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# Subaru Spectroscopy of the Interacting Type Ia Supernova SN 2002ic: Evidence of a Hydrogen-rich, Asymmetric Circumstellar Medium

## 1 INTRODUCTION

Hamuy et al. (2003) reported strong Fe III, Si II, and S II features in the early-time spectra of SN 2002ic and classified it as a Type Ia supernova (SN Ia). However, strong H$`\alpha `$ emission was also observed. The detection of H$`\alpha `$ is unprecedented in an SN Ia. (For reviews on SN spectra, see Filippenko 1997). The emission was broad (FWHM $`>1000`$ km s-1), suggesting that it was intrinsic to the SN. Hamuy et al. (2003) suggested that it arose from the interaction between the SN ejecta and a dense, H-rich circumstellar medium (CSM), as in SNe IIn (e.g., Chugai 1991; Chevalier & Fransson 1994). If this interpretation is correct, SN 2002ic may be the first SN Ia to show direct evidence of the circumstellar (CS) gas ejected by the progenitor system, presenting a unique opportunity to explore the CSM around an SN Ia and the nature of the progenitor system.

In this Letter, we present optical spectroscopy of SN 2002ic obtained more than 200 days after explosion, and discuss it within the context of the ejecta-CSM interaction.

## 2 OBSERVATIONS AND RESULTS

Observations were carried out on 2003 June 27.6 UT with the Faint Object Camera and Spectrograph (Kashikawa et al. 2002) attached to the Cassegrain focus of the 8.2 m Subaru Telescope. For the red observation (5900 – 10200 Å), we used a 300 groove mm-1 grism (centered at 7500 Å) and an order-cut filter O58. For the blue observation (3800 – 7000 Å), we used another 300 grooves mm-1 grism (centered at 5500 Å) and no filter. A $`0\stackrel{}{\mathrm{.}}8`$ width slit was used under moderate seeing conditions (FWHM $`0\stackrel{}{\mathrm{.}}60\stackrel{}{\mathrm{.}}7`$), resulting in a spectral resolution $`\lambda /\mathrm{\Delta }\lambda 650`$ ($`460`$ km s-1). The total exposure time was 1680 s for each observation. The flux was calibrated using observations of BD+28$`\mathrm{°}`$4211 (Massey and Gronwall, 1990). A systematic error of $``$ 0.1 mag is caused by the insufficient width of the slit compared with the seeing size. Although all data were taken in polarimetric mode, the signal-to-noise ratio is not high enough for sufficiently accurate polarimetry ($`0.2`$ %). Therefore, in the following only the flux data are discussed.

The spectrum is shown in Figure Subaru Spectroscopy of the Interacting Type Ia Supernova SN 2002ic: Evidence of a Hydrogen-rich, Asymmetric Circumstellar Medium, after correction for redshift ($`z=0.0666`$; Hamuy et al. 2003) and Galactic extinction ($`E_{BV}=0.06`$; Schlegel et al. 1998). The epoch is $`222`$ rest-frame days after explosion, which we assume occurred on 2002 November 3 UT (Hamuy et al., 2003). The spectrum has a brightness of $`m_V19.0`$. In other words, the SN is only $`1.5`$ mag fainter than at maximum light (Hamuy et al., 2003), while a normal SN Ia at similar epochs would have faded by $``$ 5 mag with respect to maximum light (Figure Subaru Spectroscopy of the Interacting Type Ia Supernova SN 2002ic: Evidence of a Hydrogen-rich, Asymmetric Circumstellar Medium).

The spectrum is strikingly similar to those of the peculiar SNe 1997cy (Turatto et al., 2000) and 1999E (Rigon et al., 2003), which were classified as Type IIn. (See also Wang et al. 2004.) SN 2002ic would also have been so classified, had it not been discovered at an early epoch when it appeared to be a genuine SN Ia. Hamuy et al. (2003) also noticed similarities to SN 1997cy in an earlier spectrum ($``$ 71 days after explosion).

The $`UBVRI`$ light curves (LCs) of the three SNe are also similar (Figure Subaru Spectroscopy of the Interacting Type Ia Supernova SN 2002ic: Evidence of a Hydrogen-rich, Asymmetric Circumstellar Medium). To construct the LC of SN 2002ic, we first integrated the Subaru spectrum. This yielded $`L=(5.8\pm 0.6)\times 10^{42}`$ ergs s-1, assuming a distance of 307 Mpc. The bolometric correction thus estimated was used to convert $`m_V`$ at earlier phases in Hamuy et al. (2003) and the late-time MAGNUM telescope (Yoshii, 2002) photometry into rough bolometric luminosities.

## 3 SPECTRAL ANALYSIS

The H$`\alpha `$ profile was decomposed using three Gaussians (Figure Subaru Spectroscopy of the Interacting Type Ia Supernova SN 2002ic: Evidence of a Hydrogen-rich, Asymmetric Circumstellar Medium, top left). (We used Gaussians for mathematical convenience, although real component profiles can be different.) A narrow core (FWHM $`1000`$ km s-1) is unresolved owing to low instrumental resolution. The intermediate component has FWHM $`4800`$ km s-1. It may develop from the $`1800`$ km s-1 component seen at earlier phases (Hamuy et al., 2003). The broad blue wing centered at $`6350`$ Å is likely \[O I\] $`\lambda \lambda `$6300,6364 (FWHM $`26000`$ km s-1). The integrated fluxes are $`4\times 10^{15}`$, $`1.5\times 10^{14}`$, and $`3.2\times 10^{14}`$ ergs s-1 cm-2, respectively.

Broad \[O I\] $`\lambda \lambda `$6300, 6364 is also present in SNe 1997cy and 1999E. \[O I\] lines seen in a few SNe IIn (e.g., Fransson et al. 2002) are narrower than 4000 km s-1 and much weaker. \[O I\] $`\lambda `$5577 is not obvious. Its potential location, marked by an arrow in Figure Subaru Spectroscopy of the Interacting Type Ia Supernova SN 2002ic: Evidence of a Hydrogen-rich, Asymmetric Circumstellar Medium, is well in the smoothly declining part of the $``$ 5100 – 5600 Å feature.

The H$`\beta `$ $`\lambda `$4861 – \[O III\] $`\lambda `$5007 complex was decomposed with four Gaussians (Figure Subaru Spectroscopy of the Interacting Type Ia Supernova SN 2002ic: Evidence of a Hydrogen-rich, Asymmetric Circumstellar Medium, top right). The two H$`\beta `$ components have FWHM $``$ 1700 and 4000 km s-1 and flux of $`8\times 10^{16}`$ and $`9\times 10^{16}`$ ergs s-1 cm-2, respectively. The unresolved \[O III\] $`\lambda `$5007 component (FWHM $`500`$ km s-1) has a flux of $`1.4\times 10^{16}`$ ergs s-1 cm-2. The expected intensity of \[O III\] $`\lambda `$4959 is only one-third that of $`\lambda `$5007 (Osterbrock, 1989). So the $``$4950 Å feature (FWHM $`6000`$ km s-1) is mainly due to Fe II multiplet 42.

Our spectrum shows a possible \[O III\] $`\lambda `$4363 line (Figure Subaru Spectroscopy of the Interacting Type Ia Supernova SN 2002ic: Evidence of a Hydrogen-rich, Asymmetric Circumstellar Medium, bottom right), as in SNe 1997cy and 1999E. A tentative Gaussian fit gives FWHM $`1200`$ km s-1 and a flux of $`1.7\times 10^{16}`$ ergs s-1 cm-2, which are likely overestimates. The feature to the left is also unresolved: it seems not to be H$`\gamma `$ $`\lambda `$4340; the SN 1999E spectrum (open circles) does not show H$`\gamma `$.

We decomposed the 7300 Å feature into He I $`\lambda `$7065, \[Ca II\] $`\lambda \lambda `$7291, 7324/\[O II\] $`\lambda \lambda `$7320, 7330, and O I $`\lambda `$7774 (Figure Subaru Spectroscopy of the Interacting Type Ia Supernova SN 2002ic: Evidence of a Hydrogen-rich, Asymmetric Circumstellar Medium, bottom left). The FWHMs are $``$ 3000, 18,000, and 10,000 km s-1, and the fluxes are $`6\times 10^{16}`$, $`1.2\times 10^{14}`$, and $`2.3\times 10^{15}`$ ergs s-1 cm-2, respectively. He I $`\lambda `$5876 is weak (FWHM $`1400`$ km s-1, flux $`2\times 10^{16}`$ ergs s-1 cm-2), as in SN 1997cy.

The strong emission near 8500 Å is a blend of the Ca II IR triplet and O I $`\lambda `$8446 (FWHM $`13000`$ km s-1 and flux $`4.7\times 10^{14}`$ ergs s-1 cm-2). A broad feature to the red could be weak O I $`\lambda `$9265. The Ca II H and K flux is $`1\times 10^{14}`$ ergs s-1 cm-2.

The lines we have identified can be divided into two groups based on their width. One group, comprising the H Balmer, \[O III\], and He I lines, have unresolved cores (FWHM $`1000`$ km s-1) and, in the case of H$`\alpha `$ and H$`\beta `$, components of intermediate width (FWHM $`30005000`$ km s-1). The other group includes broad \[Ca II\]/Ca II and \[O I\]/O I lines (FWHM $`>10000`$ km s-1). These lines do not show a narrow component.

We believe the unresolved components are CSM emissions, likely from a progenitor wind, as in SNe IIn (e.g., Fransson et al. 2002). R. Kotak & W. P. S. Meikle (2004, in preparation), using high-resolution spectroscopy, saw a P Cygni line with absorption velocity $`100`$ km s-1 atop the H$`\alpha `$ core. Rigon et al. (2003) measured a similar P Cygni velocity for H$`\alpha `$ ($`200`$ km s-1) in SN 1999E. The intermediate components of H$`\alpha `$ and H$`\beta `$ may be formed by multiple Thomson scattering of narrow emissions in CSM clouds of $`n10^8`$ cm-3 (Wang et al., 2004). The \[O III\]-emitting region may have $`n10^7`$ cm-3 ($`T10^4`$ K), near the critical density of the \[O III\] $`2p^2{}_{}{}^{1}S`$ level, as implied by the comparable flux of the possible \[O III\] $`\lambda `$4363 line (Osterbrock, 1989).

The total H$`\alpha `$ luminosity, $`L(\mathrm{H}_\alpha )23\times 10^{41}`$ ergs s-1, may imply $`0.43M_{\mathrm{}}`$ of high-density ionized H ($`10^810^9`$ cm-3) in the CSM, assuming case B recombination (see also Wang et al. 2004). Our Balmer decrement \[$`L(\mathrm{H}_\alpha )/L(\mathrm{H}_\beta )10`$\] is much steeper than expected for case B. Either collisional processes are important or other Balmer photons are absorbed and cascaded into H$`\alpha `$, or both. In either case, a high density is implied.

