming collider experiments (at the Tevatron or the LHC), or detected by its annihilation signatures. $`^\mathrm{?}`$

While the CDM scenario is very successful there are some nagging problems. They may point to a fundamental difficulty or may be explained by messy astrophysics. $`^\mathrm{?}`$ The most well known of these problems are the prediction of cuspy dark matter halos (density profile $`\rho _{\mathrm{DM}}1/r^n`$ as $`r0`$, with $`n11.5`$) and the apparent prediction of too much substructure. While there are plausible astrophysical explanations for both problems, they could indicate an unexpected property of the dark matter particle (e.g., large self interaction cross section $`^\mathrm{?}`$ or annihilation cross section $`^\mathrm{?}`$) or perhaps even a failure of the particle dark matter paradigm.

I leave for the “astrophysics to do list” an accounting of the dark baryons. Since $`\mathrm{\Omega }_B0.04`$ and $`\mathrm{\Omega }_{}0.005`$, the bulk of the baryons are optically dark. In clusters, the dark baryons have been identified: they exists as hot, x-ray emitting gas. Elsewhere, the dark baryons have not been identified. According to CDM, the bulk of the dark baryons are likely to exist in hot/warm gas associated with galaxies, but this gas has not been detected. Since clusters account for only about 5 percent of the total mass, the bulk of the dark baryons are still not accounted for.

### 2.2 Baryogenesis

The origin of ordinary, quark-based matter is not yet fully understood. If the Universe underwent inflation, the dynamical, post-inflation production of an excess of baryons over antibaryons – baryogenesis – is obligatory, since any pre-inflation baryon asymmetry is diluted away by the enormous entropy production associated with reheating.

Because we now know that electroweak processes violate $`B+L`$ at a very rapid rate at temperatures above $`100`$GeV or so, baryogenesis is more constrained than when the idea was introduced more than twenty years ago. Today there are three possibilities: 1) produce the baryon asymmetry by GUT-scale physics with $`BL0`$ (to prevent it being subsequently washed away by $`B+L`$ violation); 2) produce a lepton asymmetry ($`L0`$), which is then transmuted into the baryon asymmetry by electroweak $`B+L`$ violation; or 3) produce the baryon asymmetry during the electroweak phase transition using electroweak $`B`$ violation.

While none of the three possibilities can be ruled out, the second possibility looks most promising, and it adds a new twist to the origin of quark-based matter: We are here because neutrinos have mass. In the lepton asymmetry first scenario, Majorana neutrino mass provides the requisite lepton number violation. The drawback of the first possibility is the necessity of a high reheat temperature after inflation, $`T_{\mathrm{RH}}10^5`$GeV, which is difficult to achieve in most models of inflation. The last possibility, while very attractive because all the input physics might be measurable at accelerator, requires new sources of $`CP`$ violation at TeV energies as well as a strongly first-order electroweak phase transition.

### 2.3 Inflation

There are still many questions to be answered about inflation, including the most fundamental: did inflation (or something similar) actually take place!

A good program is in place to test the inflationary framework. This is done by testing its three basic predictions: spatially flat Universe; nearly-scale invariant, nearly power-law spectrum of Gaussian adiabatic, density perturbations; and a spectrum of nearly scale-invariant gravitational waves.

The first two predictions will be probed much more sharply over the next decade. The value of $`\mathrm{\Omega }_0`$ should be determined to much better than 1 percent. The spectral index $`n`$ that characterizes the density perturbations should be measured to percent accuracy.

Generically, inflation predicts $`|n1|𝒪(0.1)`$, where $`n=1`$ corresponds to exact scale invariance. Likewise, the deviations from an exact power-law predicted by inflation, $`^\mathrm{?}`$ $`|dn/d\mathrm{ln}k|10^410^2`$ will be tested. The CMB and the abundance of rare objects such as clusters of galaxies will allow the prediction of Gaussianity to be tested.

Inflationary theory has given little guidance as to the amplitude of the gravitational waves produced during inflation. If detected, they are a smokin’ gun prediction. Their amplitude is directly related to the scale of inflation, $`h_{\mathrm{GW}}H_{\mathrm{inflation}}/m_{\mathrm{Pl}}`$. Together measurements of $`n1`$ and $`dn/\mathrm{ln}k`$, they can reveal much about the underlying scalar potential driving inflation. Measuring their spectral index – a most difficult task – provides a consistency test of the single scalar-field model of inflation. $`^\mathrm{?}`$

### 2.4 The Dimensionality of Space-time

Are there additional spatial dimensions beyond the three for which we have very firm evidence? I cannot think of a deeper question in physics today. If there are new dimensions, they are likely to be relevant for cosmology, or at least raise new questions in cosmology (e.g., why are only three dimensions large? what is going on in the bulk? and so on). Further, cosmology may well be the best means for establishing the existence of extra dimensions.

