In situ radionuclide migration experiments, followed by excavation and sample characterization, were conducted in a water-conducting shear zone at the Grimsel Test Site (GTS) in Switzerland to study diffusion paths of radionuclides in fractured granite. In this work, we employed a micro-scale mapping technique that interfaces laser ablation sampling with inductively coupled plasma-mass spectrometry (LA/ICP-MS) to measure the fine-scale (micron-range) distribution of actinides ({sup 234}U, {sup 235}U, and {sup 237}Np) in the fracture-granite interface zones. Long-lived {sup 234}U, {sup 235}U, and {sup 237}Np were detected in flow channels, as well as in the adjacent rock matrix, using the sensitive, feature-based mapping of the LA/ICP-MS technique. The injected sorbing actinides are mainly located within the advective flowing fractures and the immediately adjacent regions. The water-conducting fracture studied in this work is bounded on one side by mylonite and the other by granitic matrix regions. These actinides did not penetrate into the mylonite side as much as the relatively higher-porosity granite matrix, most likely due to the low porosity, hydraulic conductivity, and diffusivity of the fracture wall (a thickness of about 0.4 mm separates the mylonite region from the fracture) and the mylonite region itself. Overall, the maximum penetration depth detected with …

{sup 137}Cs released during 1954-1974 from nuclear production reactors on the Savannah River Site, a US Department of Energy nuclear materials production site in South Carolina, contaminated a portion of the Savannah River floodplain known as Creek Plantation. {sup 137}Cs activity concentrations have been measured in Creek Plantation since 1974 making it possible to calculate effective half-lives for {sup 137}Cs in soil and vegetation and assess the spatial distribution of contaminants on the floodplain. Activity concentrations in soil and vegetation were higher near the center of the floodplain than near the edges as a result of frequent inundation coupled with the presence of low areas that trapped contaminated sediments. {sup 137}Cs activity was highest near the soil surface, but depth related differences diminished with time as a likely result of downward diffusion or leaching. Activity concentrations in vegetation were significantly related to concentrations in soil. The plant to soil concentration ratio (dry weight) averaged 0.49 and exhibited a slight but significant tendency to decrease with time. The effective half-lives for {sup 137}Cs in shallow (0-7.6 cm) soil and in vegetation were 14.9 (95% CI = 12.5-17.3) years and 11.6 (95% CI = 9.1-14.1) years, respectively, and rates of {sup 137}Cs …

Unexploded ordnance (UXO)-contaminated sites often include ordnance filled with inert substances that were used in dummy rounds. During UXO surveys, it is difficult to determine whether ordnance is filled with explosives or inert material (e.g., concrete, plaster-of-paris, wax, etc.) or is empty. Without verification of the filler material, handling procedures often necessitate that the object be blown in place, which has potential impacts to the environment, personnel, communities and survey costs. The Department of Defense (DoD) needs a reliable, timely, non-intrusive and cost-effective way to identify filler material before a removal action. A new technology that serves this purpose would minimize environmental impacts, personnel safety risks and removal costs; and, thus, would be especially beneficial to remediation activities.

Addendum to original report updating the structural analysis of the I-beam accident to reflect a smaller I-beam than originally assumed (addendum is 2 pages). The K East Basin currently contains six ion exchange columns (IXCs) that were removed from service over 10 years ago. Fluor Hanford plans to immobilize the six ion exchange columns (IXCs) in place in a concrete monolith. PNNL performed a structural assessment of the concrete monolith to determine its capability to absorb the forces imposed by postulated accidents and protect the IXCs from damage and thus prevent a release of radioactive material. From this assessment, design specifications for the concrete monolith were identified that would prevent a release of radioactive material for any of the postulated hazardous conditions.