We suggest that the broad O/Ca lines are emitted by the SN Ia ejecta. In the W7 model for SNe Ia (Nomoto, Thielemann, & Yokoi, 1984), the outer C/O layer has $`v>12000`$ km s-1 and a typical density of $`10^5`$ cm-3 around 200 days, assuming free expansion. This is consistent with the detection of \[O I\] $`\lambda \lambda `$6300, 6364 but not of \[O I\] $`\lambda `$5577, which suggests $`n<10^8/t`$(days) cm-3 if $`T10^4`$ K (see Figure 7 in Leibundgut et al. 1991). The weakness of the \[Ca II\] $``$ 7300 Å line with respect to the IR triplet may suggest that the density is not as low. However, the flux ratio $`F_{7300}/F_{8500}`$ in SN 1997cy actually decreases with time and density. Perhaps the $``$ 8500 Å feature is dominated by Ly$`\beta `$-pumped O I $`\lambda `$8446 at later phases.

Parts of the outer ejecta must avoid strong CS interaction to retain high velocities and produce the broad O and Ca emissions ( powered by X-ray/UV radiation from the interaction region). The velocity of the shocked region and the preshocked ejecta is too low to explain the width of these lines. According to hydrodynamical simulations (T. Suzuki et al. 2004, in preparation), the pre-shocked ejecta have velocities less than 7000 km s-1 at $`100`$ days after explosion and less than 4000 km s-1 at $`200`$ days, and the shocked ejecta are decelerated to similar velocities. We suggest that the CSM is concentrated near the equator, so that the ejecta near the pole do not strongly interact with it (see also Section 5).

We suggest that the features near 4300, 4600, 4950, and 5300 Å (marked by circles and one arrow in Figure Subaru Spectroscopy of the Interacting Type Ia Supernova SN 2002ic: Evidence of a Hydrogen-rich, Asymmetric Circumstellar Medium) are broad blends of Fe II multiplets 27; 38 and 37; 42; and 49, 48, and 42, respectively. They strikingly resemble the Fe II permitted emissions in Seyfert 1 galaxies (Osterbrock 1989; see also Filippenko 1989 for similar conclusions in SN IIn 1987F). They may come from the cool shell in the reverse shocked region or, more likely, from the dense CSM clouds, suggesting a density $`10^9`$ cm-3.

## 4 SPECTRAL COMPARISON WITH OTHER TYPES

In Figure Subaru Spectroscopy of the Interacting Type Ia Supernova SN 2002ic: Evidence of a Hydrogen-rich, Asymmetric Circumstellar Medium, we compare the late-time spectra of SNe 2002ic, 2000cx (Ia), 1998bw (Ic), and 1988Z (IIn). Strong \[Fe III\]/\[Fe II\] blends dominate the normal SNe Ia spectra (e.g., Liu, Jeffery & Schultz 1997) and this suggests low density and high ionization relative to SN 2002ic where we find permitted Fe II lines. SNe Ic show very strong Mg I\] $`\lambda `$4571 (Mazzali et al., 2001). This line could blend with the Fe II feature near 4400 – 4700 Å in SN 2002ic, but SNe 1997cy and 1999E disfavor a strong Mg I\] contribution since in their spectra the central wavelength is $``$ 4640 Å.

The spectrum of the SN IIn 1988Z also looks different from that of SN 2002ic, although both show strong H$`\alpha `$ emission. In SN 1988Z, broad \[O I\] $`\lambda \lambda `$6300, 6364 and \[Ca II\] $`\lambda \lambda `$7291, 7324 are absent, as in other SNe IIn (Filippenko, 1997), while Ca II IR/O I emission is weak. The broad Fe features near 4600 and 5300 Å are also absent in SN 1988Z.

## 5 DISCUSSION

The currently preferred model for SNe Ia is the thermonuclear explosion of a C+O white dwarf (WD) in a binary system, reaching the Chandrasekhar limit via either accretion from a normal companion (the SD scenario, which is generally favored) or merging with another WD (the DD scenario). (For recent reviews, see Nomoto et al. 2000; Livio 2000.)

The SD scenario predicts the presence of an H/He-rich CSM. The discovery of strong CSM interaction in SN 2002ic may prove that this scenario does exist in nature. SNe 1997cy and 1999E may also be CS-interacting SNe Ia. However, such events are rare. Solid observational evidence of CSM has not yet been found in other SNe Ia (Lundqvist et al., 2003).

Our spectral analysis suggests a high-density H I-emitting CSM ($`n10^810^9`$ cm-3); so this is probably clumpy. Assuming the CSM was formed in a progenitor wind, we relate the mass-loss rate $`\dot{M}`$ and the wind velocity $`u`$ to the H$`\alpha `$ luminosity, through $`L(\mathrm{H}_\alpha )15\times 10^{39}`$ $`(\dot{M}/10^2\mathrm{M}_{\mathrm{}}\mathrm{yr}^1)^2`$ $`(u/100\mathrm{km}\mathrm{s}^1)^2`$ $`r_{16}^1f^1`$ ergs s-1, where $`r_{16}`$ is the radius of the CSM shock in units of $`10^{16}`$ cm and $`f`$ is the CSM filling factor. For $`u100`$ km s-1 and $`f0.01`$, $`\dot{M}`$ can be as high as $`10^2`$ M yr-1. The case B emissivity used here may underestimate $`L(\mathrm{H}_\alpha )`$ by $`50\%`$, considering that most H$`\beta `$ photons may have cascaded to H$`\alpha `$.

We have identified high-velocity lines (FWHM $`10^4`$ km-1) emitted in the ejecta of SN 2002ic. Based on the hydrodynamical model of T. Suzuki et al. (2004, in preparation), we suggest an equatorially concentrated structure for the CSM to explain the coexistence of these lines with the strong CS interaction. Such a geometry is not unexpected for the mass loss from a binary system or for stars approaching the end of the asymptotic giant branch (AGB). A preexisting clumpy disk was also suggested by Wang et al. (2004), based on spectropolarimetry.

Is $`\dot{M}10^2`$ M yr-1 too high for the SD scenario? The highest $`\dot{M}`$ observed in AGB stars is between $`10^3`$ and $`10^4`$ M yr-1 (Iben, 1995); $`\dot{M}`$ in our estimate is scaled as $`u`$. The bulk of the CSM may be near the equator and at low velocity ($`10`$ km s-1), which cannot be resolved. The observed H$`\alpha `$ P Cygni, dominated by the emission component, could be produced by some high-velocity CSM ($`100`$ km s-1) along the pole, which should be close to our line of sight. Similar wind patterns have been observed in some symbiotic stars (e.g., Solf & Ulrich 1985), which have been suggested as candidates for SN Ia progenitors.

Further observations and modeling are required to understand the nature of the CSM giving rise to this type of event, which may be classified as “Type IIa.” Suggestions include a common envelope (Livio & Riess, 2003), WD accretion wind (Hachisu et al., 1999), and the superwind from an AGB star exploding as a “type 1.5” event (Hamuy et al., 2003).

We thank the Subaru Telescope staff for their kind support, R. Kotak and P. Meikle for allowing us to cite their results, and M. Turatto for data of SNe 1997cy and 1999E.


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# The Shape of the Big Blue Bump as Revealed by Spectropolarimetry

## 1. Introduction

Early models of quasar accretion disks111It must be emphasized that almost all published accretion disk models are quasi-static and based on the Shakura-Sunyaev model. This is known to be qualitatively and quantitatively inconsistent with the observations of variability, spectral energy distributions and other properties. A sampling of references for this statement is the following: Alloin et al 1985, Antonucci 1988, 1999; Krolik et al 1991; Gaskell et al 2003; D vanden Berg 2003, these proceedings; O Blaes 2003, these proceedings. However, the models may indicate in a general way the behavior of optically thick thermal radiation in the case of energy deposition at large optical depth, especially if the emission follows the potential drop as in the Shakura-Sunyaev paradigm.predicted strong Lyman edges in absorption, as expected for stars of moderately high temperature, due to source function gradients in the atmospheres (e.g. Kolykhalov and Sunyaev 1984). Any such edges aren’t easily seen (Antonucci, Kinney and Ford 1989 and later papers)!222Also note that partial Lyman Limit Systems such as those of S5 0014+81 can give false positives for atmospheric edges (e.g. Fig 1a of Antonucci et al 1989 and the accompanying discussion). Thus no edges should be claimed to be atmospheric unless it has been shown that they lack accompanying narrow absorption lines. Candidates for broadened edges have generally failed this test, when the test has been made (Koratkar, Kinney and Bohlin (1992)).

Changes in spectral slope do appear to be common in the vicinity of the Lyman limit (Zheng et al. 1995 and later papers). Such spectral breaks might be consistent with smeared out and/or Comptonized Lyman edge features (e.g. Lee, Kriss, & Davidsen 1992, Hubeny et al. 2000). However, detailed fits to the spectral break observed in 3C 273 with the latest disk atmosphere models still produce a local emission bump longward of the limit that is not in agreement with the data (Blaes et al. 2001), and other problem arise when fitting the reported spectral breaks as atmospheric edges (Kishimoto et al, in prep).

Accretion disk models place the $``$4000A continuum around seven times farther out in the gravitational potential well for peak emissivity, compared with the Lyman edge region. This would greatly reduce relativistic smearing. Also since Balmer continuum absorption is not a resonance process, there is less chance of being fooled by intervening absorbing matter. In fact the distinction between atmospheric and foreground absorption becomes in part a semantic one in that case.

The Balmer edge behavior has never been discussed as a diagnostic of the quasar continuum emission mechanism because very strong Balmer continuum EMISSION and FeII features, attributed to the Broad Line Region, contaminate this wavelength region.

Very fortunately there is a way around the problem of contamination by atomic emission in some objects. These have slightly polarized BBBs, and UNPOLARIZED emission lines. The likely explanation is that there is some Thomson scattering interior to the BLR, which polarizes the BBB only.333We discuss the possibility that the observed polarization is due to a synchroton component (Schmidt and Smith 2002) in Kishimoto et al 2003. Here we just note that the existence of the edge feature in polarized flux requires that at least some of the polarization result form a thermal process.

Thus a plot of polarized flux can cleanly shave off the atomic emission. Published data of moderate SNR confirm that in these cases the Small Blue Bump is indeed unpolarized (e.g. Antonucci 1988; Schmidt and Smith 2000). With recent higher-SNR data from larger telescopes, we can determine the behavior of the BBB alone at the Balmer edge postion.

## 2. Observations and Results

A total of around fifteen good moderate-redshift candidates for polarized continuum and unpolarized atomic emission have been taken from the literature. We observed two of these objects with the Keck I telescope on May 9, 2002 (UT), and reported the results in Kishimoto et al 2003. The object with the better data, Ton 202, clearly shows the polarized flux turning DOWN below 4000A, just where the total flux turns UP because of the SBB.

Next we observed eleven quasars at the VLT Unit 3 (Melipal). These objects show a rich variety of interesting behavior, and some are unsuitable for our method because of substantial emission line polarization. For the suitable quasars, the polarized flux spectra show absorption edges similar to that of Ton 202 in at least two other cases (3C95 and 4C09.72)! The behavior thus seems rather widespread.

A second run with Keck I on May 4, 2003 (UT) uncovered a similar Balmer edge feature in two more objects. As noted by Schmidt and Smith 2000, the polarization of individual objects varies over time. This isn’t surprising since the scatterers must reside interior to or cospatial with the BLR.

