Effects of Cutoff Functions of Tersoff Potentials on Molecular Dynamics Simulations of Thermal Transport

Past molecular dynamics studies of thermal transport have predominantly used Stillinger-Weber potentials. As materials continuously shrink, their properties increasingly depend on defect and surface effects. Unfortunately, Stillinger-Weber potentials are best used for diamond-cubic-like bulk crystals. They cannot represent the energies of many metastable phases, nor can they accurately predict the energetics of defective and surface regions. To study nanostructured materials, where these regions can dominate thermal transport, the accuracy of Tersoff potentials in representing these structures is more desirable. Based upon an analysis of thermal transport in a GaN system, we demonstrate that the cutoff function of the existing Tersoff potentials may lead to problems in determining the thermal conductivity. To remedy this issue, improved cutoff schemes are proposed and evaluated

The L_X--M relation of Clusters of Galaxies

We present a new measurement of the scaling relation between X-ray luminosity and total mass for 17,000 galaxy clusters in the maxBCG cluster sample. Stacking sub-samples within fixed ranges of optical richness, N_200, we measure the mean 0.1-2.4 keV X-ray luminosity, , from the ROSAT All-Sky Survey. The mean mass, , is measured from weak gravitational lensing of SDSS background galaxies (Johnston et al. 2007). For 9 <= N_200 < 200, the data are well fit by a power-law, /10^42 h^-2 erg/s = (12.6+1.4-1.3 (stat) +/- 1.6 (sys)) (/10^14 h^-1 M_sun)^1.65+/-0.13. The slope agrees to within 10% with previous estimates based on X-ray selected catalogs, implying that the covariance in L_X and N_200 at fixed halo mass is not large. The luminosity intercent is 30%, or 2\sigma, lower than determined from the X-ray flux-limited sample of Reiprich & Bohringer (2002), assuming hydrostatic equilibrium. This difference could arise from a combination of Malmquist bias and/or systematic error in hydrostatic mass estimates, both of which are expected. The intercept agrees with that derived by Stanek et al. (2006) using a model for the statistical correspondence between clusters and halos in a WMAP3 cosmology with power spectrum normalization sigma_8 = 0.85. Similar exercises applied to future data sets will allow constraints on the covariance among optical and hot gas properties of clusters at fixed mass.Comment: 5 pages, 1 figure, MNRAS accepte

Nonthermal Emission from the Arches Cluster (G0.121+0.017) and the Origin of γ\gamma-ray Emission from 3EG J1746-2851

High resolution VLA observations of the Arches cluster near the Galactic center show evidence of continuum emission at $\lambda$3.6, 6, 20 and 90cm. The continuum emission at $\lambda$90cm is particularly striking because thermal sources generally become optically thick at longer wavelengths and fall off in brightness whereas non-thermal sources increase in brightness. It is argued that the radio emission from this unique source has compact and diffuse components produced by thermal and nonthermal processes, respectively. Compact sources within the cluster arise from stellar winds of mass-losing stars (Lang, Goss & Rodriguez 2001a) whereas diffuse emission is likely to be due to colliding wind shocks of the cluster flow generating relativistic particles due to diffuse shock acceleration. We also discuss the possibility that $\gamma$-ray emission from 3EG J1746--2851, located within 3.3$'$ of the Arches cluster, results from the inverse Compton scattering of the radiation field of the cluster.Comment: 15 pages, four figures, ApJL (in press

Towards More Accurate Molecular Dynamics Calculation of Thermal Conductivity. Case Study: GaN Bulk Crystals

Significant differences exist among literature for thermal conductivity of various systems computed using molecular dynamics simulation. In some cases, unphysical results, for example, negative thermal conductivity, have been found. Using GaN as an example case and the direct non-equilibrium method, extensive molecular dynamics simulations and Monte Carlo analysis of the results have been carried out to quantify the uncertainty level of the molecular dynamics methods and to identify the conditions that can yield sufficiently accurate calculations of thermal conductivity. We found that the errors of the calculations are mainly due to the statistical thermal fluctuations. Extrapolating results to the limit of an infinite-size system tend to magnify the errors and occasionally lead to unphysical results. The error in bulk estimates can be reduced by performing longer time averages using properly selected systems over a range of sample lengths. If the errors in the conductivity estimates associated with each of the sample lengths are kept below a certain threshold, the likelihood of obtaining unphysical bulk values becomes insignificant. Using a Monte-Carlo approach developed here, we have determined the probability distributions for the bulk thermal conductivities obtained using the direct method. We also have observed a nonlinear effect that can become a source of significant errors. For the extremely accurate results presented here, we predict a [0001] GaN thermal conductivity of 185 $\rm{W/K \cdot m}$ at 300 K, 102 $\rm{W/K \cdot m}$ at 500 K, and 74 $\rm{W/K \cdot m}$ at 800 K. Using the insights obtained in the work, we have achieved a corresponding error level (standard deviation) for the bulk (infinite sample length) GaN thermal conductivity of less than 10 $\rm{W/K \cdot m}$, 5 $\rm{W/K \cdot m}$, and 15 $\rm{W/K \cdot m}$ at 300 K, 500 K, and 800 K respectively

