We present first-principles calculations of the structural and electronic properties of liquid nitrogen in the pressure-temperature range of 0-200 GPa and 2000-6000 K. The molecular-polymerization and molecular-atomic liquid phase boundaries have been mapped over this region. We find the polymeric liquid to be metallic, similar to what has been reported for the higher-temperature atomic fluid. An explanation of the electronic properties is given based on the structure and bonding character of the transformed liquids. We discuss the structural and bonding differences between the polymeric liquid and insulating solid cubic-gauche nitrogen to explain the differences in their electronic properties. Furthermore, we discuss the mechanism responsible for charge transport in polymeric nitrogen systems to explain the conductivity of the polymeric fluid and the semi-conducting nature of low-temperature amorphous nitrogen.

Over a decade of concerted effort in code development for accelerator applications has resulted in a new set of electromagnetic codes which are based on higher-order finite elements for superior geometry fidelity and better solution accuracy. SLAC's ACE3P code suite is designed to harness the power of massively parallel computers to tackle large complex problems with the increased memory and solve them at greater speed. The US DOE supports the computational science R&D under the SciDAC project to improve the scalability of ACE3P, and provides the high performance computing resources needed for the applications. This paper summarizes the advances in the ACE3P set of codes, explains the capabilities of the modules, and presents results from selected applications covering a range of problems in accelerator science and development important to the Office of Science.

The French Atomic Energy Commission has carried out several experiments including the mini-INCA (INcineration of Actinides) project for the study of minor-actinide transmutation processes in high intensity thermal neutron fluxes, in view of proposing solutions to reduce the radiotoxicity of long-lived nuclear wastes. In this context, a Cm sample enriched in {sup 248}Cm ({approx}97 %) was irradiated in thermal neutron flux at the High Flux Reactor (HFR) of the Laue-Langevin Institute (ILL). This work describes a quadrupole ICP-MS (ICP-QMS) analytical procedure for precise and accurate isotopic composition determination of Cm before sample irradiation and of Cm and Cf after sample irradiation. The factors that affect the accuracy and reproducibility of isotopic ratio measurements by ICP-QMS, such as peak centre correction, detector dead time, mass bias, abundance sensitivity and hydrides formation, instrumental background, and memory blank were carefully evaluated and corrected. Uncertainties of the isotopic ratios, taking into account internal precision of isotope ratio measurements, peak tailing, and hydrides formations ranged from 0.3% to 1.3%. This uncertainties range is quite acceptable for the nuclear data to be used in transmutation studies.

CST Particle Studio combines electromagnetic field simulation, multi-particle tracking, adequate post-processing and advanced probabilistic emission model, which is the most important new capability in multipactor simulation. The emission model includes in simulation the stochastic properties of emission and adds primary electron elastic and inelastic reflection from the surfaces. The simulation of multipactor in coaxial waveguides have been performed to study the effects of the innovations on the multipactor threshold and the range over which multipactor can occur. The results compared with available previous experiments and simulations as well as the technique of MP simulation with CST PS are presented and discussed.

The SLAC 3km linear electron accelerator has been cut at the two-thirds point to provide beams to two independent programs. The last third provides the electron beam for the Linac Coherent Light Source (LCLS), leaving the first two-thirds available for FACET, the new experimental facility for accelerator science and test beams. In this paper, we describe this separation and projects to prepare the linac for the FACET experimental program.

We developed an experimental method to measure neutron energy spectrum for 120-GeV protons on a thick copper target at Fermilab Test Beam Facility (FTBF). The spectrum in the energy range from 16 to 1600 MeV was obtained for 60-cm long copper target by time-of-flight technique with an NE213 scintillator and 5.5-m flight path. Energy spectra of neutrons generated from an interaction with beam and materials are important to design shielding structure of high energy accelerators. Until now, the energy spectra for the incident energy up to 3 GeV have been measured by several groups, Ishibashi et al., Amian et al., and Leray et al. In the energy region above 3 GeV, few experimental data are available because of small number of facilities for neutron experiment. On the other hand, concerning simulation codes, theoretical models for particle generation and transportation are switched from intermediate to high energy one around this energy. The spectra calculated by the codes have not been examined using experimental data. In shielding experiments using 120 GeV hadron beam, experimental data shows systematic differences from calculations. Hagiwara et al. have measured leakage neutron spectra behind iron and concrete shield from 120 GeV proton on target at anti-proton target …

