Shimming systems are required to provide sufficient fieldhomogeneity for high resolution NMR. In certain specialized applications,such as rotating-field NMR and portable (ex-situ) NMR, permanentmagnet-based shimming systems can provide considerable advantages. Wepresent a simple two-dimensional shimming method based on harmoniccorrector rings which can provide arbitrary multipole order shimmingcorrections. Results demonstrate, for example, that quadrupolar ordershimming improves the linewidth by up to and order of magnitude. Anadditional order of magnitude reduction is in principle achievable byultilizing this shimming method for z-gradient correction and higherorder xy gradients.

Using a density functional theory based approach that treats the 5f electrons relativistically, a Pu electronic structure with zero net magnetic moment is obtained, where the 5f orbital and 5f spin moments cancel each other. By combining the spin and orbital specific densities of states with state, spin and polarization specific transition moments, it is possible to reconstruct the experimentally observed photoemission spectra from Pu. Extrapolating to a spin-resolving Fano configuration, it is shown how this would resolve the extant controversy over Pu electronic structure.

Energetic materials are unique for having a strong exothermic reactivity, which has made them desirable for both military and commercial applications. Energetic materials are commonly divided into high explosives, propellants, and pyrotechnics. We will focus on high explosive (HE) materials here, although there is a great deal of commonality between the classes of energetic materials. Although the history of HE materials is long, their condensed-phase properties are poorly understood. Understanding the condensed-phase properties of HE materials is important for determining stability and performance. Information regarding HE material properties (for example, the physical, chemical, and mechanical behaviors of the constituents in plastic-bonded explosive, or PBX, formulations) is necessary for efficiently building the next generation of explosives as the quest for more powerful energetic materials (in terms of energy per volume) moves forward. In modeling HE materials there is a need to better understand the physical, chemical, and mechanical behaviors from fundamental theoretical principles. Among the quantities of interest in plastic-bonded explosives (PBXs), for example, are thermodynamic stabilities, reaction kinetics, equilibrium transport coefficients, mechanical moduli, and interfacial properties between HE materials and the polymeric binders. These properties are needed (as functions of stress state and temperature) for the development of improved micro-mechanical …

This simulation study shows how widely different model approaches can be adapted to model the evolution of the excavation disturbed zone (EDZ) around a heated nuclear waste emplacement drift in fractured rock. The study includes modeling of coupled thermal-hydrological-mechanical (THM) processes, with simplified consideration of chemical coupling in terms of time-dependent strength degradation or subcritical crack growth. The different model approaches applied in this study include boundary element, finite element, finite difference, particle mechanics, and elastoplastic cellular automata methods. The simulation results indicate that thermally induced differential stresses near the top of the emplacement drift may cause progressive failure and permeability changes during the first 100 years (i.e., after emplacement and drift closure). Moreover, the results indicate that time-dependent mechanical changes may play only a small role during the first 100 years of increasing temperature and thermal stress, whereas such time-dependency is insignificant after peak temperature, because decreasing thermal stress.

We consider the problem of generating a map between two triangulated meshes, M and M{prime}, with arbitrary and possibly differing genus. This problem has rarely been tackled in its generality. Early schemes considered only topological spheres. Recent algorithms allow inputs with an arbitrary number of tunnels but require M and M{prime} to have equal genus, mapping tunnel to tunnel. Other schemes which allow more general inputs are not guaranteed to work and the authors do not provide a characterization of the input meshes that can be processed successfully. Moreover, the techniques have difficulty dealing with coarse meshes with many tunnels. In this paper we present the first robust approach to build a map between two meshes of arbitrary unequal genus. We also provide a simplified method for setting the initial alignment between M and M{prime}, reducing reliance on landmarks and allowing the user to select 'landmark tunnels' in addition to the standard landmark vertices. After computing the map, we automatically derive a continuous deformation from M to M{prime} using a variational implicit approach to describe the evolution of non-landmark tunnels. Overall, we achieve a cross parameterization scheme that is provably robust in the sense that it can map M to …

This Data Gap Analysis report documents the results of a study conducted by Washington Closure Hanford (WCH) to compile and reivew the currently available surface water and sediment data for the Columbia River near and downstream of the Hanford Site. This Data Gap Analysis study was conducted to review the adequacy of the existing surface water and sediment data set from the Columbia River, with specific reference to the use of the data in future site characterization and screening level risk assessments.

