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The authors apply the nonlinear WENO (Weighted Essentially Nonoscillatory) scheme to the spatial discretization of the Boltzmann Transport Equation modeling linear particle transport. The method is a finite volume scheme which ensures not only conservation, but also provides for a more natural handling of boundary conditions, material properties and source terms, as well as an easier parallel implementation and post processing. It is nonlinear in the sense that the stencil depends on the solution at each time step or iteration level. By biasing the gradient calculation towards the stencil with smaller derivatives, the scheme eliminates the Gibb's phenomenon with oscillations of size O(1) and reduces them to O(h{sup r}), where h is the mesh size and r is the order of accuracy. The current implementation is three-dimensional, generalized for unequally spaced meshes, fully parallelized, and up to fifth order accurate (WENO5) in space. For unsteady problems, the resulting nonlinear spatial discretization yields a set of ODE's in time, which in turn is solved via high order implicit time-stepping with error control. For the steady-state case, they need to solve the non-linear system, typically by Newton-Krylov iterations. There are several numerical examples presented to demonstrate the accuracy, non-oscillatory nature and efficiency …

The concepts of international control over technologies and materials in the proliferation sensitive parts of the nuclear fuel cycle, specifically those related to enrichment and reprocessing, have been the subject of many studies and initiatives over the years. For examples: the International Fissionable Material Storage proposal in President Eisenhower's Speech on Atoms for Peace, and in the Charter of the International Atomic Energy Agency (IAEA) when the organization was formed in 1957; the regional nuclear fuel cycle center centers proposed by INFCE in the 80's; and most recently and notably, proposals by Dr. ElBaradei, the Director General of IAEA to limit production and processing of nuclear weapons usable materials to facilities under multinational control; and by U.S. President George W. Bush, to limit enrichment and reprocessing to States that have already full scale, functioning plants. There are other recent proposals on this subject as well. In this paper, the similarities and differences, as well as the effectiveness and challenges in proliferation prevention of these proposals and concepts will be discussed. The intent is to articulate a ''new nuclear regime'' and to develop concrete steps to implement such regime for future nuclear energy and deployment.

An ongoing program at Brookhaven National Laboratory (BNL) consists of improving the efficiency of the Relativistic Heavy Ion Collider (RHIC) cryogenic system and reducing its power consumption. Phase I and I1 of the program addressed plant operational improvements and modifications that resulted in substantial operational cost reduction and improved system reliability and stability, and a compressor input power reduction of 2 MW has been demonstrated. Phase 111, now under way, consists of plans for further increasing the efficiency of the plant by adding a load ''wet'' turbo-expander and its associated heat exchangers at the low temperature end of the plant. This additional stage of cooling at the coldest level will further reduce the required compressor flow and therefore compressor power input. This paper presents the results of the plant characterization, as it is operating presently, as well as the results of the plant simulations of the various planned upgrades for, the plant. The immediate upgrade includes the changes associated with the load expander. The subsequent upgrade will involve the resizing of expander 5 and 6 to increase their efficiencies. The paper summarizes the expected improvement in the plant efficiency and the overall reduction in the compressor power.

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The development of new high-explosive (HE) formulations involves characterizing their safety and performance. Small-scale experiments requiring only a small amount of explosives are of interest because they can facilitate development while minimizing hazards and reducing cost. A detonation-spreading, dent test, called the Floret test, was designed to obtain performance data for new explosives. It utilizes the detonation of about a 1.0 g sample of HE, initiated by an accelerated aluminum flyer. Upon impact, the HE sample detonates and a copper witness plate absorbs the ensuing shock wave. The dent of the plate is then measured and correlated to the energetic output of the HE. Additionally, the dent measurement can be used to compare the performance of different explosives. The Floret test is beneficial because it quickly returns important performance information, while requiring only a small explosive sample. This work will explain the Floret test and discuss some exemplary results.

Electrokinetic (EK) phenomena in sediments arise from relative fluid motion in the pore space, which perturbs the electrostatic equilibrium of the double layer at the grain surface. We have developed EK techniques in the laboratory to monitor acoustic wave propagation in electrolyte-saturated, unconsolidated sediments. Our experimental results indicate that as an acoustic wave travels through electrolyte-saturated sand, it can generate electric potentials greater than 1 mV. A careful study of these potentials was performed using medium-grain sand and loose glass microspheres for a range of pore fluid salinities and ultrasonic frequencies. Experimental results are also shown to compare well with numerical and analytical modeling based on the coupled electrokinetic-Biot theory developed by Pride (1994).