Verification and validation of design and modeling activities for radioisotope powered Mars Hopper platforms undertaken at the Center for Space Nuclear Research is essential for proof of concept. Previous research at the center has driven the selection of advanced material combinations; some of which require specialized handling capabilities. The development of a closed and contained test facility to forward this research is discussed within this paper.

Concentrating photovoltaic (CPV) systems have great potential to reduce photovoltaic (PV) electricity costs because of the relatively low cost of optical components as compared to PV cells. A transparent polymeric material is used to optically couple the PV cell to optical components and is thus exposed to the concentrated light source at elevated temperatures. In this work polymeric encapsulant materials are positioned close to a Xenon arc lamp to expose them to ultraviolet radiation (UV) that is about 42 times as intense as sunlight. Furthermore, different glass types are used as filters to modify the spectral distribution of light in the UV range. A strong sensitivity of non-silicone-based encapsulants to light below ~350 nm is demonstrated. Of all the materials examined in this study, the polydimethyl silicone samples performed the best. The next best material was an ionomer which maintained optical transmission but became photo-oxidized where exposed to the atmosphere.

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Hydration of ytterbium (III) halide/hydroxide ions produced by electrospray ionization was studied in a quadrupole ion trap mass spectrometer and by density functional theory (DFT). Gas-phase YbX{sub 2}{sup +} and YbX(OH){sup +} (X = OH, Cl, Br, or I) were found to coordinate from one to four water molecules, depending on the ion residence time in the trap. From the time dependence of the hydration steps, relative reaction rates were obtained. It was determined that the second hydration was faster than both the first and third hydrations, and the fourth hydration was the slowest; this ordering reflects a combination of insufficient degrees of freedom for cooling the hot monohydrate ion and decreasing binding energies with increasing hydration number. Hydration energetics and hydrate structures were computed using two approaches of DFT. The relativistic scalar ZORA approach was used with the PBE functional and all-electron TZ2P basis sets; the B3LYP functional was used with the Stuttgart relativistic small-core ANO/ECP basis sets. The parallel experimental and computational results illuminate fundamental aspects of hydration of f-element ion complexes. The experimental observations - kinetics and extent of hydration - are discussed in relationship to the computed structures and energetics of the hydrates. The absence of …

This study is motivated by a reported 1-2% infant mortality rate in concentrator photovoltaic cell assemblies. Approximately 650 bare III-V multi-junction PV cells were initially characterized via electroluminescence imaging and both light and dark current-voltage responses were recorded. The cells were then packaged into receivers and their IV response again evaluated both before and after an outdoor high concentration exposure of at least four hours above 750 DNI. Correlations exist between the initial dark IV characteristic and artifacts found in the EL image. Initial results also suggest that artifacts observed in the bare cell may serve as an indicator for early on-sun degradation, though may not be able to predict the infant mortality population.

Thermal-hydraulics analyses results produced using a combined suite of computational design and analysis codes are presented for the preliminary design of a concept Radioisotope Thermal Rocket (RTR) propulsion system. Modeling of the transient heating and steady state temperatures of the system is presented. Simulation results for propellant blow down during impulsive operation are also presented. The results from this study validate the feasibility of a practical thermally capacitive RTR propulsion system.