High-Resolution, Wide-Field Imaging of the Galactic Center Region at 330 MHz

We present a wide field, sub-arcminute resolution VLA image of the Galactic Center region at 330 MHz. With a resolution of ~ 7" X 12" and an RMS noise of 1.6 mJy/beam, this image represents a significant increase in resolution and sensitivity over the previously published VLA image at this frequency. The improved sensitivity has more than tripled the census of small diameter sources in the region, has resulted in the detection of two new Non Thermal Filaments (NTFs), 18 NTF candidates, 30 pulsar candidates, reveals previously known extended sources in greater detail, and has resulted in the first detection of Sagittarius A* in this frequency range. A version of this paper containing full resolution images may be found at http://lwa.nrl.navy.mil/nord/AAAB.pdf.Comment: Astronomical Journal, Accepted 62 Pages, 21 Figure

A new perspective on GCRT J1745-3009

Two WSRT observations were performed and five archival VLA data were reduced in order to redetect the enigmatic radio transient GCRT J1745-3009. The source was not redetected. We were, however, able to extract important new information from the discovery dataset. Our reanalysis excludes models that predict symmetric bursts, but the transient white dwarf pulsar is favoured. Although we now have more contraints on the properties of this source, we are still unsure about its basic model.Comment: 11 pages, 5 figure

The social value of a QALY : raising the bar or barring the raise?

Background: Since the inception of the National Institute for Health and Clinical Excellence (NICE) in England, there have been questions about the empirical basis for the cost-per-QALY threshold used by NICE and whether QALYs gained by different beneficiaries of health care should be weighted equally. The Social Value of a QALY (SVQ) project, reported in this paper, was commissioned to address these two questions. The results of SVQ were released during a time of considerable debate about the NICE threshold, and authors with differing perspectives have drawn on the SVQ results to support their cases. As these discussions continue, and given the selective use of results by those involved, it is important, therefore, not only to present a summary overview of SVQ, but also for those who conducted the research to contribute to the debate as to its implications for NICE. Discussion: The issue of the threshold was addressed in two ways: first, by combining, via a set of models, the current UK Value of a Prevented Fatality (used in transport policy) with data on fatality age, life expectancy and age-related quality of life; and, second, via a survey designed to test the feasibility of combining respondents’ answers to willingness to pay and health state utility questions to arrive at values of a QALY. Modelling resulted in values of £10,000-£70,000 per QALY. Via survey research, most methods of aggregating the data resulted in values of a QALY of £18,000-£40,000, although others resulted in implausibly high values. An additional survey, addressing the issue of weighting QALYs, used two methods, one indicating that QALYs should not be weighted and the other that greater weight could be given to QALYs gained by some groups. Summary: Although we conducted only a feasibility study and a modelling exercise, neither present compelling evidence for moving the NICE threshold up or down. Some preliminary evidence would indicate it could be moved up for some types of QALY and down for others. While many members of the public appear to be open to the possibility of using somewhat different QALY weights for different groups of beneficiaries, we do not yet have any secure evidence base for introducing such a system

Detection of Sagittarius A* at 330 MHz with the Very Large Array

We report the detection of Sagittarius A*, the radio source associated with our Galaxy's central massive black hole, at 330 MHz with the Very Large Array. Implications for the spectrum and emission processes of Sagittarius A* are discussed and several hypothetical geometries of the central region are considered.Comment: Astrophysical Journal Letters, Accepte

Ancient coins: cluster analysis applied to find a correlation between corrosion process and burial soil characteristics

Although it is well known that any material degrades faster when exposed to an aggressive environment as well as that "aggressive" cannot be univocally defined as depending also on the chemical-physical characteristics of material, few researches on the identification of the most significant parameters influencing the corrosion of metallic object are available

Measuring the mean and scatter of the X-ray luminosity -- optical richness relation for maxBCG galaxy clusters

Determining the scaling relations between galaxy cluster observables requires large samples of uniformly observed clusters. We measure the mean X-ray luminosity--optical richness (L_X--N_200) relation for an approximately volume-limited sample of more than 17,000 optically-selected clusters from the maxBCG catalog spanning the redshift range 0.1<z<0.3. By stacking the X-ray emission from many clusters using ROSAT All-Sky Survey data, we are able to measure mean X-ray luminosities to ~10% (including systematic errors) for clusters in nine independent optical richness bins. In addition, we are able to crudely measure individual X-ray emission from ~800 of the richest clusters. Assuming a log-normal form for the scatter in the L_X--N_200 relation, we measure \sigma_\ln{L}=0.86+/-0.03 at fixed N_200. This scatter is large enough to significantly bias the mean stacked relation. The corrected median relation can be parameterized by L_X = (e^\alpha)(N_200/40)^\beta 10^42 h^-2 ergs/s, where \alpha = 3.57+/-0.08 and \beta = 1.82+/-0.05. We find that X-ray selected clusters are significantly brighter than optically-selected clusters at a given optical richness. This selection bias explains the apparently X-ray underluminous nature of optically-selected cluster catalogs.Comment: 21 pages, 12 figures, revised after referee's comments. ApJ accepte