## 3. Discussion

We often find that the polarized flux DECREASES at wavelengths below 4000A, strongly suggesting that the BBB has such a feature, and is thus thermal emission from an optically thick source. It may be that the total flux of the BBB has no feature at this wavelength, but that instead the BBB percent polarization has the feature. This type of behavior occurs in some models (Laor, Netzer and Piran 1990; a rigorous calculation which gives rather different behavior in some part of parameter space was later published as Blaes and Agol 1996). Still the implication is optically thick thermal emission.

Although the observed Balmer edge behavior is qualitatively consistent with thermal model predictions, more data and more modeling are needed to ensure that this is the correct interpretation.

On a slightly different topic, a high point of the SDSS conference for us was a lunchtime discussion of the polarization of 2MASS quasars with Gary Schmidt. His group has observed these objects extensively (e.g. Smith et al 2003). The objects were selected for red J-K colors. Considering the nonzero redshifts, this means in practice that they were selected for LARGE RATIOS OF HOT DUST EMISSION TO BBB EMISSION. The polarization data are very remarkable! We’d have expected the 2MASS objects to be mostly reddened quasars, with polarization due to dust scattering or absorption. Dusty far-IR selected quasars behave this way in general (e.g. Hines et al 2001). Dust scattering typically produces very blue polarized flux spectra in the objects studied in that paper and in other similar objects, at least in the optical part of the spectrum. (The shorter wavelengths are often cut off by dust absorption.) None of the 2MASS objects behave that way. However many 2MASS quasars are highly polarized: the percent polarization is often $`10\%`$, rather than $`1\%`$ as for our objects! In general the broad lines ARE polarized in objects selected this way, and so that this high polarization arises on BLR scales of larger. These properties make the interpretion of the spectropolarimetry very different from that of the low-polarization quasars described above.

Modest foreground reddening suppressing the BBB wouldn’t necessarily produce very red J-K colors since that wavelength interval is small and at relatively long wavelength; rather as noted above it could indicate a large ratio of dust emission to BBB emission. Actual optical/NIR SEDs will help to distinguish the two possibilities.

Over the lunch able we considered the possibility that the BBB emission is suppressed by foreground Thomson scattering. The (often very high) polarizations may be due to Thomson scattering as well. Large electron-scattering optical depths are very reasonable for quasars and luminous Seyfert galaxies. A powerful argument is that the scatterers in objects like NGC1068 provide an optical depth of 1$`\%`$ due to electron scattering (Miller, Goodrich, and Mathews 1991; Antonucci et al 1994; Ogle et al 2003) 444This paper actually finds an angle-averaged optical depth on $``$100pc scales of order a percent, but within the ionization/scattering cone, a small covering factor of sight lines with much higher Thomson depth. and this polarization arises on $``$100pc scales (Antonucci et al 1994; Capetti et al 1995). The outflowing scattering region is likely to be a wind which originates near the sublimation (or ”ablation”) radius of $`<`$1pc (Krolik and Begelman 1986). Thus given the density law for winds, THE OPTICAL DEPTH OF THE WIND IS OF ORDER UNITY on pc scales. (Ferland et al, this meeting, also argue for such electron-scattering optical depths near the torus inner edge.) Thus NGC1068 would look like a luminous Seyfert 1 or weak quasar if seen from the polar regions, and would present a very substantial electron-scattering optical depth to the BBB-emitting region. Similarly many quasars show large X-ray absorption columns with little or no optical reddening and absorption. (e.g. Salvati and Maiolino 2000; Wilkes et al 2002). These observations are interpretable in the context of the scattering wind (Krolik and Kriss 2001).

A delightful aspect of the 2MASS spectropolarimetric observations is that the DIRECT, unpolarized line profile can often be seen simultaneously with the Thomson-scattered line profile! See for example 2MASS 222202.2 +195231 in Fig 2 of Smith et al 2003. Thus we can get an accurate temperature and outflow velocity, as well as a good idea of the electon- scattering optical depth. For the object mentioned, the electron temperature comes out to one million degrees (FWZI = 18,000 km/s) and the outflow velocity is around 4000 km/sec (G. D. Schmidt, 2003 p.c.). However, demonstration of large electron-scattering optical depth in front of many quasar BBBs will entail many observational tests.

To summarize, the polarization property is underexploited in this field, and it can provide many unique insights.

We thank Gary Schmidt and Pat Ogle for sharing their thoughts. The work was funded in part by NSF AST-0098719.

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# A fast method for the measurement of long spin-lattice relaxation times by Single Scan Inversion Recovery experiment

## 1 Introduction

Measurement of the spin-lattice relaxation time is of enormous importance in the field of nuclear magnetic resonance (NMR) spectroscopy. Since the historical introduction of Bloch equations to describe the time evolution of the perturbed magnetization, the knowledge of spin-lattice relaxation time plays a significant role in understanding the dynamics of spin systems .

To measure the spin-lattice relaxation time, the most commonly employed technique is the inversion recovery (IR) experiment, which is a two-pulse experiment . In this method, a block of (d1 \- 180 \- $`\tau `$ \- 90 \- acquisition) is repeated for various $`\tau `$ values. The magnetizations for various $`\tau `$ values measure the recovery from inverted state towards the equilibrium value. The most time consuming step in this experiment is the recovery period $`d_1`$ during which the magnetization is repeatedly required to recover to its equilibrium value, necessitating $`d_15T_1`$.

The measurement of long spin-lattice relaxation times therefore takes significant time. Many methods have been suggested which speed-up the process, but with limited success. For example, a null measurement in an inversion recovery experiment yields approximate value in a short time . Saturation recovery methods take less time than inversion recovery since the recovery time is replaced by a saturation burst which usually takes $`2`$ $`T_1`$ . Progressive saturation method is the most commonly used method for long $`T_1`$ measurements . Freeman and Wittekeok suggested a fast method for $`T_1`$ measurements, which works for spins which gives extremely narrow lines ($``$ 0.1 Hz) in the spectrum . But for accurate measurements the inversion recovery method is still most commonly employed technique .

Recently Frydman et al have utilized the echo-planar imaging protocols to speed-up acquiring of two and multi-dimensional NMR experiments in which different slices of the sample (separated by using a linear gradient) are excited sequentially to encode indirect time evolution information, followed by a series of frequency-discriminated acquisitions, which are done in a single scan . Experimental times have been reduced from hours to seconds, without significant loss in S/N ratio. At the same time, several new experiments have been developed which speed-up multi-dimensional NMR experiments, such as G-matrix Fourier Transform NMR (GFT) and a single scan measurement of diffusion coefficients .

Following Frydman’s idea, we describe here a fast method of measurement of spin-lattice relaxation time, by a single scan experiment for samples having sufficient S/N ratio. The method incorporates the slice selection protocol in a standard inversion recovery experiment. Like a conventional inversion recovery experiment, a $`\pi `$ pulse is applied to invert the magnetization. As the magnetization is relaxing back toward the equilibrium value, we observe different slices of the sample (thickness is typically $`1/100\mathrm{t}\mathrm{h}`$ of the sample length) at different times. A selection of 10-20 slices allow us to monitor the journey of magnetization from an inverted state toward equilibrium, and to accurately calculate the $`T_1`$ value.

## 2 The method

The basic framework of SSIR is described in Fig. 1B. The figure also shows the standard inversion recovery experiment (Fig. 1A), so that a direct comparison can be made. The total time delay for $`i`$th slice in SSIR, has been made equal to the $`i`$th time delay ($`\tau _i`$) of the inversion recovery experiment, such that a comparison between the experimental time taken by these two methods can be made. In SSIR (Fig. 1B) the offset change at the beginning of a cycle is to select a particular slice at a specific frequency. This offset is incremented in each cycle to select slices. However, just before the acquisition, the offset is to reverted back to the original value for recording the spectrum, in the absence of a gradient.

From Fig. 1, it is apparent that the total experimental time for standard inversion recovery experiment, $`T_{IR}`$, is given by,

$`T_{IR}=N(d_1+T_{aq})+{\displaystyle \underset{i=1}{\overset{N}{}}}\tau _i,`$ (1)
where $`T_{aq}`$ is the acquisition time. The time delay for $`i`$th scan is $`\tau _i`$ for inversion recovery experiment. In case of SSIR, the time delay for $`i`$th slice is given by,

$`\tau _i=\left({\displaystyle \underset{j=1}{\overset{j=i}{}}}\tau _j^{}\right)+(i1)T_{aq}.`$ (2)
It should be noted that in contrast to inversion recovery experiment, the calculation of total experimental time for SSIR, does not involve a summation over all $`\tau _i`$s. Hence the total experimental time for SSIR, $`T_{SSIR}`$, is,

$`T_{SSIR}=T_{aq}+\tau _N,`$ (3)
where, $`\tau _N`$ is the time delay for Nth or final slice. Taking $`\tau _N=3T_1`$, $`d_1=5T_1`$, and for the inversion recovery experiment assuming an average $`\tau _i=T_1`$, one obtains,

$`T_{IR}=N(5T_1+T_{aq}+T_1),`$ (4)
(5)
$`T_{SSIR}=T_{aq}+3T_1.`$ (6)
Assuming $`T_{aq}3T_2^{}=aT_1`$, where $`T_2^{}=1/(\pi \mathrm{\Delta }\nu )`$, $`\mathrm{\Delta }\nu `$ being full-width at half-maximum of the concerned peak, we get,

$`T_{SSIR}={\displaystyle \frac{(3+a)}{N(6+a)}}T_{IR}`$ (7)
For $`a=1`$, $`T_{SSIR}=(4/7N)T_{IR}`$. However for long $`T_1`$’s, $`a1`$, yielding,

$`T_{SSIR}={\displaystyle \frac{T_{IR}}{2N}}.`$ (8)
Thus, the SSIR method needs only a fraction of the time needed for the full IR method.

## 3 Experimental

Both SSIR and the conventional inversion recovery experiment were performed on 4,5-dichloro-2-fluoro-nitrobenzene at 300 K dissolved in CDCl3 and sealed after several freeze pump and thaw cycles. The molecule has three weakly coupled spins (Fig. 2A). Spectra of both protons $`H^{()}`$ (ortho to fluorine) and $`H^{(m)}`$ (meta to fluorine), show doublets due to the coupling with fluorine, the coupling between the protons being small and unresolved. We have chosen this molecule, since the two protons have long relaxation times ( $``$ 25 s and $``$ 75 s respectively) at 300 K. We have earlier observed strong longitudinal cross-correlation effects in this molecule . In the $`T_1`$ measurements described below, the signal of each proton doublet was added up to suppress any multiplet effect due to cross-correlations .

For the SSIR experiment a gradient of 3 G/cm was applied along the z-direction. The effective sample height (the height of the r.f. coil) was 25 mm, yielding the total spectral spread of approximately 30 KHz (at 500 MHz of proton frequency). From the central part of the sample 17 slices of 100 Hz width ($``$ 0.08 mm thick) were selected with 500 Hz distance between the slices corresponding to approximately 0.4 mm distance between the slices. To investigate the diffusion effects the SSIR experiment was repeated with various slice distances. Slice distances of 600 Hz, 700 Hz and 1000 Hz were chosen which correspond to 0.47 mm, 0.50 mm and 0.79 mm respectively. It was assumed that the gradient profile is linear and flat in the region of interest.

