In this paper we extend the difference formulation for radiation transport to the case of a single atomic line. We examine the accuracy, performance and stability of the difference formulation within the framework of the Symbolic Implicit Monte Carlo method. The difference formulation, introduced for thermal radiation by some of the authors, has the unique property that the transport equation is written in terms that become small for thick systems. We find that the difference formulation has a significant advantage over the standard formulation for a thick system. The correct treatment of the line profile, however, requires that the difference formulation in the core of the line be mixed with the standard formulation in the wings and this may limit the advantage of the method. We bypass this problem by using the gray approximation. We develop three Monte Carlo solution methods based on different degrees of implicitness for the treatment of the source terms, and we find only conditional stability unless the source terms are treated fully implicitly.

A series of first principles molecular dynamics and Monte Carlo simulations were carried out for liquid water to assess the validity and reproducibility of different sampling approaches. These simulations include Car-Parrinello molecular dynamics simulations using the program CPMD with different values of the fictitious electron mass in the microcanonical and canonical ensembles, Born-Oppenheimer molecular dynamics using the programs CPMD and CP2K in the microcanonical ensemble, and Metropolis Monte Carlo using CP2K in the canonical ensemble. With the exception of one simulation for 128 water molecules, all other simulations were carried out for systems consisting of 64 molecules. It is found that the structural and thermodynamic properties of these simulations are in excellent agreement with each other as long as adiabatic sampling is maintained in the Car-Parrinello molecular dynamics simulations either by choosing a sufficiently small fictitious mass in the microcanonical ensemble or by Nos{acute e}-Hoover thermostats in the canonical ensemble. Using the Becke-Lee-Yang-Parr exchange and correlation energy functionals and norm-conserving Troullier-Martins or Goedecker-Teter-Hutter pseudopotentials, simulations at a fixed density of 1.0 g/cm{sup 3} and a temperature close to 315 K yield a height of the first peak in the oxygen-oxygen radial distribution function of about 3.0, a classical constant-volume heat …

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It is a well-established fact that cardiovascular health requires periodic exercise during which the human body often experiences significant physical discomfort. It is not obvious to the exerciser that the short-term pain and discomfort has a long-term positive health impact. Many cultures have well-established practices that involve exposing the body to periodic thermal discomfort. Scandinavian saunas and American Indian sweat lodges are two examples. Both are believed to promote health and well-being. Vacations often intentionally include significant thermal discomfort as part of the experience (e.g., sunbathing, and downhill skiing). So people often intentionally make themselves thermally uncomfortable yet the entire foundation of providing the thermal environment in our buildings is done to minimize the percentage of people thermally dissatisfied. We must provide an environment that does not negatively impact short-term health and we need to consider productivity but are our current thermal comfort standards too narrowly defined and do these standards actually contribute to longer-term negative health impacts? This paper examines the possibility that the human body thermoregulatory system has a corollary relationship to the cardiovascular system. It explores the possibility that we have an inherent need to exercise our thermoregulatory system. Potential, physiological, sociological and energy ramifications of these …

Increased deployment of renewable energy (RE) and energy efficiency (EE) is expected to reduce natural gas demand and in turn place downward pressure on gas prices. A number of recent modeling studies include an evaluation of this effect. Based on data compiled from those studies summarized in this paper, each 1% reduction in national natural gas demand appears likely to lead to a long-term average wellhead gas price reduction of 0.75% to 2.5%, with some studies predicting even more sizable reductions. Reductions in wellhead prices will reduce wholesale and retail electricity rates, and will also reduce residential, commercial, and industrial gas bills. We further find that many of these studies appear to represent the potential impact of RE and EE on natural gas prices within the bounds of current knowledge, but that current knowledge of how to estimate this effect is extremely limited. While more research is therefore needed, existing studies suggest that it is not unreasonable to expect that any increase in consumer electricity costs attributable to RE and/or EE deployment may be substantially offset by the corresponding reduction in delivered natural gas prices. This effect represents a wealth transfer (from natural gas producers to consumers) rather than a …

The heavy-ion fusion (HIF) community recently developed a power-plant design that meets the various requirements of accelerators, final focus, chamber transport, and targets. The point design is intended to minimize physics risk and is certainly not optimal for the cost of electricity. Recent chamber-transport simulations, however, indicate that changes in the beam ion species, the convergence angle, and the emittance might allow more-economical designs.

Iodine is an important element in studies of environmental protection and human health, global-scale hydrologic processes and nuclear nonproliferation. Biogeochemical cycling of iodine is complex, because iodine occurs in multiple oxidation states and as inorganic and organic species that may be hydrophilic, atmophilic, and biophilic. In this study, we focused on the sorption and transport behavior of iodine species (iodide, iodate, and 4-iodoaniline) in sediments collected at the Savannah River and Hanford Sites, where anthropogenic {sup 129}I from prior nuclear fuel processing activities poses an environmental risk. We conducted both column and batch experiments to investigate the sorption and transport behavior of iodine, and the sediments we examined exhibit a wide range in organic matter, clay mineralogy, soil pH, and texture. The results of our experiments illustrate complex behavior with various processes occurring, including iodate reduction, irreversible retention or mass loss of iodide, and rate-limited and nonlinear sorption. There was an appreciable iodate reduction to iodide, presumably mediated by the structural Fe(II) in some clay minerals; therefore, careful attention must be given to potential interconversion among species when interpreting the biogeochemical behavior of iodine in the environment. The different iodine species exhibited dramatically different sorption and transport behavior in three …

We observe a dramatic dependence of the extreme ultraviolet (EUV) reflectivity of Mo/Y multilayers on the oxygen content of yttrium. This is explained by a change in microstructure, increase in roughness of the Y layers and not by an increase in absorption due to oxygen in Y layers. We find best reflectivity of 38.4% is achieved with an oxygen content of 25%, which reduces to 32.6% and 29.6% for multilayers manufactured from oxygen free yttrium and 39%-oxygen yttrium, respectively. These results highlight the importance of experimentally determined optical constants as well as interface roughness in multilayer calculations. In addition, lifetime stability of Mo/Y multilayers with different capping layers was monitored for one year. The molybdenum- and palladium-capped samples exhibited low surface roughness and about 4% relative reflectivity loss in one year. The relative reflectivity loss on yttrium-capped sample (yttrium with 39% oxygen) was about 8%. However, the reflectivity loss in all three capping layers occurred within the first 100 days after the deposition and the reflectivity remained stable afterwards.

Yersinia pestis, the etiological agent of plague, is of concern to human health both from an infectious disease and a civilian biodefense perspective. While Y. pestis and Y. pseudotuberculosis share more than 90% DNA homology, they have significantly different clinical manifestations. Plague is often fatal if untreated, yet Y. pseudotuberculosis causes severe intestinal distress and is rarely fatal. A better understanding of host response to these closely related pathogens may help explain the different mechanisms of virulence and pathogenesis that result in such different clinical outcomes. The aim of this study was to characterize host protein expression changes in human monocyte-like U937 cells after exposure to Y. pestis and Y. pseudotuberculosis. In order to gain global proteomic coverage of host response, proteins from cytoplasmic, nuclear and membrane fractions of host cells were studied by 2-dimensional differential gel electrophoresis (2-D DIGE) and relative protein expression differences were quantitated. Differentially expressed proteins, with at least 1.5 fold expression changes and p values of 0.01 or less, were identified by MALDI-MS or LC/MS/MS. With these criteria, differential expression was detected in 16 human proteins after Y. pestis exposure and 13 human proteins after Y. pseudotuberculosis exposure, of which only two of the differentially …

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