This document contains brief discussions, specific sampling location information, and complete analytical data for Hanford Site near-facility environmental monitoring efforts in 2006.

NERSC's Global File system (NGF), accessible from all compute systems at NERSC, holds files and data from many scientific projects. A full backup of this file system to our High Performance Storage System (HPSS) is performed periodically. Disk storage usage by projects at NERSC has grown seven fold over a two year period, from ~;;20TB in June 2006 to ~;;140 TB in June 2008. The latest full backup took about 13 days and more than 200 T10k tape cartridges (.5 TB capacity). Petabyte file systems are becoming a reality in the next few years and the existing utilities are already strained in handling backup tasks.

We construct metastable configurations of branes and anti-branes wrapping 2-spheres inside local Calabi-Yau manifolds and study their large N duals. These duals are Calabi-Yau manifolds in which the wrapped 2-spheres have been replaced by 3-spheres with flux through them, and supersymmetry is spontaneously broken. The geometry of the non-supersymmetric vacuum is exactly calculable to all orders of the't Hooft parameter, and to the leading order in 1/N. The computation utilizes the same matrix model techniques that were used in the supersymmetric context. This provides a novel mechanism for breaking supersymmetry in the context of flux compactifications.

High-level waste (HLW) throughput (i.e., the amount of waste processed per unit time) is a function of two critical parameters: waste loading (WL) and melt rate. For the Waste Treatment and Immobilization Plant (WTP) at the Hanford Site and the Defense Waste Processing Facility (DWPF) at the Savannah River Site (SRS), increasing HLW throughput would significantly reduce the overall mission life cycle costs for the Department of Energy (DOE). The objective of this study was to generate supplemental validation data that could be used to determine the applicability of the current liquidus temperature (TL) model to expanded DWPF glass composition regions of interest based on higher WLs. Two specific flowsheets were used in this study to provide such insight: (1) Higher WL glasses (45 and 50%) based on future sludge batches that have (and have not) undergone the Al-dissolution process. (2) Coupled operations supported by the Salt Waste Processing Facility (SWPF), which increase the TiO{sub 2} concentration in glass to greater than 2 wt%. Glasses were also selected to address technical issues associated with Al{sub 2}O{sub 3} solubility, nepheline formation, and homogeneity issues for coupled operations. A test matrix of 28 glass compositions was developed to provide insight into these …

Passivity breakdown of 316L SS in the presence of aggressive Cl{sup -} and inhibitive NO{sub 3}{sup -} anions has been experimentally studied and the results have been interpreted in terms of the Point Defect Model (PDM). By introducing the competitive adsorption of Cl{sup -} and NO{sub 3}{sup -} into surface oxygen vacancies at the passive film/solution interface, the PDM yields a critical breakdown potential (V{sub c}) that is predicted to vary linearly with log[Cl{sup -}], or with log ([Cl{sup -}]/[NO{sub 3}{sup -}]) [1] when nitrate ions are present, which is shown in Fig. 1. The Point Defect Model also explains the fact that the slope of V{sub c} vs. log[Cl{sup -}] does not change in the presence of NO{sub 3}{sup -}, which is attributed to the quasi-equilibrium ejection of a cation from the barrier layer to form the vacancy pair V{sub M}V{sub O}{sup (2-{chi})} at the barrier layer/solution interface. The Point Defect Model predicts that measured V{sub c} increases linearly with the square root of voltage scan rate {nu}{sup 1/2} [1]. From this correlation, the critical, areal concentration of cation vacancies at the metal/barrier layer interface, {zeta}, has been estimated and found to be comparable to that calculated from the …

Waste retrieval and transfer operations at the Gunite{trademark} and Associated Tanks (GAATs) Remediation Project have been successfully accomplished using the Tank Waste Retrieval System. This system is composed of the Modified Light-Duty Utility Arm, Houdini Vehicle, Waste Dislodging and Conveyance System, Hose Management Arm, and Sludge Conditioning System. GAAT W-9 has been used as a waste-consolidation and batch-transfer tank during the retrieval of sludges and supernatants from the seven Gunite tanks in the North and South tank farms at Oak Ridge National Laboratory. Tank W-9 was used as a staging tank for the transfers to the Melton Valley Storage Tanks (MVSTs). A total of 18 waste transfers from W-9 occurred between May 25, 1999, and March 30, 2000. Most of these transfers were accomplished using the PulsAir Mixer to mobilize and mix the slurry and a submersible retrieval-transfer pump to transfer the slurry through the Sludge Conditioning System and the {approx}1-mile long, 2-in.-diam waste-transfer line to the MVSTs. The transfers from W-9 have consisted of low-solids-content slurries with solids contents ranging from {approx}2.8 to 6.8 mg/L. Of the initial {approx}88,000 gal of wet sludge estimated in the GAATs, a total of {approx}60,451 gal have been transferred to the MVSTs via …