### 2.5 Before Inflation, Other Big-bang Debris, and Surprises

Only knowing everything there is to know about the Universe would be worse than knowing all the questions to ask about it. Without doubt, as our understanding deepens, new questions and new surprises will spring forth.

The cosmological attraction of inflation is its ability to make the present state of the Universe insensitive to its initial state. However, should we establish inflation as part of cosmic history, I am certain that cosmologists will begin asking what happened before inflation.

Progress in cosmology depends upon studying relics. We have made much of the handful we have – the light elements, the baryon asymmetry, dark matter, and the CMB. The significance of a new relic cannot be overstated. For example, detection of the cosmic sea of neutrinos would reveal the Universe at 1 second. Identifying the neutralino as the dark matter particle and determining its properties at an accelerator laboratory would open a window on the Universe at $`10^8`$sec. By comparing its relic abundance as derived from its mass and cross section with its actual abundance measured in the Universe, one could test cosmology at the time the neutralino abundance was determined.

And then there are relics that cosmologists have yet to dream of!

## 3 Dark Energy: Seven Lessons

The dark energy accounts for 2/3 of the stuff in the Universe and determines its destiny. That puts it high on the list of outstanding problems in cosmology. Its deep connections to fundamental physics – a new form of energy with repulsive gravity and possible implications for the divergences of quantum theory and supersymmetry breaking – put it very high on the list of outstanding problems in particle physics.

Dark energy is my term for the causative agent of the current epoch of accelerated expansion. According to the second Friedmann equation,

$$\frac{\ddot{R}}{R}=\frac{4\pi G}{3}\left(\rho +3p\right)$$
(1)
this stuff must have negative pressure, with magnitude comparable to its energy density, in order to produce accelerated expansion \[recall $`q=(\ddot{R}/R)/H^2`$; $`R`$ is the cosmic scale factor\]. Further, since this mysterious stuff does not show its presence in galaxies and clusters of galaxies, it must be relatively smoothly distributed.

That being said, dark energy has the following defining properties: (1) it emits no light; (2) it has large, negative pressure, $`p_X\rho _X`$; and (3) it is approximately homogeneous (more precisely, does not cluster significantly with matter on scales at least as large as clusters of galaxies). Because its pressure is comparable in magnitude to its energy density, it is more “energy-like” than “matter-like” (matter being characterized by $`p\rho `$). Dark energy is qualitatively very different from dark matter, and is certainly not a replacement for it.

It has been said that the sum total of progress in understanding the acceleration of the Universe is naming the causative agent. While not too far from the truth, there has been some progress. I will summarize it below.

### 3.1 Two Lines of Evidence for an Accelerating Universe

Two lines of evidence point to an accelerating Universe. The first is the direct evidence based upon measurements of type Ia supernovae carried out by two groups, the Supernova Cosmology Project $`^\mathrm{?}`$ and the High-$`z`$ Supernova Team. $`^\mathrm{?}`$ These two teams used different analysis techniques and different samples of high-$`z`$ supernovae and came to the same conclusion: the expansion of the Universe is speeding up, not slowing down.

The recent serendipitous discovery of a supernovae at $`z=1.76`$ bolsters the case significantly $`^\mathrm{?}`$ and provides the first evidence for an early epoch of decelerated expansion. $`^\mathrm{?}`$ SN 1997ff falls right on the accelerating Universe curve on the magnitude – redshift diagram, and is a magnitude brighter than expected in a dusty open Universe or an open Universe in which type Ia supernovae are systematically fainter at high-$`z`$.

The second, independent line of evidence for the accelerating Universe comes from measurements of the composition of the Universe, which point to a missing energy component with negative pressure. The argument goes like this: CMB anisotropy measurements indicate that the Universe is nearly flat, with density parameter, $`\mathrm{\Omega }_0=1.0\pm 0.04`$. In a flat Universe, the matter density and energy density must sum to the critical density. However, matter only contributes about 1/3 of the critical density, $`\mathrm{\Omega }_M=0.33\pm 0.04`$. $`^\mathrm{?}`$ (This is based upon measurements of CMB anisotropy, of bulk flows, and of the baryonic fraction in clusters.) Thus, two thirds of the critical density is missing! Doing the bookkeeping more precisely, $`\mathrm{\Omega }_X=0.67\pm 0.06`$.