The result of standard IR method suffers from the effects of r.f. inhomogeneity, particularly when the sample height is longer than the r.f. coil height . Methods have been suggested to correct the errors in $`T_1`$ measurements arising due to the r.f. inhomogeneity effects . Here, we describe a method of obtaining $`T_1`$, free from r.f. inhomogeneity effects. In this experiment the magnetization of the entire sample is inverted using a hard 180 pulse in the absence of gradient, and subsequently the magnetization of only the central slice is detected by using a soft 90 pulse in the presence of a gradient. The experiment is repeated for several values of delay ($`\tau `$), each after a delay of 5$`T_1`$, exactly like in a standard IR experiment. The total experimental time is thus equal to the standard IR experiment, with the result being free from r.f. inhomogeneity effects. We name this experiment as IR.

Fig. 2 shows the comparison between the spectra obtained from standard inversion recovery experiment and from SSIR for H(m) proton. The H(o) proton spectra (not shown) yield similar results. The $`T_1`$ values obtained from these spectra are discussed in the next section.

## 4 Results

The data for the IR, IR and SSIR experiments are plotted in Fig. 3 for the H(o) and H(m) protons. Results of mono exponential least square fit to these data are summarized in table 1.

It is seen from table 1 that the $`T_1`$ values for all the three methods for the H(o) proton are equal within experimental errors. For the H(m) proton, however, the IR method gave a slightly lower value. It is well known that the r.f. inhomogeneity causes errors in IR method and lowers the measured $`T_1`$. The IR method is thus superior to IR method. The SSIR method results substantial saving in time without loss of accuracy in $`T_1`$ measurement.

## 5 Discussions

The SSIR results are also plotted on a logarithmic scale in fig. 4. It is seen that for long values of $`\tau `$ ($`>200s`$ for H(m)) the data show deviation from linearity. It was suspected that this is due to diffusion of saturation arising from the 90 pulses to adjacent slices. To investigate this aspect, four SSIR experiments with different slice separation (namely, 0.39 mm, 0.47 mm, 0.50 mm and 0.79 mm corresponding to 500, 600, 700 and 1000 Hz) were carried out. The slice thickness was kept constant to 0.08 mm corresponding to 100 Hz. The results given in table 1 show a slight systematic increase in $`T_1`$ values of the H(m) proton (within experimental errors) with increased slice separation. It is thus concluded that the diffusion effects, if any, are small in the present sample.

While the manuscript was under preparation, our attention was drawn to a paper accepted for publication in Journal of Magnetic Resonance, by Loening et al, which also describes an experiment similar to our SSIR experiment and reports similar saving in experimental time . However they have measured smaller $`T_1`$ ($`T_1`$ $``$ 2 - 12 s).

## 6 Conclusion

A fast method (Single Scan Inversion Recovery, SSIR in short) for measuring the long spin-lattice relaxation time has been described. Being a single scan experiment, SSIR is order of magnitude faster than the conventional inversion recovery method, without any significant loss in accuracy. The method relies on slice selection technique. After an initial inversion of the total magnetization of the sample, different slices are observed at different times to monitor the complete relaxation recovery, in a single inversion. The effect of diffusion of saturation from one slice to next have been found to be small in this sample.

## 7 Acknowledgment

The authors wish to thank Prof K.V. Ramanathan for useful discussions and Dr.P.K. Madhu for drawing our attention to ref. . The use of the 500MHz FTNMR spectrometer (DRX-500) funded by the Department of Science and Technology, New Delhi, at the Sophisticated Instruments Facility, Indian Institute of Science, Bangalore is also gratefully acknowledged.


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# Velocity Profiles in Slowly Sheared Bubble Rafts

## Abstract

Measurements of average velocity profiles in a bubble raft subjected to slow, steady-shear demonstrate the coexistence between a flowing state and a jammed state similar to that observed for three-dimensional foams and emulsions \[Coussot et al,, Phys. Rev. Lett. 88, 218301 (2002)\]. For sufficiently slow shear, the flow is generated by nonlinear topological rearrangements. We report on the connection between this short-time motion of the bubbles and the long-time averages. We find that velocity profiles for individual rearrangement events fluctuate, but a smooth, average velocity is reached after averaging over only a relatively few events.

A proposed jamming phase diagram Liu and Nagel (1998), which treats applied stress in a manner analogous to temperature and density, offers an interesting framework for the study of a wide range of systems subjected to shear Liu and Nagel (2001). The jamming phase diagram proposes the existence of a new state of matter, the “jammed state”, and suggests that similar transitions to this state would occur as a function of applied stress, temperature, or density. For example, many complex fluids, such as emulsions, foams, and granular materials, exhibit a yield stress below which the material does not flow, or jams. As one approaches the yield stress from above, the viscosity diverges. This is analogous to the behavior of the viscosity in the glass transition. Experiments have confirmed the applicability of the jamming phase diagram in certain colloidal systems Trappe et al. (2001). These are examples of continuous jamming transitions.

Recent work in a range of soft materials, including colloids, granular matter, foams, and emulsions, suggest that the jamming transition can be discontinuous Coussot et al. (2002); Cruz et al. (2002). The materials exhibited a yield stress. Yet, under conditions of steady shear flow, there existed a critical radius at which the shear-rate was discontinuous and a transition from a flowing to a jammed state occurred Coussot et al. (2002). This is in contrast to the results of most stress versus rate of strain measurements for materials with a yield stress. Such experiments suggest the stress is well-modelled as a continuous function of shear-rate, such as with a Herschel-Bulkley model Bird et al. (1977). Additional evidence for the discontinuous transition is given by the observation of a bifurcation in the material’s viscosity during constant stress experiments Cruz et al. (2002).

In addition to the connection with the jamming transition, the coexistence of a flowing and jammed state is one example of another feature of some jammed systems: shear localization Howell et al. (1999); Mueth et al. (2000); Losert et al. (2000); Debrégeas et al. (2001); Bocquet et al. (2001); Salmon et al. (2003). In general, shear localization (or banding) refers to a flow state which is spatially separated into a regions of different shear rates. For wormlike micelles, shear banding has been observed in which there is a discontinuous transition from a high shear rate region to a low shear rate region Salmon et al. (2003). Experiments in granular systems Howell et al. (1999); Mueth et al. (2000); Losert et al. (2000); Bocquet et al. (2001) and confined foam Debrégeas et al. (2001) report a type of shear localization in which the velocity profile is exponential. In these cases, the shear rate is continuous, though the system is effectively divided into high shear rate and zero shear rate regions. Simulations of Lennard-Jones particles Varnik et al. (2003) and quasi-static foam Kabla and Debrégeas (2003) confirm that shear localization can occur independent of the existence of a yield stress. In the case of quasi-static foam, the simulations suggest that a key element is the localization of slip events Kabla and Debrégeas (2003). Understanding the different sources of shear-localization will contribute to a better understanding of the jamming phase diagram.

In this Letter, we confirm the coexistence between a flowing and a jammed state for slow, steady shear of a bubble raft. By considering the behavior on relatively short time scales, we show the connection between fluctuations that occur in the stress and the nonlinear flow events that comprise the unjammed state. This provides insight into the connection between the individual bubble motions and the observed average flow properties. The average stress versus rate of strain curves have been measured separately Pratt and Dennin (2003). These curves are consistent with a Herschel-Bulkley model for the system. However, in light of the velocity measurements reported here, it is important to reconsider the interpretation of those results.

A bubble raft consists of a single layer of bubbles floating on a fluid surface Argon and Kuo (1979). Our bubble raft is described in detail in Ref. Lauridsen et al. (2002). A random distribution of bubble sizes was used, with an average radius of $`1\mathrm{mm}`$. The Couette viscometer is described in detail in Ref. Ghaskadvi and Dennin (1998). To shear the foam, an outer Teflon barrier is rotated at a constant angular velocity. We measure the azimuthal velocity, $`v_\theta (r)`$. The shear rate is given by $`\dot{\gamma }(r)=r\frac{d}{dr}\frac{v_\theta (r)}{r}`$ Bird et al. (1977). Therefore, we considered the normalized angular velocity, $`v(r)=v_\theta (r)/(\mathrm{\Omega }r)`$, where the jammed state is $`v(r)=1`$, or $`\dot{\gamma }=0`$. The stress, $`\sigma (r_i)`$, on the inner cylinder was monitored by measuring the torque, $`T`$, on the inner cylinder: $`\sigma (r_i)=T/(2\pi r_i^2)`$. The inner cylinder was supported by a torsion wire (torsion constant $`\kappa =570\mathrm{dyne}\mathrm{cm}`$), and $`T`$ was determined from the angular position of the inner cylinder. Therefore, the inner cylinder had an instantaneous angular speed, even though its average angular speed is zero. At both boundaries, the first layer of bubbles was never observed to slip relative to the boundary. This feature combined with the finite size of bubbles set the effective inner ($`r_i=4.3\mathrm{cm}`$) and outer ($`R=7.2\mathrm{cm}`$) radii. We report results for two rotation rates of the outer cylinder, $`\mathrm{\Omega }=8\times 10^4\mathrm{rad}/\mathrm{s}`$ and $`\mathrm{\Omega }=5\times 10^3\mathrm{rad}/\mathrm{s}`$, which corresponds to shear rates (at $`r=4.3\mathrm{cm}`$): $`\dot{\gamma }=4\times 10^3\mathrm{s}^1`$ and $`\dot{\gamma }=3\times 10^2\mathrm{s}^1`$.

The $`<\sigma >`$ versus $`\dot{\gamma }`$ behavior was measured separately and is reported elsewhere Pratt and Dennin (2003). It is consistent with a Herschel-Bulkley form for the viscosity: $`<\sigma (r_i)>=\mu _o\dot{\gamma }^n+\tau _o`$, with $`n=1/3`$, and $`\tau _o=0.8\pm 0.1\mathrm{dyne}/\mathrm{cm}`$. For $`\dot{\gamma }<0.1\mathrm{s}^1`$, the $`<\sigma >`$ was essentially independent of shear rate, though it fluctuated between $`0.5\mathrm{dyne}/\mathrm{cm}`$ and $`2\mathrm{dyne}/\mathrm{cm}`$ Pratt and Dennin (2003). Both shear rates reported on here are within this quasi-static limit. The gas area-fraction was 0.95. As the bubbles are actually three-dimensional, we used an operational definition of gas area-fraction: the ratio of area inside bubbles to the total area of the bubble raft in a digitized image.

The fluid substrate (subphase) is driven at the same time as the bubbles Ghaskadvi and Dennin (1998). Tests were made with bubble rafts that did not touch the outer barrier. Under rotation of the outer barrier, no motion of the bubbles was detected, ruling out driving by the subphase. In addition, because the subphase is sheared with the bubbles, the bubbles and subphase have similar velocities during most of the motion. This minimizes any viscous dissipation between bubbles and water. Also, the effective internal viscosity of the bubble raft is 300 to 2500 g/cm s for the range of $`\dot{\gamma }`$ studied. This is a factor of $`10^4`$ to $`10^5`$ greater than the viscosity of the subphase. This ratio ensures that dissipation between bubbles dominates dissipation from the subphase-bubble interactions.

