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

The magnetic environment in the central region of nearby galaxies

The central regions of galaxies harbor some of the most extreme physical phenomena, including dense stellar clusters, non-circular motions of molecular clouds and strong and pervasive magnetic field structures. In particular, radio observations have shown that the central few hundred parsecs of our Galaxy has a striking magnetic field configuration. It is not yet clear whether these magnetic structures are unique to our Milky Way or a common feature of all similar galaxies. Therefore, we report on (a) a new radio polarimetric survey of the central 200 pc of the Galaxy to better characterize the magnetic field structure and (b) a search for large-scale and organized magnetized structure in the nuclear regions of nearby galaxies using data from the Very Large Array (VLA) archive. The high angular resolution of the VLA allows us to study the central 1 kpc of the nearest galaxies to search for magnetized nuclear features similar to what is detected in our own Galactic center. Such magnetic features play a important role in the nuclear regions of galaxies in terms of gas transport and the physical conditions of the interstellar medium in this unusual region of galaxies.Comment: 8 pages; Proceedings for "The Universe under the Microscope" (AHAR 2008), held in Bad Honnef (Germany) in April 2008, to be published in Journal of Physics: Conference Series by Institute of Physics Publishing, R. Schoedel, A. Eckart, S. Pfalzner, and E. Ros (eds.

Evidence for a Weak Galactic Center Magnetic Field from Diffuse Low Frequency Nonthermal Radio Emission

New low-frequency 74 and 330 MHz observations of the Galactic center (GC) region reveal the presence of a large-scale (6\arcdeg\times 2\arcdeg) diffuse source of nonthermal synchrotron emission. A minimum energy analysis of this emission yields a total energy of $\sim (\phi^{4/7}f^{3/7})\times 10^{52}$ ergs and a magnetic field strength of $\sim 6(\phi/f)^{2/7}$ \muG (where $\phi$ is the proton to electron energy ratio and $f$ is the filling factor of the synchrotron emitting gas). The equipartition particle energy density is $1.2(\phi/f)^{2/7}$ \evcm, a value consistent with cosmic-ray data. However, the derived magnetic field is several orders of magnitude below the 1 mG field commonly invoked for the GC. With this field the source can be maintained with the SN rate inferred from the GC star formation. Furthermore, a strong magnetic field implies an abnormally low GC cosmic-ray energy density. We conclude that the mean magnetic field in the GC region must be weak, of order 10 \muG (at least on size scales \ga 125\arcsec).Comment: 12 pages, 1 JPEG figure, uses aastex.sty; Accepted for publication, ApJL (2005, published

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

Exploring what lies behind public preferences for avoiding health losses caused by lapses in healthcare safety and patient lifestyle choices

© 2013 Singh et al.; licensee BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0),which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.This article has been made available through the Brunel Open Access Publishing Fund.Background: Although many studies have identified public preferences for prioritising health care interventions based on characteristics of recipient or care, very few of them have examined the reasons for the stated preferences. We conducted an on-line person trade-off (PTO) study (N=1030) to investigate whether the public attach a premium to the avoidance of ill health associated with alternative types of responsibilities: lapses in healthcare safety, those caused by individual action or lifestyle choice; or genetic conditions. We found that the public gave higher priority to prevention of harm in a hospital setting such as preventing hospital associated infections than genetic disorder but drug administration errors were valued similar to genetic disorders. Prevention of staff injuries, lifestyle diseases and sports injuries, were given lower priority. In this paper we aim to understand the reasoning behind the responses by analysing comments provided by respondents to the PTO questions. Method: A majority of the respondents who participated in the survey provided brief comments explaining preferences in free text responses following PTO questions. This qualitative data was transformed into explicit codes conveying similar meanings. An overall coding framework was developed and a reliability test was carried out. Recurrent patterns were identified in each preference group. Comments which challenged the assumptions of hypothetical scenarios were also investigated. Results: NHS causation of illness and a duty of care were the most cited reasons to prioritise lapses in healthcare safety. Personal responsibility dominated responses for lifestyle related contexts, and many respondents mentioned that health loss was the result of the individual’s choice to engage in risky behaviour. A small proportion of responses questioned the assumptions underlying the PTO questions. However excluding these from the main analysis did not affect the conclusions. Conclusion: Although some responses indicated misunderstanding or rejection of assumptions we put forward, the results were still robust. The reasons put forward for responses differed between comparisons but responsibility was the most frequently cited. Most preference elicitation studies only focus on eliciting numerical valuations but allowing for qualitative data can augment understanding of preferences as well as verifying results.EPSRC through the MATCH programme(EP/F063822/1 and EP/G012393/1) and HERG within Brunel University