In order to have escaped detection, this missing energy must be smoothly distributed. In order not to interfere with the formation of structure (by inhibiting the growth of density perturbations), the energy density in this component must change more slowly than matter (so that it was subdominant in the past). For example, if the missing 2/3 of critical density were smoothly distributed matter ($`p=0`$), then linear density perturbations would grow as $`R^{1/2}`$ rather than as $`R`$. The shortfall in growth since last scattering ($`z1100`$) would be a factor of 30, far too little growth to produce the structure seen today.

The pressure associated with the missing energy component determines how it evolves:

$`\rho _XR^{3(1+w)}`$
$`\rho _X/\rho _M(1+z)^{3w}`$ (2)
where $`w`$ is the ratio of the pressure of the missing energy component to its energy density (here assumed to be constant). Note, the more negative $`w`$, the faster the ratio of missing energy to matter goes to zero in the past. In order to grow the structure observed today from the density perturbations indicated by CMB anisotropy measurements, $`w`$ must be more negative than about $`\frac{1}{2}`$. $`^\mathrm{?}`$

For a flat Universe the deceleration parameter today is

$$q_0=\frac{1}{2}+\frac{3}{2}w\mathrm{\Omega }_X\frac{1}{2}+w$$

Therefore, knowing $`w<\frac{1}{2}`$ implies $`q_0<0`$ and accelerated expansion. This independent argument for accelerated expansion and dark energy makes the supernova case all the more compelling.

### 3.2 Gravity Can Be Repulsive in Einstein’s Theory, But …

In Newton’s theory, mass is the source of the gravitational field and gravity is always attractive. In General Relativity, both energy and pressure source the gravitational field. This fact is reflected in Eq. 1. Sufficiently large negative pressure leads to repulsive gravity.

While accelerated expansion can be accommodated within Einstein’s theory, that does not preclude that the ultimate explanation lies in a fundamental modification of Einstein’s theory. Lacking any good ideas for such a modification, I will discuss how accelerated expansion fits in the context of General Relativity. If the explanation for the accelerating Universe ultimately fits within the Einsteinian framework, it will be a stunning new triumph for General Relativity.

### 3.3 The Biggest Embarrassment in all of Theoretical Physics

Einstein introduced the cosmological constant to balance the attractive gravity of matter. He quickly discarded the cosmological constant after the discovery of the expansion of the Universe. Whether or not Einstein appreciated that his theory predicted the possibility of repulsive gravity is unclear to me.

The advent of quantum field theory made consideration of the cosmological constant obligatory not optional: The only possible covariant form for the energy of the (quantum) vacuum,

$$T_{\mathrm{VAC}}^{\mu \nu }=\rho _{\mathrm{VAC}}g^{\mu \nu },$$

is mathematically equivalent to the cosmological constant. It takes the form for a perfect fluid with energy density $`\rho _{\mathrm{VAC}}`$ and isotropic pressure $`p_{\mathrm{VAC}}=\rho _{\mathrm{VAC}}`$ (i.e., $`w=1`$) and is precisely spatially uniform. Vacuum energy is almost the perfect candidate for dark energy.

Here is the rub: the contributions of well-understood physics (say up to the $`100`$GeV scale) to the quantum-vacuum energy add up to $`10^{55}`$ times the present critical density. (Put another way, if this were so, the Hubble time would be $`10^{10}`$sec, and the associated event horizon would be 3 cm!) This is the well known cosmological-constant problem. $`^{\mathrm{?},\mathrm{?}}`$

While string theory currently offers the best hope for marrying gravity to quantum mechanics, it has shed precious little light on the cosmological constant problem, other than to speak to its importance. Thomas has suggested that using the holographic principle to count the available number of states in our Hubble volume leads to an upper bound on the vacuum energy that is comparable to the energy density in matter + radiation. $`^\mathrm{?}`$ While this reduces the magnitude of the cosmological-constant problem very significantly, it does not solve the dark energy problem: a vacuum energy that is always comparable to the matter + radiation energy density would strongly suppress the growth of structure.

The deSitter space associated with the accelerating Universe may pose serious problems for the formulation of string theory. $`^\mathrm{?}`$ Banks and Dine argue that all explanations for dark energy suggested thus far are incompatible with perturbative string theory. $`^\mathrm{?}`$ At the very least there is high tension between accelerated expansion and string theory.