Bubble velocities were measured from taped video images that were digitized in the computer. For $`\mathrm{\Omega }=8\times 10^4\mathrm{rad}/\mathrm{s}`$, the time between digitized images was 3.2 s/image, and for $`\mathrm{\Omega }=5\times 10^3\mathrm{rad}/\mathrm{s}`$, it was 2.0 s/image. An image processing routine based on standard National Instruments LabwindowsTM/CVI functions detected and tracked individual bubbles. The velocity was calculated using the total displacement of 10 digitized images. This allowed tracking of the rapidly moving bubbles from image to image (short time between individual images) and sufficient total time to measure bubbles as slow as $`6\times 10^4\mathrm{cm}/\mathrm{s}`$ for $`\mathrm{\Omega }=8\times 10^4\mathrm{rad}/\mathrm{s}`$ and $`9\times 10^4\mathrm{cm}/\mathrm{s}`$ for $`\mathrm{\Omega }=5\times 10^3\mathrm{rad}/\mathrm{s}`$. Finally, the bubbles within each of 24 equally spaced radial bands in the range $`4.3r7.2\mathrm{cm}`$ were averaged to compute $`v(r)`$.

Figure 1 is a plot of $`\sigma (r_i)`$ versus time for the velocity data reported on here. The initial elastic regime consists of a linear increase of $`\sigma (r_i)`$ with time. The subsequent “flowing” regime is dominated by irregular variations in the stress characteristic of the slow shear-rate “flow” of many jammed systems Liu and Nagel (2001). For comparison with the flow data presented later, the solid line in Fig. 1 represents $`\tau _o`$ (the “yield stress”) based on the fit of $`<\sigma (r_i)>`$ to a Herschel-Bulkley model Pratt and Dennin (2003). (Given the existence of a discontinuous transition, such a definition of a yield stress may not be meaningful.) For each data set, the dashed line represents the value of $`\sigma (r_i)`$ such that $`\sigma (r_c)=\tau _o`$, assuming $`\sigma (r)=T/(2\pi r^2)`$ Bird et al. (1977). ($`r_c`$ is the radius at which the system jams, see Fig. 2). The dotted line is $`\sigma (r_i)`$ such that $`\sigma (R)=\tau _o`$.

Figure 2 shows $`v(r)`$ versus $`r`$ for $`\mathrm{\Omega }=5\times 10^3\mathrm{rad}/\mathrm{s}`$ for a number of different averages. In each case, the average is computed using bubbles from roughly $`1/3`$ of the system. The solid circles represent an average over $`1000\mathrm{s}`$, starting $`210\mathrm{s}`$ after the initiation of shear. This corresponds to approximately 2800 individual velocities per channel. Defining an event as a consecutive period of stress increase and decrease, the other curves are averaged over a single event ($`\mathrm{}`$), four events ($``$), 10 events ($`\mathrm{}`$), and 20 events ($`\mathrm{}`$), respectively. The 10 event average is in reasonable agreement with $`1000\mathrm{s}`$ average, and the 20 event average (400 s) is indistinguishable from the $`1000\mathrm{s}`$ average. Figure 2 also shows $`v(r)`$ versus $`r`$ for $`\mathrm{\Omega }=8\times 10^4\mathrm{rad}/\mathrm{s}`$. The average covered a total time of $`1020\mathrm{s}`$, starting $`650\mathrm{s}`$ after the initiation of shear. This corresponds to approximately 2000 individual velocities per channel and on the order of 50 events.

To find $`\dot{\gamma }`$ and $`r_c`$, the average velocity is fit to $`v(r)=A+B/r^{2/n}`$ (solid curves) over the range $`0<v(r)<0.98`$. This is the velocity profile for a power-law fluid ($`\sigma (r)r^n`$) in a Couette geometry Bird et al. (1977). A number of aspects of this fit differ from the expected solution for a Herschel-Bulkley fluid. First, there is a discontinuity in $`\dot{\gamma }`$. This is highlighted by the insert in Fig. 2. Here data is shown for three rotation rates, $`\mathrm{\Omega }=5\times 10^3\mathrm{rad}/\mathrm{s}`$, $`\mathrm{\Omega }=8\times 10^4\mathrm{rad}/\mathrm{s}`$, and $`\mathrm{\Omega }=1\times 10^4\mathrm{rad}/\mathrm{s}`$. (For $`\mathrm{\Omega }=1\times 10^4\mathrm{rad}/\mathrm{s}`$, there are only approximately 10 events. Based on the results for $`\mathrm{\Omega }=5\times 10^3\mathrm{rad}/\mathrm{s}`$, this is sufficient to confirm the discontinuity.) Quantitatively, the crossing of the fit to a power-law velocity profile and $`v(r)=1`$ defines the critical radius, $`r_c`$, and critical shear rate, $`\dot{\gamma }(r_c)`$. For $`\mathrm{\Omega }=8\times 10^4\mathrm{rad}/\mathrm{s}`$, $`r_c=6.7\mathrm{cm}`$, and $`\dot{\gamma }(r_c)=6\times 10^4\mathrm{s}^1`$. For $`\mathrm{\Omega }=5\times 10^3\mathrm{rad}/\mathrm{s}`$, $`r_c=6.3\mathrm{cm}`$, and $`\dot{\gamma }(r_c)=4\times 10^3\mathrm{s}^1`$. Unlike in some foam experiments Rodts et al. (2003), the critical shear rate differs for the two speeds. Second, the fits give $`n=0.45\pm 0.05`$ for $`\mathrm{\Omega }=8\times 10^4\mathrm{rad}/\mathrm{s}`$ and $`n=0.33\pm 0.02`$ for $`\mathrm{\Omega }=5\times 10^3\mathrm{rad}/\mathrm{s}`$. For the faster rotation rate, the exponent is in agreement with the exponent in the Herschel-Bulkley fit to the stress Pratt and Dennin (2003) and velocity profiles measured at higher shear rates Lauridsen et al. (2002). However, the measured exponent is different for the two rotation rates, as seen in other systems Coussot et al. (2002).

The trend for average $`r_c`$ is opposite the expectation for a Herschel-Bulkley fluid, where a continuous decrease in $`<\sigma >`$ results in a continuous decrease in $`r_c`$. It is consistent with the measured behavior of $`<\sigma (r_i)>`$ in the quasi-static regime. For $`\mathrm{\Omega }=8\times 10^4\mathrm{rad}/\mathrm{s}`$, the system spends more time at a higher value of stress (see Fig. 1), and $`r_c`$ is larger. This is also different then trends reported in Ref. Coussot et al. (2002) and Rodts et al. (2003). for higher shear-rates in the “continuum” regime. This difference is not surprising given that the behavior in the continuum regime is “smoother” than in the quasi-static, or “discrete”, regime in which we worked.

Figure 3 highlights the importance of considering short-time velocity profiles, in addition to the average quantities. In Fig. 3, plots of velocity profiles averaged over a single stress drop and corresponding snapshots of the bubble motions are shown. The stress drops corresponding to Figs. 3(a)-(d) are indicated by vertical lines in Fig. 1, labelled with corresponding letters. Here, the shear-rate discontinuity is more apparent. The individual velocity profiles are highly nonlinear and not consistent with a simple continuum model for viscosity. As expected $`r_c`$ (the transition point to elastic flow) fluctuates. However, these fluctuations are not consistent with the continuum expectation of $`\sigma 1/r^2`$ that predicts $`r_c=[T/(2\pi \tau _o)]^{1/2}`$, with $`T=2\pi r_i^2\sigma (r_i)`$ Bird et al. (1977). For such a model, stress drop (C) would have the largest value of $`r_c`$ given its value of $`\sigma (r_i)`$. However, $`r_c`$ is greater for both (D) and (B). This behavior is indicative of stress chains, or other nonuniform stress distributions, existing in the foam, similar to those observed for granular disks in two-dimensions Howell et al. (1999).

Snapshots of the selected bubble motions are presented as inserts in Fig. 3. The images are color coded so that bubbles moving opposite the outer cylinder are black, gray bubbles are moving in the direction of rotation, and white bubbles have $`|v(r)|6\times 10^4\mathrm{cm}/\mathrm{s}`$. The row of bubbles at each boundary is not shown. The snapshots confirm that $`r_c`$ is connected to bubble rearrangements. Both (B) and (D) have the largest $`r_c`$ and radial position at which negative velocities are observed (see circled region in Fig. 3b).

In summary, we have observed the coexistence of a jammed and a flowing state in a bubble raft in the quasi-static shear limit, as has been observed for other soft matter systems at higher shear-rates Coussot et al. (2002). For the average velocity profiles, the transition appears to be discontinuous and occurs at a critical radius set by the yield stress. These are two ways that the average profiles for the bubble raft differ from observed exponential shear-localization in confined, two-dimensional foam Debrégeas et al. (2001) and granular systems Howell et al. (1999); Mueth et al. (2000); Losert et al. (2000); Bocquet et al. (2001). For these systems, the critical radius is significantly smaller and the shear-rate is continuous. At this point, the reasons for the differences are not clear, though one potential candidate is the role of viscous dissipation. For the confined foam, simulations suggest that the exponential velocity profile observed is due to localization of the nonlinear rearrangements Kabla and Debrégeas (2003). These simulations do not include viscous dissipation Kabla and Debrégeas (2003). Because this localization is not observed in the bubble raft (see Fig. 3, especially event C and D), there may exist differences in the role of viscous dissipation in the bubble raft and the confined foam. Another potential difference is the yield strain, which is quite large in the bubble raft system Lauridsen et al. (2002). This could impact the distribution of rearrangement events. The results of Fig. 3 point to the need to understand the velocity profiles during individual events in order to resolve these outstanding issues regarding the average behavior.

The results presented in Fig. 3 raise two important questions. First, given the highly nonlinear and fluctuating character of the velocities during individual events (see Fig. 3), why does the average velocity converge to a smooth curve after averaging over only 20 such events (and even fewer)? Second, what sets the critical radius for the individual events (Fig. 3) and how is the distribution of $`r_c`$ for these events related to the value of $`r_c`$ found for the long-time averages (Fig. 2)? The determination of the critical radius is particularly interesting given the results presented in Fig. 3 and the work in other systems. Unlike the work in the continuum limit Coussot et al. (2002), $`r_c`$ does not appear to be set by a critical shear rate either for the average profiles (see Fig. 2) or the short-time profiles. In fact, the concept of shear rate is not well-defined for the motion during individual events, and yet each event has a well-defined value of $`r_c`$. For individual events, more work is needed to understand the connection between stress and $`r_c`$. However, $`r_c`$ is clearly not set by the stress on the inner boundary, suggesting the need to understand the stress distribution within the bubble raft. Finally, understanding the connection between the individual and average quantities is necessary to resolve the apparent discrepancy between $`<\sigma >`$ versus $`\dot{\gamma }`$ measurements that suggest a continuous transition and the discontinuous velocity profiles presented here. This is necessary for deeper insight into the implications of the jamming phase diagram for slow, steady-shear.

###### Acknowledgements.

This work was supported by Department of Energy grant DE-FG02-03ED46071, the Research Corporation and Alfred P. Sloan Foundation. J. Lauridsen thanks UROP for additional funding for this work. The authors thank Corey O’Hern and Phillipe Coussot for useful discussions.