Current, mid-term and long range technologies for detection of pathogens and toxins are briefly described in the context of performance metrics and operational scenarios. Predictive (evolutionary) and speculative (revolutionary) assessments are given with trade-offs identified, where possible, among competing performance goals.

Specific and sensitive ligand-based protein detection assays that employ antibodies or small molecules such as peptides, aptamers, or other small molecules require that the corresponding surface region of the protein be accessible and that there be minimal cross-reactivity with non-target proteins. To reduce the time and cost of laboratory screening efforts for diagnostic reagents, we developed new methods for evaluating and selecting protein surface regions for ligand targeting. We devised combined structure- and sequence-based methods for identifying 3D epitopes and binding pockets on the surface of the A chain of ricin that are conserved with respect to a set of ricin A chains and unique with respect to other proteins. We (1) used structure alignment software to detect structural deviations and extracted from this analysis the residue-residue correspondence, (2) devised a method to compare corresponding residues across sets of ricin structures and structures of closely related proteins, (3) devised a sequence-based approach to determine residue infrequency in local sequence context, and (4) modified a pocket-finding algorithm to identify surface crevices in close proximity to residues determined to be conserved/unique based on our structure- and sequence-based methods. In applying this combined informatics approach to ricin A we identified a conserved/unique pocket …

There has been a significant progress in ab initio approaches to the structure of light nuclei. Starting from realistic two- and three-nucleon interactions the ab initio no-core shell model (NCSM) can predict low-lying levels in p-shell nuclei. It is a challenging task to extend ab initio methods to describe nuclear reactions. In this contribution, we present a brief overview of the NCSM with examples of recent applications as well as the first steps taken toward nuclear reaction applications. In particular, we discuss cross section calculations of p+{sup 6}Li and {sup 6}He+p scattering as well as a calculation of the astrophysically important {sup 7}Be(p, {gamma}){sup 8}B S-factor.

Waveguides were written in fused silica using both a femtosecond fiber laser with a 1 MHz pulse repetition rate and a femtosecond amplified Ti:sapphire laser with a 1 kHz repetition rate. Confocal Raman and fluorescence microscopy were used to study structural changes in the waveguides written with both systems. A broad fluorescence band, centered at 650 nm, associated with non-bridging oxygen hole center (NBOHC) defects was observed after waveguide fabrication with the MHz laser. With the kHz laser system these defects were only observed for pulse energies above 1 {mu}J. Far fewer NBOHC defects were formed with the MHz laser than with kHz writing, possibly due to thermal annealing driven by heat accumulation effects at 1 MHz. When the kHz laser was used with pulse energies below 1 {mu}J, the predominant fluorescence was centered at 550 nm, a band assigned to the presence of silicon clusters (E{prime}{sub {delta}}). We also observed an increase in the intensity of the 605 cm{sup -1} Raman peak relative to the total Raman intensity, corresponding to an increase in the concentration of 3-membered rings in the lines fabricated with both laser systems.

For astrophysical applications, as well as modeling laser-produced plasmas, there is a continual need for equation-of-state data over a wide domain of physical conditions. This paper presents algorithmic aspects for computing the Helmholtz free energy of plasma electrons for temperatures spanning from a few Kelvin to several KeV, and densities ranging from essentially isolated ion conditions to such large compressions that most bound orbitals become delocalized. The objective is high precision results in order to compute pressure and other thermodynamic quantities by numerical differentiation. This approach has the advantage that internal thermodynamic self-consistency is ensured, regardless of the specific physical model, but at the cost of very stringent numerical tolerances for each operation. The computational aspects we address in this paper are faced by any model that relies on input from the quantum mechanical spectrum of a spherically symmetric Hamiltonian operator. The particular physical model we employ is that of INFERNO; of a spherically averaged ion embedded in jellium. An overview of PURGATORIO, a new implementation of the INFERNO equation of state model, is presented. The new algorithm emphasizes a novel decimation scheme for automatically resolving the structure of the continuum density of states, circumventing limitations of the pseudo-R matrix …

We investigate the potential for CO2 monitoring in thenear-surface environment as an approach to exploration for hiddengeothermal systems. Numerical simulations of CO2 migration from a modelhidden geothermal system show that CO2 concentrations can reach highlevels in the shallow subsurface even for relatively low CO2 fluxes.Therefore, subsurface measurements offer an advantage over above-groundmeasurements which are affected by winds that rapidly disperse CO2. Tomeet the challenge of detecting geothermal CO2 emissions within thenatural background variability of CO2, we propose an approach thatintegrates available detection and monitoring techniques with statisticalanalysis and modeling.