This paper makes the simple observation that a fundamental length, or cutoff, in the context of Friedmann-Lemaitre-Robertson-Walker (FRW) cosmology implies very different things than for a static universe. It is argued that it is reasonable to assume that this cutoff is implemented by fixing the number of quantum degrees of freedom per co-moving volume (as opposed to a Planck volume) and the relationship of the vacuum-energy of all of the fields in the theory to the cosmological constant (or dark energy) is re-examined. The restrictions that need to be satisfied by a generic theory to avoid conflicts with current experiments are discussed, and it is shown that in any theory satisfying these constraints knowing the difference between w and minus one allows one to predict w. It is argued that this is a robust result and if this prediction fails the idea of a fundamental cutoff of the type being discussed can be ruled out. Finally, it is observed that, within the context of a specific theory, a co-moving cutoff implies a predictable time variation of fundamental constants. This is accompanied by a general discussion of why this is so, what are the strongest phenomenological limits upon this predicted variation, …

We show that the unmeasured distribution of linearly polarized gluons inside unpolarized hadrons can be directly probed in jet or heavy quark pair production both in electron-hadron and hadron-hadron collisions. We present expressions for the simplest cos 2{phi} asymmetries and estimate their maximal value in the particular case of electron-hadron collisions. Measurements of the linearly polarized gluon distribution in the proton should be feasible in future EIC or LHeC experiments.

Harmful algal blooms (HABs) cause significant economic and ecological damage worldwide. Despite considerable efforts, a comprehensive understanding of the factors that promote these blooms has been lacking, because the biochemical pathways that facilitate their dominance relative to other phytoplankton within specific environments have not been identified. Here, biogeochemical measurements showed that the harmful alga Aureococcus anophagefferens outcompeted co-occurring phytoplankton in estuaries with elevated levels of dissolved organic matter and turbidity and low levels of dissolved inorganic nitrogen. We subsequently sequenced the genome of A. anophagefferens and compared its gene complement with those of six competing phytoplankton species identified through metaproteomics. Using an ecogenomic approach, we specifically focused on gene sets that may facilitate dominance within the environmental conditions present during blooms. A. anophagefferens possesses a larger genome (56 Mbp) and has more genes involved in light harvesting, organic carbon and nitrogen use, and encoding selenium- and metal-requiring enzymes than competing phytoplankton. Genes for the synthesis of microbial deterrents likely permit the proliferation of this species, with reduced mortality losses during blooms. Collectively, these findings suggest that anthropogenic activities resulting in elevated levels of turbidity, organic matter, and metals have opened a niche within coastal ecosystems that ideally suits the unique …

The Gordon Research Conference on Chemical Reactions at Surfaces is dedicated to promoting and advancing the fundamental science of interfacial chemistry and physics by providing surface scientists with the foremost venue for presentation and discussion of research occurring at the frontiers of their fields.

The latest results for the measurement of the CP violating phase {beta}{sub s} in B{sub s}{sup 0} {yields} J/{Psi}{phi} decays, from 5.2 fb{sup -1} integrated luminosity of CDF data are presented. For the first time, this measurement includes the contribution of B{sub s}{sup 0} {yields} J/{Psi}K{sup +}K{sup -} or B{sub s}{sup 0} {yields} J/{Psi}f{sub 0} events to the signal sample, where the f{sub 0} and non-resonant K{sup +}K{sup -} are S-wave states. Additional improvements to the analysis include more than doubling the signal sample, improved selection and particle ID, and fully calibrated flavour tagging for the full dataset. Additionally, the world's most precise single measurements of the B{sub s}{sup 0} lifetime, {tau}{sub s}, and width difference, {Delta}{Gamma}{sub s} are given.

Much effort has been put into determining methods to make accurate thickness measurements, especially at elevated temperatures. An accuracy of +/- 0.001 inches is typically noted for commercial ultrasonic thickness gauges and ultrasonic thickness techniques. Codes and standards put limitations on many inspection factors including equipment, calibration tolerance and temperature variations. These factors are important and should be controlled, but unfortunately do not guarantee accurate and repeatable measurements in the field. Most technicians long for a single technique that is best for every situation, unfortunately, there are no 'silver bullets' when it comes to nondestructive testing. This paper will describe and discuss some of the major contributors to measurement error as well as some advantages and limitations of multiple echo techniques and why multiple echo techniques should be more widely utilized for ultrasonic thickness measurements.