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# Comment on ”Low-dimensional spin 𝑆=1/2 system at the quantum critical limit: Na2V3O7”

From the experimentally measured temperature dependence of the magnetic susceptibility $`\chi (T)`$ of Na2V3O7, exhibiting at temperatures below 100 K drastic violation of the Curie-Weiss law, Gavilano et al. 1  have inferred that the effective moment of the V4+ ion in Na2V3O7 is reduced by the one order of magnitude upon reducing the temperature from 100 to 10 K. In the figure 1 of Ref. 1  it is seen that after taking into account the diamagnetic contribution $`\chi _o`$ (= -0.0005 emu/mol f.u.)) the inverse susceptibility shows in the temperature range 100-300 K a straight line behavior with the effective moment peff of 1.9 $`\mu _B`$ per V ion. Another straight line between 20 and 1.9 K implies $`p_{eff}`$ of one order of magnitude smaller. Gavilano et al. provide an explanation that ”The reduction of the effective magnetic moment is most likely due to a gradual process of moment compensation via the formation of singlet spin configurations with most but not all of the ions taking part in this process. This may be the result of antiferromagnetic interactions and geometrical frustration.” They further conjectured, recalling the structural speciality (nanotubes), ”the compensation of eight out of the nine V spins …” in order to reproduce the observed reduction of the effective moment by one order of magnitude. Moreover, they also found that Na2V3O7 shows no sign of the magnetic order down to 1.9 K - we find this experimental observation to be in sharp contradiction with the earlier conclusion about the presence of strong antiferromagnetic interactions.

In this Comment 2  we would like to argue that this drastic violation of the Curie-Weiss law can be understood as caused by well-known conventional phenomena like the crystal field (CEF) interactions but with taking into account the intra-atomic spin-orbit (s-o) coupling for the V4+ ion (3$`d^1`$ configuration). There is the general agreement that in Na2V3O7 there are V4+ ions. Calculations, motivated by Gavilano et al.’s paper, of the electronic structure of the V4+ ion (3$`d^1`$ configuration) under the action of the CEF and s-o interactions with the resulting $`\chi (T)`$ dependences are presented in Ref. 3 . These calculations followed our earlier results 4 ; 5 ; 6 . Refs 5  and 6  have been devoted to the 3$`d^1`$ configuration. Our calculations prove the enormous influence of the spin-orbit coupling and of crystal-field interactions on the temperature dependence of the paramagnetic susceptibility (and other thermodynamical properties) revealing the drastic violation of the Curie-Weiss law at low temperatures. We think that our results are quite obvious for some people, in particular for those having experience with CEF effects in rare-earth compounds and knowing a 70-year-old book of Van Vleck 7 . This Comment is motivated by the subsequent rejection by the Editor of Phys. Rev. Lett. of our paper ”Spin-orbit origin of large reduction of the magnetic moment in in Na2V3O73 , in which we propose our CEF+s-o-based explanation.

In Fig. 1 we present the calculated influence of the spin-orbit coupling and crystal-field interactions on the atomic-scale susceptibility. From this figure the significant departure from the Curie law as well as from the $`S`$=1/2 behavior due to the spin-orbit coupling and distortions is clearly seen, in particular at low temperatures. Curve 3, calculated for the octahedral crystal field $`B_4`$=+200 K, the spin-orbit coupling $`\lambda _{so}`$= +360 K and an off-octahedral trigonal distortion $`B_2^0`$=+9 K, reproduces very well measured experimental data (shown as x in Fig. 1, after Refs 1 ; 8 ) with taking into account the diamagnetic term $`\chi _o`$ of -0.0007 $`\mu _B`$/T V-ion ($``$ -0.0004 emu/mol V)). We treat this coincidence as not fully relevant owing to the much more complex local symmetry of the V4+ ion in Na2V3O7, to a large uncertainty in the evaluation of the diamagnetic term and of the paramagnetic susceptibility measured on a polycrystalline sample. We take, however, the reached agreement as strong argument for the high physical adequacy of our CEF+s-o approach and as strong indication for the existence of the fine electronic structure in Na2V3O7, originating from the V4+ ion, determined by crystal-field and spin-orbit interactions. Very important is the fact that our approach is able to reproduce the overall $`\chi (T)`$ dependence in the full measured temperature range and that it reproduces the absolute value (it is really not trivial result) of the macroscopic magnetic susceptibility. For the recalculation of the microscopic atomic-scale susceptibility we take into account only the number of the V ions involved - here for the molar susceptibility simply the Avogadro number is taken.

The ground state has weak magnetic moment due to the large orbital moment compensating the spin moment. In Na2V3O7 there is a low-energy electronic structure originating from the V4+-ion fine structure like that shown in Fig. 1(4) of ref. 3 . The energy level scheme contains 2 close excited doublets at 58 and 580 K and the Kramers-doublet ground-state moment amounts to $`\pm `$0.21 $`\mu _B`$ (=2$``$($`\pm `$0.23)$``$0.25). It is important to realize that whatever lower symmetry is in case of the V4+ ion 5 Kramers doublets always are. The used parameters $`B_4`$ (+200 K), $`\lambda _{so}`$ (+360 K $``$ 31 meV) and $`B_2^0`$ (+9 K) have clear physical meaning.

These both theoretical approaches can be experimentally distinguished. In the approach of Ref. 1 only 1/9 vanadium atoms contribute to the susceptibility at low temperatures whereas in the QUASST approach all vanadium atoms basically equally weakly contribute to $`\chi `$. But for searching for the truth the open exchange of information and the open discussion must be gwaranteed. Moreover, our approach allows to calculate a number of zero-temperature properties, the low-energy electronic structure and other thermodynamical properties like has been presented in Refs 5 ; 6 ; 7 ; 9 ; 10 ; 11 ; 12 ; 13 . All of them can be experimentally verified, the low-energy electronic structure by the EPR spectroscopy for instance, in contrary to explanation of Ref. 1 . We hope that this discussion will help to solve the very serious scientific problem about the role played by the spin-orbit interactions and by orbital magnetism in 3$`d`$-atom containing compounds.

In conclusion, we argue that well-established phenomena like the spin-orbit coupling, even quite weak, crystal-field interactions of low symmetry and the orbital magnetism have to be taken into consideration for explanation of non-trivial electronic and magnetic properties of Na2V3O7 before other exotic mechanisms are proposed.


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# The Cores of the Fe K Lines in Seyfert I Galaxies Observed by the Chandra High Energy Grating

## 1 INTRODUCTION

At least part of the Fe K$`\alpha `$ fluorescent emission line in type I active galactic nuclei (AGNs) is believed to originate in a relativistic accretion disk around a black hole (e.g. see reviews by Fabian et al. 2000; Reynolds & Nowak 2003). The dominant peak energy of the Fe K$`\alpha `$ line at $`6.4`$ keV appears to be ubiquitous and this core of the line carries a substantial fraction of the total line flux (e.g. Nandra et al. 1997a; Sulentic et al. 1998; Lubiński & Zdziarski 2001; Weaver, Gelbord, & Yaqoob 2001; Yaqoob et al. 2002; Perola et al. 2002; Reeves 2002). Often, the broad part of the Fe K$`\alpha `$ line is absent, leaving only the narrow core. It has been traditional to associate such narrow Fe K$`\alpha `$ lines with an origin in distant matter, at least several thousand gravitational radii from the putative black hole (e.g. the optical broad-line region (BLR), the putative obscuring torus, or the optical narrow-line region (NLR)). However, Petrucci et al. (2002) recently reported a variable, narrow Fe K$`\alpha `$ line in Mkn 841, supporting an accretion-disk origin. Moreover, rapidly variable, narrow Fe K line emission has been observed in the Seyfert I galaxy NGC 7314 (Yaqoob et al. 2003a). Thus, even narrow Fe K$`\alpha `$ lines may have a significant contribution from the accretion disk (Lee et al. 2002; Yaqoob et al. 2003a). While such lines may be interpreted in terms of a truncated disk (e.g. Done, Madejski, & Życki 2000), they could be due to low-inclination angle disks with a flat radial line emissivity (i.e. intensity per unit area falling off with radius more slowly than $`r^2`$).

In this paper we address two very specific questions, using the Chandra high energy grating transmission spectrometer (HETGS; see Markert et al. 1995), which affords the best spectral resolution currently available at 6.4 keV ($`39`$ eV, or $`1860\mathrm{km}\mathrm{s}^1`$ FWHM). Namely, for a sample of type I AGNs, what are the energies of the peaks of the Fe K line emission and are these line cores resolved by Chandra? This information can give important clues about the ionization state of Fe responsible for the line emission, and its origin. With Chandra we can measure the peak energies with better precision than ASCA, at least by a factor of four.

We note that, due to the small throughput of the HETGS (especially above $`7`$ keV), it is very difficult for the grating data to constrain the parameters of any underlying broad Fe K$`\alpha `$ line emission. However, in a different study we shall systematically compare the total Fe K$`\alpha `$ line emission observed with Chandra and ASCA data and show that, aside from variability in some sources, there is good agreement between the two sets of data. We emphasize that even though the Chandra data for most type I AGN show narrow Fe K$`\alpha `$ line peaks, this by no means indicates that there is no broad Fe K$`\alpha `$ line emission.

## 2 OBSERVATIONS AND DATA

Our study is based on eighteen observations of fifteen type I AGN (see Table 1) with $`z<0.05`$ observed with HETGS, that were in the Chandra public archives as of 2003, July 1, and had a total, first-order, HEG count rate higher than 0.05 ct/s. Blazars, BL Lac objects, and AGN that are intermediate between type I and type II were excluded from the study. Details of all the observations can be found from the Chandra public archive111http://cda.harvard.edu:9011/chaser/. Three sources were observed more than once: NGC 3516, NGC 5548, and NGC 3783. For NGC 3516, observation IDs 2080 and 2431 were combined since they occurred on consecutive days, whilst observation ID 2482 was treated separately (see also Turner et al. 2002). The two observations of NGC 5548 were treated separately. For NGC 3783, six observations were at first treated separately but we found that the Fe K line parameters were consistent with no variability, so here we report the results from the $`850`$ ks spectrum combined from five snapshots taken during a monitoring campaign but treated this separately from an observation made a year earlier. Detailed results from the monitoring campaign will be presented elsewhere (Yaqoob et al., in preparation; see also Kaspi et al. 2002, and Netzer et al. 2003).

HETGS consists of two grating assemblies, a High-Energy Grating (HEG) and a Medium-Energy Grating (MEG), and it is the HEG that achieves the highest spectral resolution. The MEG has only half of the spectral resolution of the HEG and less effective area in the Fe-K band, so our study will focus on the HEG data.

The Chandra data were reduced and HEG spectra made, exactly as described in Yaqoob et al. (2003b). We used only the first orders of the grating data (combining the positive and negative arms). The mean HEG count rates ranged from $`0.087`$ ct/s for the weakest source (NGC 3227) to $`1.16\pm 0.006`$ for the brightest source (IC 4329a). The exposure time ranged from $`40`$ ks to $`850`$ ks, but was $`60100`$ ks for most of the sources. Background was not subtracted since it is negligible over the energy range of interest (e.g. see Yaqoob et al. 2003a). Note that the systematic uncertainty in the HEG wavelength scale is $`433\mathrm{km}\mathrm{s}^1`$ ($`11`$ eV) at 6.4 keV 222http://space.mit.edu/CXC/calib/hetgcal.html.