There is a general paucity of measured equipment load datafor laboratories and other complex buildings and designers often useestimates based on nameplate rated data or design assumptions from priorprojects. Consequently, peak equipment loads are frequentlyoverestimated, and load variation across laboratory spaces within abuilding is typically underestimated. This results in two design flaws.Firstly, the overestimation of peak equipment loads results in over-sizedHVAC systems, increasing initial construction costs as well as energy usedue to inefficiencies at low part-load operation. Secondly, HVAC systemsthat are designed without accurately accounting for equipment loadvariation across zones can significantly increase simultaneous heatingand cooling, particularly for systems that use zone reheat fortemperature control. Thus, when designing a laboratory HVAC system, theuse of measured equipment load data from a comparable laboratory willsupport right-sizing HVAC systems and optimizing their configuration tominimize simultaneous heating and cooling, saving initial constructioncosts as well as life-cycle energy costs.In this paper, we present datafrom recent studies to support the above thesis. We first presentmeasured equipment load data from two sources: time-series measurementsin several laboratory modules in a university research laboratorybuilding; and peak load data for several facilities recorded in anational energy benchmarking database. We then contrast this measureddata with estimated values that are typically used …

The introduction of ergonomics is an ongoing effort in industrially developing countries and will ultimately require an organized, programmatic approach spanning several countries and organizations. Our preliminary efforts with our partner countries of Viet Nam, Thailand, and Nicaragua have demonstrated that a one-time course is just the first step in a series of necessary events to provide skills and create an infrastructure that will have lasting impact for the host country. To facilitate that any sort of training has a lasting impact, it is recommended that host countries establish a 'contract' with class participants and the guest instructors for at least one follow-up visit so instructors can see the progress and support the participants in current and future efforts. With repeated exchanges, the class participants can become the 'in country experts' and the next generation of ergonomic trainers. Additionally, providing participants with an easy to use hazard assessment tool and methods for evaluating the financial impact of the project (cost/benefit analysis) will assist increase the likelihood of success and establish a foundation for future projects. In the future, developing trade and regionally/culturally specific 'ergonomics toolkits' can help promote broader implementation, especially where training resources may be limited.

The azimuthal Zernike coefficients for shells of Zernike functions with shell numbers n<N may be determined by making measurements at N equally spaced rotational positions. However, these measurements do not determine the coefficients of any of the purely radial Zernike functions. Label the circle that the azimuthal Zernikes are measured in as circle A. Suppose that the azimuthal Zernike coefficients for n<N are also measured in a smaller circle B which is inside circle A but offset so that it is tangent to circle A and so that it has the center of circle A just inside its circular boundary. The diameter of circle B is thus only slightly larger than half the diameter of circle A. From these two sets of measurements, all the Zernike coefficients may be determined for n<N. However, there are usually unknown small rigid body motions of the optic between measurements. Then all the Zernike coefficients for n<N except for piston, tilts, and focus may be determined. We describe the exact mathematical algorithm that does this and describe an interferometer which measures the complete wavefront from pinholes in pinhole aligners. These pinhole aligners are self-contained units which include a fiber optic, focusing optics, and a …

The spectroscopy of neutron-rich {sup 109,110,111,112}Ru nuclei was studied by measuring the prompt {gamma} rays originated from fission fragments, produced by the {sup 238}U({alpha},f) fusion-fission reaction, in coincidence with the detection of both fragments. For {sup 109,111}Ru, both the negative-parity (h{sub 11/2} orbitals) and positive-parity (g{sub 7/2} and/or d{sub 5/2} orbitals) bands were extended to substantially higher spin and excitation energy than known previously. The ground-state and {gamma}-vibrational bands of {sup 110,112}Ru also were extended to higher spin, allowing observation of the second band crossing at the rotational frequency of {approx}450 keV in {sup 112}Ru, which is {approx}50 keV above the first band crossing. At a similar rotational frequency, the first band crossing for the h{sub 11/2} band in {sup 111}Ru was observed, which is absent in {sup 109}Ru. These band crossings most likely are caused by the alignment of the g{sub 9/2} proton pair. This early onset of the band crossing for the aligned {pi}g{sub 9/2} orbitals may be evidence of a triaxial shape transition from prolate to oblate occurring in {sup 111}Ru. The data together with a comparison of cranked shell model predictions are presented.