The National Ignition Facility (NIF) at the Lawrence Livermore National Laboratory (LLNL) will routinely fire high energy shots (approaching 10 kJ per beamline) through the final optics, located on the target chamber. After a high fluence shot, exceeding 4J/cm2 at 351 nm wavelength, the final optics will be inspected for laser-induced damage. The FODI (Final Optics Damage Inspection) system has been developed for this purpose, with requirements to detect laser-induced damage initiation and to track and size it's the growth to the point at which the optic is removed and the site mitigated. The FODI system is the 'corner stone' of the NIF optic recycle strategy. We will describe the FODI system and discuss the challenges to make optics inspection a routine part of NIF operations.

The primary objective of Project Activity ORD-FY04-012, “Yucca Mountain Climate Technical Support Representative,” was to provide the Office of Civilian Radioactive Waste Management (OCRWM) with expertise on past, present, and future climate scenarios and to support the technical elements of the Yucca Mountain Project (YMP) climate program. The Climate Technical Support Representative was to explain, defend, and interpret the YMP climate program to the various audiences during Site Recommendation and License Application. This technical support representative was to support DOE management in the preparation and review of documents, and to participate in comment response for the Final Environmental Impact Statement, the Site Recommendation Hearings, the NRC Sufficiency Comments, and other forums as designated by DOE management. Because the activity was terminated 12 months early and experience a 27% reduction in budget, it was not possible to complete all components of the tasks as originally envisioned. Activities not completed include the qualification of climate datasets and the production of a qualified technical report. The following final report is an unqualified summary of the activities that were completed given the reduced time and funding.

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As part of the ongoing international DECOVALEX project, four research teams used five different models to simulate coupled thermal, hydrological, and mechanical (THM) processes near waste emplacement drifts of geological nuclear waste repositories. The simulations were conducted for two generic repository types, one with open and the other with back-filled repository drifts, under higher and lower postclosure temperatures, respectively. In the completed first model inception phase of the project, a good agreement was achieved between the research teams in calculating THM responses for both repository types, although some disagreement in hydrological responses is currently being resolved. In particular, good agreement in the basic thermal-mechanical responses was achieved for both repository types, even though some teams used relatively simplified thermal-elastic heat-conduction models that neglected complex near-field thermal-hydrological processes. The good agreement between the complex and simplified process models indicates that the basic thermal-mechanical responses can be predicted with a relatively high confidence level.

This paper presents an international, multiple-code, simulation study of coupled thermal, hydrological, and mechanical (THM) processes and their effect on permeability and fluid flow in fractured rock around heated underground nuclear waste emplacement drifts. Simulations were conducted considering two types of repository settings: (a) open emplacement drifts in relatively shallow unsaturated volcanic rock, and (b) backfilled emplacement drifts in deeper saturated crystalline rock. The results showed that for the two assumed repository settings, the dominant mechanism of changes in rock permeability was thermal-mechanically-induced closure (reduced aperture) of vertical fractures, caused by thermal stress resulting from repository-wide heating of the rock mass. The magnitude of thermal-mechanically-induced changes in permeability was more substantial in the case of an emplacement drift located in a relatively shallow, low-stress environment where the rock is more compliant, allowing more substantial fracture closure during thermal stressing. However, in both of the assumed repository settings in this study, the thermal-mechanically-induced changes in permeability caused relatively small changes in the flow field, with most changes occurring in the vicinity of the emplacement drifts.