The relationship between charge transport and mechanical properties of alkanethiol self-assembled monolayers (SAM) on Au(111) films has been investigated using an atomic force microscope with a conductive tip. Molecular tilts induced by the pressure applied by the tip cause stepwise increases in film conductivity. A decay constant {beta} = 0.57 {+-} 0.03 {angstrom}{sup -1} was found for the current passing through the film as a function of tip-substrate separation due to this molecular tilt. This is significantly smaller than the value of {approx} 1 {angstrom}{sup -1} found when the separation is changed by changing the length of the alkanethiol molecules. Calculations indicate that for isolated dithiol molecules S-bonded to hollow sites, the junction conductance does not vary significantly as a function of molecular tilt. The impact of S-Au bonding on SAM conductance is discussed.

This remedial action work plan identifies the approach and requirements for implementing the medial zone remedial action for Test Area North, Operable Unit 1-07B, at the Idaho National Laboratory. This plan details the management approach for the construction and operation of the New Pump and Treat Facility (NPTF). As identified in the remediatial design/remedial action scope of work, a separate remedial design/remedial action work plan will be prepared for each remedial component of the Operable Unit 1-07B remedial action.

An investigation is being made into the feasibility of making a compact proton dielectric wall (DWA) accelerator for medical radiation treatment based on the high gradient insulation (HGI) technology. A small plasma device is used for the proton source. Using only electric focusing fields for transporting and focusing the beam on the patient, the compact DWA proton accelerator m system can deliver wide and independent variable ranges of beam currents, energies and spot sizes.

Gas centrifuges exhibit very complex flows. Within the centrifuge there is a rarefied region, a transition region, and a region with an extreme density gradient. The flow moves at hypersonic speeds and shock waves are present. However, the flow is subsonic in the axisymmetric plane. The analysis may be simplified by treating the flow as a perturbation of wheel flow. Wheel flow implies that the fluid is moving as a solid body. With the very large pressure gradient, the majority of the fluid is located very close to the rotor wall and moves at an azimuthal velocity proportional to its distance from the rotor wall; there is no slipping in the azimuthal plane. The fluid can be modeled as incompressible and subsonic in the axisymmetric plane. By treating the centrifuge as long, end effects can be appropriately modeled without performing a detailed boundary layer analysis. Onsager's pancake approximation is used to construct a simulation to model fluid flow in a gas centrifuge. The governing 6th order partial differential equation is broken down into an equivalent coupled system of three equations and then solved numerically. In addition to a discussion on the baseline solution, known problems and future work possibilities are …

Simulation of ductile fracture at the atomic scale reveals many aspects of the fracture process including specific mechanisms associated with void nucleation and growth as a precursor to fracture and the plastic deformation of the material surrounding the voids and cracks. Recently we have studied void coalescence in ductile metals using large-scale atomistic and continuum simulations. Here we review that work and present some related investigations. The atomistic simulations involve three-dimensional strain-controlled multi-million atom molecular dynamics simulations of copper. The correlated growth of two voids during the coalescence process leading to fracture is investigated, both in terms of its onset and the ensuing dynamical interactions. Void interactions are quantified through the rate of reduction of the distance between the voids, through the correlated directional growth of the voids, and through correlated shape evolution of the voids. The critical inter-void ligament distance marking the onset of coalescence is shown to be approximately one void radius based on the quantification measurements used, independent of the initial separation distance between the voids and the strain-rate of the expansion of the system. No pronounced shear flow is found in the coalescence process. We also discuss a technique for optimizing the calculation of fine-scale information …

The path towards realizing peta-scale computing isincreasingly dependent on building supercomputers with unprecedentednumbers of processors. To prevent the interconnect from dominating theoverall cost of these ultra-scale systems, there is a critical need forhigh-performance network solutions whose costs scale linearly with systemsize. This work makes several unique contributions towards attaining thatgoal. First, we conduct one of the broadest studies to date of high-endapplication communication requirements, whose computational methodsinclude: finite-difference, lattice-bolzmann, particle in cell, sparselinear algebra, particle mesh ewald, and FFT-based solvers. Toefficiently collect this data, we use the IPM (Integrated PerformanceMonitoring) profiling layer to gather detailed messaging statistics withminimal impact to code performance. Using the derived communicationcharacterizations, we next present fit-trees interconnects, a novelapproach for designing network infrastructure at a fraction of thecomponent cost of traditional fat-tree solutions. Finally, we propose theHybrid Flexibly Assignable Switch Topology (HFAST) infrastructure, whichuses both passive (circuit) and active (packet) commodity switchcomponents to dynamically reconfigure interconnects to suit thetopological requirements of scientific applications. Overall ourexploration leads to a promising directions for practically addressingthe interconnect requirements of future peta-scale systems.