The concentrator photovoltaic (CPV) industry is introducing multiple products into the marketplace, but, as yet, the; community has not embraced a unified method for assessing a nameplate rating. The choices of whether to use 850,; 900, or 1000 W/m2 for the direct-normal irradiance and whether to link the rating to ambient or cell temperature will; affect how CPV modules are rated and compared with other technologies. This paper explores the qualitative and; quantitative ramifications of these choices using data from two multi-junction CPV modules and two flat-plate; modules.

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The authors report a measurement of the branching fractions for B{sup 0} {yields} {pi}{sup -}{ell}{sup +}{nu} and B{sup 0} {yields} {rho}{sup -}{ell}{sup +}{nu} decays using charged and neutral B decays with isospin constraints. They find {beta}(B{sup 0} {yields} {pi}{sup -}{ell}{sup +}{nu}) = (1.41 {+-} 0.05 {+-} 0.07) x 10{sup -4}, and {beta}(B{sup 0} {yields} {rho}{sup -}{ell}{sup +}{nu}) = (1.75 {+-} 0.15 {+-} 0.27) x 10{sup -4}, where the first error is statistical and the second is systematic. They measure {Delta}{beta}/{Delta}q{sup 2}, with 6 q{sup 2} bins for B{sup 0} {yields} {pi}{sup -}{ell}{sup +}{nu} and 3 q{sup 2} bins for B{sup 0} {yields} {rho}{sup -}{ell}{sup +}{nu}, and compare the distributions in data with theoretical predictions for the form factors. They use these branching fractions and form-factor calculations to determine |V{sub ub}|. Based on a combined fit to the FNAL/MILC lattice QCD calculation and data over the full q{sup 2} range, they find |V{sub ub}| = (2.95 {+-} 0.31) x 10{sup -3}.

Abstract. The future of American space exploration depends on the ability to rapidly and economically access locations of interest throughout the solar system. There is a large body of work (both in the US and the Former Soviet Union) that show that Nuclear Thermal Propulsion (NTP) is the most technically mature, advanced propulsion system that can enable this rapid and economical access by its ability to provide a step increase above what is a feasible using a traditional chemical rocket system. For an NTP system to be deployed, the earlier measurements and recent predictions of the performance of the fuel and the reactor system need to be confirmed experimentally prior to launch. Major fuel and reactor system issues to be addressed include fuel performance at temperature, hydrogen compatibility, fission product retention, and restart capability. The prime issue to be addressed for reactor system performance testing involves finding an affordable and environmentally acceptable method to test a range of engine sizes using a combination of nuclear and non-nuclear test facilities. This paper provides an assessment of some of the capabilities and facilities that are available or will be needed to develop and test the nuclear fuel, and reactor components. It will …

CT scanners are deployed world-wide to detect explosives in checked and carry-on baggage. Though very similar to single- and dual-energy multi-slice CT scanners used today in medical imaging, some recently developed explosives detection scanners employ multiple sources and detector arrays to eliminate mechanical rotation of a gantry, photon counting detectors for spectral imaging, and limited number of views to reduce cost. For each bag scanned, the resulting reconstructed images are first processed by automated threat recognition algorithms to screen for explosives and other threats. Human operators review the images only when these automated algorithms report the presence of possible threats. The US Department of Homeland Security (DHS) has requirements for future scanners that include dealing with a larger number of threats, higher probability of detection, lower false alarm rates and lower operating costs. One tactic that DHS is pursuing to achieve these requirements is to augment the capabilities of the established security vendors with third-party algorithm developers. A third-party in this context refers to academics and companies other than the established vendors. DHS is particularly interested in exploring the model that has been used very successfully by the medical imaging industry, in which university researchers develop algorithms that are eventually …

We present first results from in situ characterization of NV-formation in single crystal diamonds following implantation of low energy nitrogen ions (7.7 keV), co-implantation of hydrogen, helium and carbon ions and in situ annealing. Diamond samples were implanted at room temperature or at a temperature of 780{degree} C during the implantation steps. We find that dynamic annealing during co-implantation enhances NV-center formation by up to 25%.