We study the behavior of hydrogen-bonded systems under high-pressure and temperature. First principle calculations of formic acid under isotropic pressure up to 70 GPa reveal the existence of a polymerization phase at around 20 GPa, in support of recent IR, Raman, and XRD experiments. In this phase, covalent bonding develops between molecules of the same chain through symmetrization of hydrogen bonds. We also performed molecular dynamics simulations of water at pressures up to 115 GPa and 2000 K. Along this isotherm, we are able to define three different phases. We observe a molecular fluid phase with superionic diffusion of the hydrogens for pressure 34 GPa to 58 GPa. We report a transformation to a phase dominated by transient networks of symmetric O-H hydrogen bonds at 95-115 GPa. As in formic acid, the network can be attributed to the symmetrization of the hydrogen bond, similar to the ice VII to ice X transition.

This report presents highlights of the research conducted on NERSC computers in a variety of scientific disciplines during the year 2007. It also reports on changes and upgrades to NERSC's systems and services aswell as activities of NERSC staff.

By thermally cycling through their transformation temperature range, coarse-grained, polymorphic materials can be deformed superplastically, owing to the emergence of transformation mismatch plasticity (or transformation superplasticity) as a deformation mechanism. This mechanism is investigated under biaxial stress conditions during thermal cycling of unalloyed titanium, Ti-6Al-4V, and their composites (Ti/10 vol.% TiC{sub p}, Ti-6Al-4V/10 vol% TiC{sub p} and Ti-6Al-4V/5 vol.% TiB{sub w}). During gas-pressure dome bulging experiments, the dome height was measured as a function of forming time. Adapting existing models of biaxial doming to the case of transformation superplasticity where the strain-rate sensitivity is unity, we verify the operation of this deformation mechanism in all experimental materials, and compare the biaxial results to uniaxial thermal cycling results on the same materials. Finally, existing thickness distribution models are compared with experimentally measured profiles.

An updated deterministic version of the Techa River Dosimetry System (TRDS-2009D) has been developed to estimate individual doses from external exposure and intake of radionuclides for residents living on the Techa River contaminated as a result of radioactive releases from the Mayak plutonium facility in 1949–1956. The TRDS-2009D is designed as a flexible system that uses, depending on the input data for an individual, various elements of system databases to provide the dosimetric variables requested by the user. Several phases are included in the computation schedule. The first phase includes calculations with use of a common protocol for all cohort members based on village-average-intake functions and external dose rates; individual data on age, gender and history of residence are included in the first phase. This phase results in dose estimates similar to those obtained with system TRDS-2000 used previously to derive risks of health effects in the Techa River Cohort. The second phase includes refinement of individual internal doses for those persons who have had body-burden measurements or exposure parameters specific to the household where he/she lived on the Techa River. The third phase includes summation of individual doses from environmental exposure and from radiological examinations. The results of TRDS-2009D …

Radiation portal monitors used for interdiction of illicit materials at borders include highly sensitive neutron detection systems. The main reason for having neutron detection capability is to detect fission neutrons from plutonium. The currently deployed radiation portal monitors (RPMs) from Ludlum and Science Applications International Corporation (SAIC) use neutron detectors based upon 3He-filled gas proportional counters, which are the most common large neutron detector. There is a declining supply of 3He in the world, and thus, methods to reduce the use of this gas in RPMs with minimal changes to the current system designs and sensitivity to cargo-borne neutrons are being investigated. Reported here are the results of tests of the 6Li/ZnS(Ag)-coated non-scintillating plastic fibers option. This testing measured the required performance for neutron detection efficiency and gamma ray rejection capabilities of a system manufactured by Innovative American Technology (IAT).

This best practices guide is the ninth in a series of guides for builders produced by the U.S. Department of Energy’s Building America Program. This guide book is a resource to help builders design and construct homes that are among the most energy-efficient available, while addressing issues such as building durability, indoor air quality, and occupant health, safety, and comfort. With the measures described in this guide, builders in the hot-dry and mixed-dry climates can achieve homes that have whole house energy savings of 40% over the Building America benchmark (a home built to mid-1990s building practices roughly equivalent to the 1993 Model Energy Code) with no added overall costs for consumers. These best practices are based on the results of research and demonstration projects conducted by Building America’s research teams. The guide includes information for managers, designers, marketers, site supervisors, and subcontractors, as well as case studies of builders who are successfully building homes that cut energy use by 40% in the hot-dry and mixed-dry climates.

This report describes the FY 2000 results of a Science and Technology investigation of the groundwater/river interface at the Hanford Site. The investigation focused on (1) a 2-D simulation of water flowpaths beneath the shoreline region under the influence of a transient river stage, and (2) mixing between groundwater and river water.