This technical bulletin documents measured peak equipment load data from 39 laboratory spaces in nine buildings across five institutions. The purpose of these measurements was to obtain data on the actual peak loads in laboratories, which can be used to rightsize the design of HVAC systems in new laboratories. While any given laboratory may have unique loads and other design considerations, these results may be used as a 'sanity check' for design assumptions.

One of the goals of the Saltstone variability study is to identify the operational and compositional variables that control or influence the important processing and performance properties of Saltstone mixes. The protocols developed in this variability study are ideally suited as a tool to assess the impact of proposed changes to the processing flow sheet for Liquid Waste Operations (LWO). One such proposal that is currently under consideration is to introduce a leaching step in the treatment of the High Level Waste (HLW) sludge to remove aluminum prior to vitrification at the Defense Waste Processing Facility (DWPF). This leachate would significantly increase the soluble aluminate concentrations as well as the free hydroxide ion concentration in the salt feed that will be processed at the Saltstone Processing Facility (SPF). Consequently, an initial study of the impact of increased aluminate concentration on the Saltstone grout properties was performed. The projected compositions and ranges of the aluminate rich salt stream (which includes the blending strategy) are not yet available and consequently, in this initial report, two separate salt stream compositions were investigated. The first stream starts with the previously projected baseline composition of the salt solution that will be fed to SPF from …

Sayers and Kachanov (1991) defined crack-influence parameters that are shown to be directly related to Thomsen (1986) weak-anisotropy seismic parameters for fractured reservoirs when the crack/fracture density is small enough. These results are then applied to the problem of seismic wave propagation in polar (i.e., non-isotropic) reservoirs having HTI seismic wave symmetry due to the presence of aligned vertical fractures and resulting in azimuthal seismic wave symmetry at the earth's surface. The approach presented suggests one method of inverting for fracture density from wave-speed data. It is also observed that the angular location {theta}{sub ex} of the extreme value (peak or trough) of the quasi-SV-wave speed for VTI occurs at an angle determined approximately by the formula tan{sup 2} {theta}{sub ex} {approx_equal} tan {theta}{sub m} = [(c{sub 33} - c{sub 44})/(c{sub 11}-c{sub 44})]{sup 1/2}, where {theta}{sub m} is an angle determined directly (as shown) from the c{sub ij} elastic stiffnesses, whenever these are known from either quasi-static or seismic wave measurements. Alternatively, {theta}{sub ex} is given in terms of the Thomsen seismic anisotropy parameters by tan {theta}{sub ex} {approx_equal} ([v{sub p}{sup 2}(0)-v{sub s}{sup 2}(0)]/[(1 + 2{epsilon})v{sub p}{sup 2}(0)-v{sub s}{sup 2}(0)]){sup 1/4}, where {epsilon} = (c{sub 11}-c{sub 33})/2c{sub 33}, v{sub p}{sup …

The inclusive B -> Xs l+ l- decay rate in the large q2 region (q2> m_psi'2) receives significant nonperturbative corrections. The resulting uncertainties can be drastically reduced by normalizing the rate to the B -> Xu l nu rate with the same q2 cut, which allows for much improved tests of short distance physics. We calculate this ratio, including the order 1/m_b3 nonperturbative corrections and the analytically known NNLO perturbative corrections. Since in the large q2 region an inclusive measurement may be feasible via a sum over exclusive states, our results could be useful for measurements at LHCb and possibly for studies of B -> Xd l+ l-.