## 3 SPECTRAL FITTING RESULTS

We used XSPEC v11.2 (Arnaud 1996) for spectral fitting. Since we are interested in utilizing the highest possible spectral resolution available, we used spectra binned at $`0.0025\AA `$, and this amply oversamples the HEG resolution ($`0.012\AA `$ FWHM). The $`C`$-statistic was used for minimization. All model parameters will be referred to the source frame. Our method is simply to fit a simple power-law plus Gaussian emission-line model over the 2–7 keV band for each spectrum. NGC 3516 required photoelectric absorption to fit the continuum. Also, for NGC 7314 the analysis was more complex, involving emission from multiple ionization states of Fe, and has already been described in detail in Yaqoob et al. (2003a). The results presented here for NGC 7314 are for the 6.4 keV line component only (which is unresolved) and have been taken from Yaqoob et al. (2003a), changing only the confidence levels of the quoted statistical errors so that they are consistent with the rest of the sample. For Akn 564 an Fe K emission line was not detected: $`C`$ decreased by 0.9 ($`<68\%`$ confidence for the addition of one free parameter) when a narrow (FWHM much less than the instrument resolution) emission line at 6.4 keV was added to a power-law only. Thus, we obtained upper limits on the equivalent width (EW). A significant Fe K emission line has been detected in Akn 564 with ASCA (Turner et al. 2001). The reason for the non-detection by the HEG is likely to be due to the very steep continuum and the small effective area of the HEG. The line was only weakly detected during recent XMM-Newton observations (Vignali et al. 2003), but the signal-to-noise of those data was still much less than that of the ASCA data. In the case of NGC 3227 and Mkn 766 the detection of an Fe K line was marginal: $`C`$ decreased by 4.5 and 7.0 respectively, when a narrow Gaussian was added to a power-law model only. In this case we were able to obtain constraints on the line energy and EW, so the Gaussian model had two free parameters. Thus, the lines were detected with $`<90\%`$ and $`<95\%`$ confidence in NGC 3227 and Mkn 766 respectively. Note that a strong Fe K line has been detected in NGC 3227 by XMM-Newton (Gondoin et al. 2003), and complex Fe K emission has been observed in Mkn 766 by XMM-Newton (Pounds et al. 2003). For the remaining spectra the Gaussian component had three free parameters (line center energy, width, and intensity). Thus, except for the three cases mentioned above, the model had five free parameters in total, including the continuum slope and normalization.

We used the ‘goodness’ command in XSPEC to assess the goodness of the fits: this command performs Monte Carlo simulations of spectra using the best-fitting model and gives the percentage of the simulated spectra that had a fit statistic less than that obtained from the fit to the real data. A value of 50% is expected if the best-fitting model is a good representation of the data. Values much less than 50% indicate that the data are over-parameterized by the model since random statistical fluctuations in the majority of the simulated spectra are not able to produce a fit statistic as low as that obtained from the real data. In the opposite limit, when 100% of the simulated spectra have a fit statistic less than that obtained from the real data, the fit is clearly poor.

Good fits were obtained for all spectra except for NGC 3783(2), the long $`850`$ ks observation, in which the continuum is complicated by a warm absorber that affects the spectrum even above 2 keV (e.g. see Kaspi et al. 2002, and Netzer et al. 2003). However, this has little impact on the deduced parameters of the Fe K$`\alpha `$ line which are in fact consistent with those obtained by Kaspi et al. (2002) and Netzer et al. (2003), who used a more complex continuum. The line parameters, including the intensity, are also consistent with those measured from a non-simultaneous XMM-Newton observation (Reeves et al. 2004), for which a warm absorber was also included in the continuum modeling.

Excluding Akn 564, NGC 3227, and Mkn 766, the Fe K$`\alpha `$ line core was detected at a confidence level $`>3\sigma `$ (corresponding to a decrease in $`C`$ greater than 14.16 when a Gaussian with three free parameters was added to the continuum). Five of these fifteen spectra gave ‘goodness’ values less than 50%. Two of these were close to 50% (NGC 4051: 49%, F 9: 47%) so the data are likely not over-parameterized. Also, $`C`$ decreased by 33.2 and 26.6 for NGC 4051 and F 9 respectively, when a three-parameter Gaussian model was added to the continuum model. Thus the line-emission was detected at a confidence level $`>5\sigma `$ and $`>4\sigma `$ in NGC 4051 and F 9 respectively. In the other three cases, the goodness values were 32% (Mkn 509), 10% (NGC 3516(2)), and 7%(NGC 5548(1)). In the case of Mkn 509, when the data were modeled without an emission line, the ‘goodness’ value was 40%, still less than 50%, indicating that the signal-to-noise over the entire energy band is poor. The decrease in $`C`$ when a Gaussian is added to the continuum is 16.8, which still corresponds to a detection at a confidence level $`>3\sigma `$, for the addition of three free parameters. For NGC 3516(1), the ‘goodness’ value increases from 10% to 69% when the emission line is removed and the data fitted with a continuum only. The addition of a three-parameter Gaussian to the continuum decreases $`C`$ by 111.4, confirming what is evident from the spectrum in Fig. 1, that the line emission is highly significant and required by the data. In the case of NGC 5548(1), removing the emission line and fitting a continuum only, increases the ‘goodness’ value from 7% to 18%, still below 50%. However, the addition of a three-parameter Gaussian to the continuum decreases $`C`$ by 35.0, indicating that the Fe K$`\alpha `$ line is detected at a confidence level $`>5\sigma `$. The low values of the ‘goodness’ parameter are due to poor signal-to-noise over the whole energy band since a simple two-parameter continuum gives a ‘goodness’ value much less than 50%.

Although the Fe K$`\alpha `$ line consists of two components ($`K\alpha _1`$ and $`K\alpha _2`$, separated by 13 eV), we modeled it as a single Gaussian, since it was shown in Yaqoob et al. (2001), that with the spectral resolution of the HEG, there is a negligible impact on the measured line width. Some broadening may also result from the presence of line emission from more than one ionization state of Fe. However, we do not interpret the measured FWHM velocities literally. Also, the use of a single Gaussian (without any attempt to model the underlying broad Fe K$`\alpha `$ emission) also has a negligible impact on the measured center energy of the core, the line intensity and EW (see Yaqoob et al. 2001). Again, we only interpret the line intensity and EW qualitatively. Furthermore, one of the reasons for measuring the width of the line core is to obtain clues about any underlying broad Fe K$`\alpha `$ line component.

The best-fitting emission-line parameters for each spectrum are shown in Table 1 (as well as extrapolated 2–10 keV fluxes and luminosities). Note that since the models were fitted by first folding through the instrument response before comparing with the data, the derived line parameters do not need to be corrected for instrumental response. In order that the results can used for future statistical analyses the statistical errors shown correspond to 68% confidence ($`\mathrm{\Delta }C=3.506,2.279`$, or 0.989, depending on whether there were 3, 2 or 1 free parameter(s) free in the Gaussian component). However, as a more conservative measure, the 90% confidence range for each line parameter is also given in Table 1. Fig. 1 shows each of the eighteen spectra in the Fe K region, corrected for instrumental efficiency and cosomological redshift. The spectra are binned at $`0.01\AA `$, similar to the HEG spectral resolution of $`0.012\AA `$, so broad features are not readily discernable in this representation.

## 4 PROPERTIES OF THE CORE OF THE FE K LINE EMISSION

Fig. 2 shows joint, 99% confidence contours of the line intensity versus line center energy for thirteen of the eighteen spectra, and Fig. 3 shows the 99% confidence contours of the line EW versus FWHM width for the same spectra. Excluded were Mkn 766, NGC 3227, and Akn 564, (since the constraints on the line parameters are poor), the short, first observation of NGC 3783 (since the later observation had $`20`$ times the exposure time), and NGC 7314 (that has complex Fe K emission from multiple ionization states: see Yaqoob et al. 2003a).

Fig. 2 and Fig. 3 show the results for the eleven sources, split into two groups. Group 1 (Fig. 2 (a) and Fig. 3 (a)) is comprised of NGC 3516, Mkn 509, NGC 5548, 3C 120, NGC 3783, and MCG $``$6-30-15. Group 2 (Fig. 2 (b) and Fig. 3 (b)) is comprised of NGC 4593, Mkn 279, NGC 4051, IC 4329a, and F 9. Roughly speaking, group 1 AGN have more prominent narrow Fe K line cores than group 2, as evidenced by the larger contours for group 2. In fact, for NGC 4593 and NGC 4051 the 99% contours could not be well constrained because when the Gaussian is very broad, there is a lot of interaction between the line width and the continuum slope, particularly if there is a reflection continuum, which we have not modeled here. Therefore we constructed additional contours for all the sources by fixing the power-law slope at the best-fitting value for each source. These contours are shown with dashed lines in Fig. 2 (b) and Fig. 3 (b). For the group 1 sources, the differences between the two sets of contours were negligible so they are not shown for the sake of clarity.

We emphasize that the size of the 99% contours is not simply a function of signal-to-noise of the data. To illustrate this point, we have included a group 1 contour (NGC 5548, first observation) in the group 2 plots. We can compare this with F 9, that has the largest contours of all eleven sources. Now, the total number of photons in the 5–7 keV band in the NGC 5548 and F 9 spectra is 1240 and 1146 respectively. Thus, the significant differences in the sizes of the contours for the two sources are due to intrinsic differences in the emission-line profile, not just signal-to-noise. Furthermore, since NGC 5548 and F 9 have the lowest signal-to-noise spectra of the eleven sources, we can conclude that the relative differences in the contours in general may be due to intrinsic differences in the line shape.

Physically, what this means is that the group 1 sources have Fe K line emission, that at the very peak is dominated by a low-velocity emission component that is near the rest-energy of Fe i $`K\alpha `$. This does not, of course, mean that group 1 sources do not necessarily have broad Fe K$`\alpha `$ line components. Indeed, MCG $``$6-30-15 is in group 1, but it has the strongest and broadest Fe K$`\alpha `$ line yet observed in an AGN. It simply means that our single-Gaussian fits are picking up a narrow component at $`6.4`$ keV that stands prominently above the underlying broad line because the latter is spread out over such a large energy range. In the group 2 sources, the peak line emission at $`6.4`$ keV is not dominated by a narrow component, but has a significant contribution from an underlying broad component. This could be because the narrow component is weaker relative to the broad component than it is in group 1, or it could mean that the broad component is narrower than it is in group 1.