The cosmological constant problem leads to a fork in the dark-energy road: one path is to wait for theorists to get the “right answer” (i.e., $`\mathrm{\Omega }_X=2/3`$); the other path is to assume that even quantum nothingness weighs nothing and something else with negative pressure must be causing the Universe to speed up. Of course, theorists follow the advice of Yogi Berra: “When you see a fork in the road, take it.”

### 3.4 Parameterizing Dark Energy: For Now, It’s $`w`$

Theorists have been very busy suggesting all kinds of interesting possibilities for the dark energy: networks of topological defects, rolling or spinning scalar fields (quintessence and spintessence), influence of “the bulk”, and the breakdown of the Friedmann equations. $`^{\mathrm{?},\mathrm{?}}`$ An intriguing recent paper suggests dark matter and dark energy are connected through axion physics. $`^\mathrm{?}`$

In the absence of compelling theoretical guidance, there is a simple way to parameterize dark energy, by its equation-of-state $`w`$. $`^\mathrm{?}`$

The uniformity of the CMB testifies to the near isotropy and homogeneity of the Universe. This implies that the stress-energy tensor for the Universe must take the perfect fluid form. $`^\mathrm{?}`$ Since dark energy dominates the energy budget, its stress-energy tensor must, to a good approximation, take the form

$$T_{X}^{}{}_{\nu }{}^{\mu }\mathrm{diag}[\rho _X,p_X,p_X,p_X]$$
(3)
where $`p_X`$ is the isotropic pressure and the desired dark energy density is

$$\rho _X=2.7\times 10^{47}\mathrm{GeV}^4$$

(for $`h=0.72`$ and $`\mathrm{\Omega }_X=0.66`$). This corresponds to a tiny energy scale, $`\rho _X^{1/4}=2.3\times 10^3`$eV.

The pressure can be characterized by its ratio to the energy density (or equation-of-state):

$$wp_X/\rho _X$$

Note, $`w`$ need not be constant; e.g., it could be a function of $`\rho _X`$ or an explicit function of time or redshift. ($`w`$ can always be rewritten as an implicit function of redshift.)

For vacuum energy $`w=1`$; for a network of topological defects $`w=N/3`$ where $`N`$ is the dimensionality of the defects (1 for strings, 2 for walls, etc.). For a minimally coupled, rolling scalar field,

$$w=\frac{\frac{1}{2}\dot{\varphi }^2V(\varphi )}{\frac{1}{2}\dot{\varphi }^2+V(\varphi )}$$
(4)
which is time dependent and can vary between $`1`$ (when potential energy dominates) and $`+1`$ (when kinetic energy dominates). Here $`V(\varphi )`$ is the potential for the scalar field.

I believe that for the foreseeable future getting at the dark energy will mean trying to measure its equation-of-state, $`w(t)`$.

### 3.5 The Universe: The Lab for Studying Dark Energy

Dark energy by its very nature is diffuse and a low-energy phenomenon. It probably cannot be produced at accelerators; it isn’t found in galaxies or even clusters of galaxies. The Universe itself is the natural lab – perhaps the only lab – in which to study it.

The primary effect of dark energy on the Universe is on the expansion rate. The first Friedmann equation can be written as

$$H^2(z)/H_0^2=\mathrm{\Omega }_M(1+z)^3+\mathrm{\Omega }_X\mathrm{exp}\left[3_0^z[1+w(x)]d\mathrm{ln}(1+x)\right]$$
(5)
where $`\mathrm{\Omega }_M`$ ($`\mathrm{\Omega }_X`$) is the fraction of critical density contributed by matter (dark energy) today, flatness is assumed, and the dark-energy term follows from energy conservation, $`d(\rho _XR^3)=p_XdR^3`$. For constant $`w`$ the dark energy term is simply $`\mathrm{\Omega }_X(1+z)^{3(1+w)}`$. Note, with the assumption of flatness, $`H(z)/H_0`$ depends upon only two parameters: $`\mathrm{\Omega }_M`$ and $`w(z)`$.

While $`H(z)`$ is probably not directly measurable (however see Loeb $`^\mathrm{?}`$), it does affect two observable quantities: the (comoving) distance to an object at redshift $`z`$,

$$r(z)=_0^z\frac{dz}{H(z)},$$

and the growth of (linear) density perturbations, governed by

$$\ddot{\delta }_k+2H\dot{\delta }_k4\pi G\rho _M\delta _k=0,$$

where $`\delta _k`$ is the Fourier component of comoving wavenumber $`k`$ and overdot indicates $`d/dt`$.