A transmission electron microscopy study of quasi-isentropic high-pressure loading (peak pressures between 18 GPa and 52 GPa) of polycrystalline and monocrystalline copper was carried out. Deformation mechanisms and defect substructures at different pressures were analyzed. Current evidence suggests a deformation substructure consisting of twinning at the higher pressures and heavily dislocated laths and dislocation cells at the intermediate and lower pressures, respectively. Evidence of stacking faults at the intermediate pressures was also found. Dislocation cell sizes decreased with increasing pressure and increased with distance away from the surface of impact.

To drive shocks into solids with a laser we either illuminate the material directly, or to get higher pressures, illuminate a plastic ablator that overlays the material of interest. In both cases the illumination intensity is low, <<10{sup 13} W/cm{sup 2}, compared to that for traditional laser fusion targets. In this regime, the laser beam creates and interacts with a collisional, rather than a collisionless, plasma. We present scaling relationships for shock pressure with intensity derived from simulations for this low-intensity collisional plasma regime. In addition, sometimes the plastic-ablator targets have a thin flashcoating of Al on the plastic surface as a shine-through barrier; this Al layer can be a source of hot x-ray preheat. We discuss how the preheat affects the shock pressure, with application to simulating VISAR measurements from experiments conducted on various lasers on shock compression of Fe.

We present results for two-particle transverse momentum correlations, ({Delta}p{sub t,i}{Delta}p{sub t,j}), as a function of event centrality for Au+Au collisions at {radical}s{sub NN} = 20, 62, 130, and 200 GeV at the Relativistic Heavy Ion Collider. We observe correlations decreasing with centrality that are similar at all four incident energies. The correlations multiplied by the multiplicity density increase with incident energy and the centrality dependence may show evidence of processes such as thermalization, jet production, or the saturation of transverse flow. The square root of the correlations divided by the event-wise average transverse momentum per event shows little or no beam energy dependence and generally agrees with previous measurements at the Super Proton Synchrotron.

An important step in the quest for low-cost fusion power is the ability to perform and analyze experiments in prototype fusion reactors. One of the tasks in the analysis of experimental data is the classification of orbits in Poincare plots. These plots are generated by the particles in a fusion reactor as they move within the toroidal device. In this paper, we describe the use of graph-based methods to extract features from orbits. These features are then used to classify the orbits into several categories. Our results show that existing machine learning algorithms are successful in classifying orbits with few points, a situation which can arise in data from experiments.

We consider a monodispersed Rayleigh droplet beam of water droplets doped with proteins. An intense infrared laser is used to align these droplets. The arrangement has been proposed for electron and X-ray diffraction studies of proteins which are difficult to crystallize. This paper considers the effect of thermal fluctuations on the angular spread of alignment in thermal equilibrium, and relaxation phenomena, particularly the damping of oscillations excited as the molecules enter the field. The possibility of adiabatic alignment is also considered. We find that damping times in high pressure gas cell as used in X-ray diffraction experiments are short compared to the time taken for molecules to traverse the beam, and that a suitably shaped field might be used for electron diffraction experiments in vacuum to provide adiabatic alignment, thus obviating the need for a damping gas cell.

In coherent X-ray diffraction microscopy the diffraction pattern generated by a sample illuminated with coherent x-rays is recorded, and a computer algorithm recovers the unmeasured phases to synthesize an image. By avoiding the use of a lens the resolution is limited, in principle, only by the largest scattering angles recorded. However, the imaging task is shifted from the experiment to the computer, and the algorithm's ability to recover meaningful images in the presence of noise and limited prior knowledge may produce aberrations in the reconstructed image. We analyze the low order aberrations produced by our phase retrieval algorithms. We present two methods to improve the accuracy and stability of reconstructions.

This report talks about Cathodic Arcs: Fractal Voltage and Cohesive Energy Rule