Measurement of Angular Distributions of Drell-Yan Dimuons in p+pp + p Interactions at 800 GeV/c

We report a measurement of the angular distributions of Drell-Yan dimuons produced using an 800 GeV/c proton beam on a hydrogen target. The polar and azimuthal angular distribution parameters have been extracted over the kinematic range $4.5 < m_{\mu \mu} < 15$ GeV/c$^2$ (excluding the $\Upsilon$ resonance region), $0 < p_T < 4$ GeV/c, and $0 < x_F < 0.8$. The $p+p$ angular distributions are similar to those of $p+d$, and both data sets are compared with models which attribute the $\cos 2 \phi$ distribution either to the presence of the transverse-momentum-dependent Boer-Mulders structure function $h_1^\perp$ or to QCD effects. The data indicate the presence of both mechanisms. The validity of the Lam-Tung relation in $p+p$ Drell-Yan is also tested.Comment: 4 pages, 3 figure

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

How do Zimbabweans value health states?

Background Quality of life weights based on valuations of health states are often used in cost utility analysis and population health measures. This paper reports on an attempt to develop quality of life weights within the Zimbabwe context. Methods 2,384 residents in randomly selected small residential plots of land in a high-density suburb of Harare valued descriptors of 38 health states based on different combinations of the five domains of the EQ-5D (mobility, self-care, usual activities, pain or discomfort and anxiety or depression). The English version of the EQ-5D was used. The time trade-off method was used to determine the values, and 19,020 individual preferences for health states were analysed. A residual maximum likelihood linear mixed model was used to estimate a function for predicting the values of all possible combinations of levels on the five domains. The model was fit to a random subset of two-thirds of the observations, with the remaining observations reserved for analysis of predictive validity. The results were compared to a similar study undertaken in the United Kingdom. Results A credible model was developed to predict the values of states that were not valued directly. In the subset of observations reserved for validation, the mean absolute difference between predicted and observed values was 0.045. All domains of the EQ-5D were found to contribute significantly to the model, both at the moderate and severe levels. Severe pain was found to have the largest negative coefficient, followed by the inability to wash and dress oneself. Conclusion Despite a generally lower education level than their European counterparts, urban Zimbabweans appear to value health states in a consistent manner, and the determination of a global method of establishing quality of life weights may be feasible and valid. However, as the relative weightings of the different domains, although correlated, differed from the standard set of weights recommended by the EuroQol Group, the locally determined coefficients should be used within the Zimbabwean context

Measurement of Angular Distributions of Drell-Yan Dimuons in p + d Interaction at 800 GeV/c

We report a measurement of the angular distributions of Drell-Yan dimuons produced using an 800 GeV/c proton beam on a deuterium target. The muon angular distributions in polar angle $\theta$ and azimuthal angle $\phi$ have been measured over the kinematic range $4.5 < m_{\mu \mu} < 15$ GeV/c$^2$, $0 < p_T < 4$ GeV/c, and $0 < x_F < 0.8$. No significant cos$2\phi$ dependence is found in these proton-induced Drell-Yan data, in contrast to the situation for pion-induced Drell-Yan. The data are compared with expectations from models which attribute the cos$2\phi$ distribution to a QCD vacuum effect or to the presence of the transverse-momentum-dependent Boer-Mulders structure function $h_1^\perp$. Constraints on the magnitude of the sea-quark $h_1^\perp$ structure functions are obtained.Comment: 4 pages, 3 figure