The comoving distance $`r(z)`$ can be probed by standard candles (e.g., type Ia supernovae) through the classic cosmological observable, luminosity distance $`d_L(z)=(1+z)r(z)`$. It can also be probed by counting objects of a known intrinsic comoving number density, through the comoving volume element, $`dV/dzd\mathrm{\Omega }=r^2(z)/H(z)`$.

Both galaxies and clusters of galaxies have been suggested as objects to count. $`^\mathrm{?}`$ For each, their comoving number density evolves (in the case of clusters very significantly). However, it is believed that much, if not all, of the evolution can be modelled through numerical simulations and semi-analytical calculations in the CDM picture. In the case of clusters, evolution is so significant that the number count test probe is affected by dark energy through both $`r(z)`$ and the growth of perturbations, with the latter being the dominant effect.

The various cosmological approaches to ferreting out the nature of the dark energy have been studied extensively. $`^\mathrm{?}`$ Based largely upon my work with Dragan Huterer, $`^\mathrm{?}`$ I summarize what we know about the efficacy of the cosmological probes of dark energy:

* Present cosmological observations prefer $`w=1`$, with a 95% confidence limit $`w<0.6`$. $`^\mathrm{?}`$
* Because dark energy was less important in the past, $`\rho _X/\rho _M(1+z)^{3w}0`$ as $`z\mathrm{}`$, and the Hubble flow at low redshift is insensitive to the composition of the Universe, the most sensitive redshift interval for probing dark energy is $`z=0.22`$. $`^\mathrm{?}`$
* The CMB has limited power to probe $`w`$ (e.g., the projected precision for Planck is $`\sigma _w=0.25`$) and no power to probe its time variation. $`^\mathrm{?}`$
* A high-quality sample of 2000 SNe distributed from $`z=0.2`$ to $`z=1.7`$ could measure $`w`$ to a precision $`\sigma _w=0.05`$ (assuming an irreducible systematic error of 0.14 mag). If $`\mathrm{\Omega }_M`$ is known independently to better than $`\sigma _{\mathrm{\Omega }_M}=0.03`$, $`\sigma _w`$ improves by a factor of three and the rate of change of $`w^{}=dw/dz`$ can be measured to precision $`\sigma _w^{}=0.16`$. $`^\mathrm{?}`$
* Counts of galaxies and of clusters of galaxies may have the same potential to probe $`w`$ as SNe Ia. The critical issue is systematics (including the evolution of the intrinsic comoving number density, and the ability to identify galaxies or clusters of a fixed mass). $`^\mathrm{?}`$
* Measuring weak gravitational lensing by large-scale structure over a field of 1000 square degrees (or more) could have comparable sensitivity to $`w`$ as type Ia supernovae. However, weak gravitational lensing does not appear to be a good method to probe the time variation of $`w`$. $`^\mathrm{?}`$ The systematics associated with weak gravitational lensing have not yet been studied carefully and could limit its potential.
* Some methods do not look promising in their ability to probe $`w`$ because of irreducible systematics (e.g., Alcock – Paczynski test and strong gravitational lensing of QSOs). However, both could provide important independent confirmation of accelerated expansion.

### 3.6 Why now?: The Nancy Kerrigan Problem

A critical constraint on dark energy is that it not interfere with the formation of structure in the Universe. This means that dark energy must have been relatively unimportant in the past (at least back to the time of last scattering, $`z1100`$). If dark energy is characterized by constant $`w`$, not interfering with structure formation can be quantified as: $`w\begin{array}{c}<\hfill \\ \hfill \end{array}\frac{1}{2}`$. $`^\mathrm{?}`$ This means that the dark-energy density evolves more slowly than $`R^{3/2}`$ (compared to $`R^3`$ for matter) and implies

$`\rho _X/\rho _M`$ $``$ $`0\mathrm{for}t0`$
$`\rho _X/\rho _M`$ $``$ $`\mathrm{}\mathrm{for}t\mathrm{}`$
That is, in the past dark energy was unimportant and in the future it will be dominant! We just happen to live at the time when dark matter and dark energy have comparable densities. In the words of Olympic skater Nancy Kerrigan, “Why me? Why now?”