We obtained a weighted mean line center energy of $`6.399\pm 0.003`$ keV for the seventeen out of eighteen spectra in which the line energy could be measured (see Table 1). Omitting NGC 3783(2) to avoid bias due to the very deep, $`850`$ ks exposure of this AGN, we obtained $`6.404\pm 0.005`$ keV. Here, for the calculation of the weighted mean of any quantity with asymmetric errors, we simply assume symmetric errors, using the largest 68% confidence error in Table 1. The weighted mean FWHM of the Fe K$`\alpha `$ line cores for the fourteen data sets for which it could be measured, is $`1850\pm 360\mathrm{km}\mathrm{s}^1`$. Without NGC 3783(2) it is $`2380\pm 760\mathrm{km}\mathrm{s}^1`$. For the eight group 1 observations of six AGN (see Fig. 2 (a) and Fig. 3 (a)), the weighted mean line center energy and FWHM is $`6.398\pm 0.003`$ keV and $`1756\pm 366\mathrm{km}\mathrm{s}^1`$ respectively. For the five observations of the five sources in group 2 (see Fig. 2 (b) and Fig. 3 (b)), the weighted mean line center energy and FWHM is $`6.406\pm 0.023`$ and $`5831\pm 4046\mathrm{km}\mathrm{s}^1`$ respectively. At 99% confidence, the Chandra HEG resolves the narrow component of the Fe K$`\alpha `$ emission in three group 1 spectra (NGC 3516(2), NGC 3783(2), and NGC 5548(1)), and three group 2 spectra (Mkn 279, NGC 4051, and F 9). Interestingly, in NGC 3516 and NGC 5548 (which have multiple observations), the line is resolved in the lower signal-to-noise spectrum in each case. In each source the continuum level appears to be similar for the pair of observations. Therefore there appears to be real variability in the line width on a timescale of months to years, which indicates a change in the dominant distance of the line emission relative to the putative central black hole. Alternatively, it may be that there is a variable broad accretion-disk component affecting the measured width of the line core.

Fig. 2 (a) shows that for NGC 3516, NGC 3783, and NGC 5548 the 99% contours of line intensity versus center energy are less than $`80`$ eV wide and are fairly symmetrical about 6.400 keV. Thus, in these AGN, the narrow Fe K$`\alpha `$ component detected by the HETGS is predominantly from distant matter. The FWHM contours in Fig. 3 suggest an origin at the location of the optical BLR and/or beyond (see also Yaqoob et al. 2001; Kaspi et al. 2002; Page et al. 2003). Due to the symmetry of the contours around 6.400 keV, the 99% confidence bounds imply that most of the Fe must be less ionized than Fe xv or so, with Fe i being the most likely ionization state. For 3C 120 and Mkn 509, the 99% intensity versus energy contours are $`70`$ and $`90`$ eV wide, respectively, and both contours are centered significantly above 6.400 keV (by $`25`$ eV). For these two sources, the most dominant ionization stage is likely to be Fe xvii or so, but the 99% contours do not rule out anything in the range Fe i to Fe xix. We note that 3C 120 and Mkn 509 are two of the most luminous sources in the sample (see Table 1) so a higher ionization state for the line-emitting matter may be commensurate with this (e.g. see Nandra et al. 1997b). Thus, not only is the origin of the entire Fe K$`\alpha `$ line emission in these two sources controversial (3C 120: see Zdziarski & Grandi 2001; Mkn 509: see Pounds et al. 2001; Page, Davis, & Salvi 2003; De Rosa et al. 2003), the origin of the peak emission is also ambiguous.

The last source, MCG$``$6-30-15, has the widest intensity versus energy contour ($`170`$ eV) in group 1, so the narrow Fe K$`\alpha `$ line component in this case clearly is being affected by the underlying broad line. Since the contour is symmetric about 6.4 keV, the ionization state is likely to be low (but the 99% upper limit allow ionization states up to Fe xvii). We note that the EW of the narrow-line component is about the same as that obtained by Wilms et al. (2001) and Ballantyne, Ross, & Fabian (2001) who included it in a complex broad plus narrow-line model applied to XMM-Newton data.

Strictly speaking, in all six of the group 1 sources, we cannot rule out higher ionization states than mentioned, due to the possibility of gravitational redshifts affecting the line peak. However, it seems unlikely that the dominant ionization stage of Fe and the gravitational redshifting would conspire to give a center energy so close to 6.4 keV in four of the six group 1 sources.

Of the five group 2 AGN, the Fe K$`\alpha `$ line cores in three of them are resolved (Mkn 279, NGC 4051, and F 9). This, along with the fact that the 99% contours in both center energy and line width (Fig. 2 (b) and Fig. 3 (b) respectively) are very wide, implies that the line cores in these sources are clearly dominated by a broad line. However, the fact that the line center best-fitting values are still close to 6.4 keV, and the presence of asymmetry in the contours (compared to group 1), means that there is still an important contribution from matter that is in the outer accretion disk or far from it. In NGC 4593 and IC 4329a the line peak is not resolved and is stronger than in the other three group 2 sources, but not as dominant over the broad Fe K$`\alpha `$ emission as it is for the group 1 sources.

Fig. 4 shows the ratios of the spectral data to the simple fitted continuua, in the 3–8 keV band for the group 2 sources. Note that MCG $``$6-30-15 is a group 1 source but still has a strong broad Fe K line component. However, it is not shown in Fig. 4 since a similar plot has already been shown by Lee et al. (2002) and discussed at length. The data in Fig. 4 have been binned at $`0.04\AA `$ so the broad structure of the Fe K line emission in these sources is more readily apparent than in Fig. 1. However, we find that, except for IC 4329a, the signal-to-noise and bandpass of the data are insufficient to provide useful constraints on physical models from spectral fitting. In any case, this is beyond the scope of the present paper, in which we are concerned with measurements of the line cores. IC 4329a is by far the brightest AGN in the sample and detailed modeling of the complex Fe K line emission apparent in Fig. 4 is presented in McKernan, Yaqoob, & Padmanabhan (2004, in preparation). Here we simply note that one interpretation of the data for IC 4329a is that the higher-energy peak in the Fe K complex is due to Fe xxvi  Ly$`\alpha `$ emission. NGC 7314 is the only other source in this Chandra sample with a statistically significant peak near the energy expected for Fe xxvi  Ly$`\alpha `$ (see Yaqoob et al. 2003a). XMM-Newton data for MCG $``$6-30-15 show structure in the line emission above 6.4 keV that could either be interpreted as Fe He-like resonance absorption at $`6.7`$ keV, or Fe H-like emission at $`6.9`$ keV (Fabian et al. 2002). The HEG data are rather ambiguous. He-like absorption may be present but the signal-to-noise is too poor (see also Lee et al. 2002). In our HEG sample, there is marginal evidence for a peak near $`6.9`$ keV in 3C 120, NGC 4593, F 9, and Mkn 766. Aside from NGC 7314, emission from He-like Fe is not evident from any of the other spectra. It is also difficult to rule out He-like resonance absorption in cases where there is an underlying broad Fe K emission line, because one does not know how much broad line emission there is at the resonance energy if some of it has been absorbed.

If the core of the Fe K$`\alpha `$ line originates in an accretion disk we can obtain some simple constraints on the inclination angle and outer radius of emission given that the two Doppler peaks from the outer radius of emission are both contained within the FWHM as measured with our Gaussian fits. Note that the line profile integrated between two radii may not actually have discernable Doppler peaks, but the difference in the energies of the red and blue Doppler horns at the outer radius still sets a firm lower limit on the overall line width, assuming azimuthal symmetry of the line emission. Using a simple Schwarzschild geometry and the approximations in Yaqoob et al. (2003a), the condition that the line centroid is shifted by less than $`ϵ\mathrm{\Delta }E/E_0`$ is $`(r/r_g)>2[1(1ϵ)^2]^1`$, where $`r_gGM/c^2`$. For $`\mathrm{\Delta }E=50`$ eV and $`E_0=6.4`$ keV, $`r>129r_g`$. For the worst case, in which the He-like Fe K line is shifted down to 6.4 keV ($`\mathrm{\Delta }E=280`$ eV, $`E_0=6.7`$ keV), $`r>24r_g`$. Now, for a given outer radius, if the disk inclination is too large, the line will be too broad. The separation of the Doppler peaks from the emission at the outer radius must be less than the FWHM, so $`2\sqrt{r_g/r}\mathrm{sin}\theta <\mathrm{FWHM}/c`$ (e.g. see Yaqoob et al. 2003a). Combining this with the energy shift condition gives $`\mathrm{sin}\theta <(\mathrm{FWHM}/c)(2[1(1ϵ)^2])^{\frac{1}{2}}`$. Thus for the group 1 cases in which the lines are unresolved, using FWHM=$`1860\mathrm{km}\mathrm{s}^1`$ and $`\mathrm{\Delta }E=10`$ eV gives a very tight constraint of $`\theta <4.5^{}`$. For FWHM=$`10,000\mathrm{km}\mathrm{s}^1`$ (more appropriate for 3C 120 and Mkn 509), and $`\mathrm{\Delta }E`$ in the range 25 eV to 280 eV, the upper limit on $`\theta `$ is in the range $`15.5^{}`$ to $`4.6^{}`$ respectively. The constraints on the group 2 sources are obviously much looser. In general, if there is a significant disk contribution to the Fe K$`\alpha `$ line core, aside from the small inclination angle, there must be significant line emissivity at large radii. This would be more easily achieved if the X-ray continuum source illuminating the disk were extended over the disk (for example, the corona) rather than localized at the center of the system. Whether the continuum source is centrally localized or extended, a geometry in which the disk becomes flared at large radii would also help.

Table 1 and Fig. 3 show that the EWs of the Fe K$`\alpha `$ line core are typically in the range $`40200`$ eV. An EW of 40 eV can easily be produced by a column density of $`10^{23}\mathrm{cm}^2`$, covering 35% of the sky as seen from the X-ray continuum source, values that are reasonable for the optical BLR in NGC 5548 (see discussion in Yaqoob et al. 2001). A line core EW of 40 eV could also conceivably be produced by the outer regions of an accretion disk view at small inclination angles (e.g. see George & Fabian 1991). However, values of EW at the higher end of the measured range ($`100200`$ eV) require supersolar iron abundances or anisotropic illumination of the line-emitting matter by the X-ray continuum. Line-emission from a parsec-scale torus structure, that has been invoked in AGN unfication schemes, could also help in accounting for the larger EWs since it could subtend a substantial solid angle at the continuum source and easily contribute another $`50`$ eV to the core EW. If the torus is optically thick a Compton-reflection continuum is predicted, commensurate with the EW of the line emission. In principle this would be a useful observational diagnostic. However, uncertainties in the Compton-thickness of the torus, the iron abundance, the contribution to the reflection continuum from the outer disk, and the amount of line contribution from the (optically-thin) BLR, not to mention the measurement uncertainties in the reflection continuum itself, make it difficult to draw robust conclusions from correlating the line EW with the strength of the reflection continuum. The situation is sufficiently complicated that these tests must be done on a source-by-source basis and is beyond the scope of the present paper. We note also that the precision of our new measurements of peak energy, core FWHM, and EW will allow more stringent tests of alternative models of the origin of the Fe K$`\alpha `$ line emission than has hitherto been possible (e.g. see Sulentic et al. 1998; Elvis 2000).

The authors thank Ian George, Jane Turner, Barry McKernan, James Reeves, Richard Mushotzky, Sergei Nayakshin, Kim Weaver, and Peter Serlemitsos for valuable discussions, and an anonymous referee for helping to improve the paper. Support for this work was provided by NASA through Chandra Award Numbers GO2-2102X, and GO2-3133X issued by the Chandra X-ray Observatory Center, which is operated by the Smithsonian Astrophysical Observatory for and on behalf of the NASA under contract NAS8-39073. The authors also gratefully acknowledge support from NASA grants NCC5-447 (T.Y., U.P.), and NAG5-10769 (T.Y.). This research made use of the HEASARC online data archive services, supported by NASA/GSFC. This research has made use of the NASA/IPAC Extragalactic Database (NED) which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under contract with NASA. The authors are grateful to the Chandra instrument and operations teams for making these observations possible.