Reactive Force Field for Proton Diffusion in BaZrO3 using an empirical valence bond approach

A new reactive force field to describe proton diffusion within the solid-oxide fuel cell material BaZrO3 has been derived. Using a quantum mechanical potential energy surface, the parameters of an interatomic potential model to describe hydroxyl groups within both pure and yttrium-doped BaZrO3 have been determined. Reactivity is then incorporated through the use of the empirical valence bond model. Molecular dynamics simulations (EVB-MD) have been performed to explore the diffusion of hydrogen using a stochastic thermostat and barostat whose equations are extended to the isostress-isothermal ensemble. In the low concentration limit, the presence of yttrium is found not to significantly influence the diffusivity of hydrogen, despite the proton having a longer residence time at oxygen adjacent to the dopant. This lack of influence is due to the fact that trapping occurs infrequently, even when the proton diffuses through octahedra adjacent to the dopant. The activation energy for diffusion is found to be 0.42 eV, in good agreement with experimental values, though the prefactor is slightly underestimated.Comment: Corrected titl

Shocks in asymmetric simple exclusion processes of interacting particles

In this paper, we study shocks and related transitions in asymmetric simple exclusion processes of particles with nearest neighbor interactions. We consider two kinds of inter-particle interactions. In one case, the particle-hole symmetry is broken due to the interaction. In the other case, particles have an effective repulsion due to which the particle-current-density drops down near the half filling. These interacting particles move on a one dimensional lattice which is open at both the ends with injection of particles at one end and withdrawal of particles at the other. In addition to this, there are possibilities of attachments or detachments of particles to or from the lattice with certain rates. The hydrodynamic equation that involves the exact particle current-density of the particle conserving system and additional terms taking care of the attachment-detachment kinetics is studied using the techniques of boundary layer analysis.Comment: 10 pages, 8 figure

The Effects of the Food Stamp Program on Energy Balance and Obesity

The Effects of the Food Stamp Program on Energy Balance and ObesityFood Stamp Program (FSP), Supplemental Nutrition Assistance Program (SNAP), obesity, body mass index (BMI), nutrition assistance, Food Consumption/Nutrition/Food Safety, Q18, H53, I12, I18, I38,

The Effects of the Food Stamp Program on Energy Balance and Obesity

The Food Stamp Program (FSP) administered by the U.S. Department of Agriculture (USDA) is the cornerstone of the U.S. federal income and food safety net policy. The FSP has subsidized the food budget for millions of American households for over forty years, spending more than $60 billion per year in recent times. Prior research has demonstrated that women who participate in the FSP are more likely to be overweight or obese than eligible non-participants. This finding raises the concern that the additional income provided by FSP benefits induces participants to eat significantly more calories and gain weight, contributing to the U.S. obesity epidemic. Previous studies of the FSP have yielded mixed results. In this study we develop new conceptual and empirical models linking FSP participation, calorie consumption, physical activity, and weight gain, while controlling for genetic variation, weight history, and other physiological characteristics of individuals. The models enable us to test whether participants gained more weight, ate more calories, or engaged less in physical activity; or if previously omitted variables and individual health characteristics explain the higher prevalence of obesity among female FSP participants. We find a positive relationship between FSP participation and weight gain for a small subset of women. We do not find convincing evidence for the hypothesis that FSP participation causes obesity by increasing caloric consumption, decreasing physical activity, or some combination of the two. Our findings suggest that a positive association between FSP and weight exists, but we find no evidence of a direct causal link from one to the other. The association between weight and FSP likely results from confounding factors that make individuals more likely both to gain weight and to participate in the FSP.Food Stamp Program (FSP), Supplemental Nutrition Assistance Program (SNAP), obesity, body mass index (BMI), nutrition assistance, Agricultural and Food Policy, Food Consumption/Nutrition/Food Safety, Food Security and Poverty, Health Economics and Policy, Q18, H53, I12, I18, I38,

Quantifying Obesity in Economic Research: How Misleading is the Body Mass Index?

Replaced with revised version of paper 07/19/10.Obesity, percent body fat (PBF), body mass index (BMI), economic costs, measurement error, Health Economics and Policy, Research and Development/Tech Change/Emerging Technologies, C52, I10,

Bulk and surface transitions in asymmetric simple exclusion process: Impact on boundary layers

In this paper, we study boundary-induced phase transitions in a particle non-conserving asymmetric simple exclusion process with open boundaries. Using boundary layer analysis, we show that the key signatures of various bulk phase transitions are present in the boundary layers of the density profiles. In addition, we also find possibilities of surface transitions in the low- and high- density phases. The surface transition in the low-density phase provides a more complete description of the non-equilibrium critical point found in this system.Comment: 9 pages including figure