Perhaps this fact is an important clue to unraveling the nature of the dark energy. Perhaps not. I shudder to say this, but it could be at the root of an anthropic explanation for the size of the cosmological constant: The cosmological constant is as large as it can be and still allow the formation of structures that can support life.$`^\mathrm{?}`$

### 3.7 Dark Energy and Destiny

Almost everyone is aware of the connection between the shape of the Universe and its destiny: positively curved recollapses, flat; negatively curved expand forever. The link between geometry and destiny depends upon a critical assumption: that matter dominates the energy budget (more precisely, that all components of matter/energy have equation of state $`w>\frac{1}{3}`$). Dark energy does not satisfy this condition.

In a Universe with dark energy the connection between geometry and destiny is severed. $`^\mathrm{?}`$ A flat Universe (like ours) can continue expanding exponentially forever with the number of visible galaxies diminishing to a few hundred (e.g., if the dark energy is a true cosmological constant); the expansion can slow to that of a matter-dominated model (e.g., if the dark energy dissipates and becomes sub dominant); or, it is even possible for the Universe to recollapse (e.g., if the dark energy decays revealing a negative cosmological constant). Because string theory prefers anti-deSitter space, the third possibility should not be forgotten.

Dark energy then is the key to understanding our destiny.

### 3.8 The Challenge

I believe the really big challenge for the New Cosmology is making sense of dark energy.

Because of its diffuse character, the Universe is likely the lab where dark energy can best be attacked (though one should not rule other approaches – e.g., if the dark energy involves a ultra-light scalar field, then there should be a new long-range force $`^\mathrm{?}`$).

While type Ia supernovae look particularly promising – they have a track record and can, in principle, be used to map out $`r(z)`$ – there are important open issues. Are they really standardizable candles? Have they evolved? Is the high-redshift population the same as the low-redshift population?

The dark-energy problem is important enough that pursuing complimentary approaches is both justified and prudent. Weak-gravitational lensing shows considerable promise. While beset by important issues involving number evolution and the determination of galaxy and cluster masses, $`^\mathrm{?}`$ counting galaxies and clusters of galaxies holds promise for probing the dark energy.

Two realistic goals for the next decade are determining $`w`$ to 5% and probing the time variation. Either has the potential to rule out a cosmological constant: For example, by measuring a significant time variation in $`w`$ or by pinning $`w`$ at $`5\sigma `$ away from $`1`$. Such a development would be remarkable and far reaching.

After determining the equation-of-state of the dark energy, the next step is measuring its clustering properties. A cosmological constant is spatially constant; a rolling scalar field clusters slightly on very large scales. $`^\mathrm{?}`$ Measuring its clustering properties will not be easy, but it provides an important, new window on dark energy. $`^\mathrm{?}`$

We do live at a special time: There is still enough light in the Universe to illuminate the dark energy.

## 4 Closing Remarks

As a New Cosmology emerges, a new set of questions arises. Assuming the Universe inflated, what is the physics underlying inflation? What is the dark-matter particle? How was the baryon asymmetry produced? Why is the recipe for our Universe so complicated? What is the nature of the Dark Energy? Answering these questions will help us make sense of the New Cosmology as well as revealing deep connections between fundamental physics and cosmology. There may even be some big surprises – time variation of the constants or a new theory of gravity that eliminates the need for dark matter and dark energy.

There is an impressive program in place, with telescopes, accelerators, and laboratory experiments, both in space and on the ground: the Sloan Digital Sky Survey; the Hubble Space Telescope and the Chandra X-ray Observatory; a growing number of large ground-based telescopes; the Tevatron and B-factories in the US and Japan; specialized dark-matter detectors; gravity-wave detectors; a multitude of ground-based and balloon-borne CMB anisotropy experiments; the MAP satellite (which is already taking data) and the Planck satellite (to be launched in 2007). Still to come are: the LHC; a host of accelerator and nonaccelerator neutrino-oscillation and neutrino-mass experiments; the Next Generation Space Telescope; gravity-wave detectors in space; cluster surveys using x-rays and the Sunyaev – Zel’dovich effect. And in the planning: dedicated ground and space based wide-field telescopes to study dark energy, the next linear collider and on and on. Any one, or more likely several, of these experiments will produce major advances in our understanding of the Universe and the fundamental laws that govern it.

The progress we make over the two decades will determine how golden our age of cosmology is.

## Acknowledgments

This work was supported by the DoE (at Chicago and Fermilab) and by the NASA (at Fermilab by grant NAG 5-7092).

## References