A significant amount of progress has been achieved in the development of the novel vacuum distillation method described in the proposal. The process for the purification of Te was fully developed and characterized in a series of trials. The purification effect was confirmed with GDMS sample analysis and indicates the process yields very high purity Te metal. Results of this initial process study have been submitted for publication in the Proceedings of the SPIE and will be presented on August 28, 2007 at the SPIE Optics and Photonics 2007 conference in San Diego, CA. Concurrent to the development of the Te process, processes for the purification of Cd, Zn, and Mn have also progressed. The development of the processes for Cd and Zn are nearly complete, while the development of the process for Mn is still in its infancy. It is expected that a full characterization of the Cd process will be completed within the next quarter, followed by Zn. Parallel to those characterization studies, efforts will be made to further develop the Mn purification process. Zone melting work for Te and Cd has also been efforted as per the project work schedule. Initial trials have been completed and the …

A search for lepton flavor violating decays of a {tau} to a lighter-mass charged lepton and an {omega} vector meson is performed using 384.1 fb{sup -1} of e{sup +}e{sup -} annihilation data collected with the BABAR detector at the Stanford Linear Accelerator Center PEP-II storage ring. No signal is found, and the upper limits on the branching ratios are determined to be {beta}({tau}{sup {+-}} {yields} e{sup {+-}}{omega}) < 1.1 x 10{sup -7} and {beta}({tau}{sup {+-}} {yields} {mu}{sup {+-}}{omega}) < 1.0 x 10{sup -7} at 90% confidence level.

We report a theoretical study on the role of shallow d states in the screened-exchange local density approximation (sX-LDA) band structure of binary semiconductor systems.We found that inaccurate pseudo-wavefunctions can lead to 1) an overestimation of the screened-exchange interaction betweenthe localized d states and the delocalized higher energy s and p states and 2) an underestimation of the screened-exchange interaction between the d states. The resulting sX-LDA band structures have substantially smaller band gaps compared with experiments. We correct the pseudo-wavefunctions of d states by including the semicore s and p states of the same shell in the valence states. The correction of pseudo-wavefunctions yields band gaps and d state binding energies in good agreement with experiments and the full potential linearized augmented plane wave sX-LDA calculations. Compared with the quasi-particle GW method, our sX-LDA results shows not only similar quality on the band gaps but also much better d state binding energies. Combined with its capability of ground state structure calculation, the sX-LDA is expected to be a valuable theoretical tool for the II-VI and III-V (especially the III-N) bulk semiconductors and nanostructure studies.

The data model for event reconstruction (EDM) in the Inner Detector of the ATLAS experiment is presented. Different data classes represent evolving stages in the reconstruction data flow, and specific derived classes exist for the sub-detectors. The Inner Detector EDM also extends the data model for common tracking in ATLAS and is integrated into the modular design of the ATLAS high-level trigger and off-line software.

Simulation studies for transmission of microwaves through electron cloudes show good agreement with analytic results. The elctron cloud produces a shift in phase of the microwave. Experimental observation of this phenomena would lead to a useful diagnostic tool for acessing the local density of electron clouds in an accelerator. These experiments are being carried out at the CERN SPS and the PEP-II LER at SLAC and is proposed to be done at the Fermilab maininjector. In this study, a brief analysis of the phase shift is provided and the results are compared with that obtained from simulations.

WINGRIDDER V3.0 is a Windows-based software for designing and generating numerical grids for numerical simulators that are based on the"integral finite difference" or the"control volume" numerical scheme (e.g., TOUGH2, Pruess et al., 1996). The user can design and generate grid that properly represents the stratigraphic features, inclined faults, and repository. WINGRIDDER V3.0 is an upgrade from WINGRIDDER V2.0. This revision includes testable requirements as listed in the Requirements Document (RD), 10024-RD-3.0-00, Section 2. With new features, WINGRIDDER V3.0 adds the ability to generate a multiple-interactive-continuum (MINC) grid.

A sampling method for spin systems is presented. The spin lattice is written as the union of a nested sequence of sublattices, all but the last with conditionally independent spins, which are sampled in succession using their marginals. The marginals are computed concurrently by a fast algorithm; errors in the evaluation of the marginals are offset by weights. There are no Markov chains and each sample is independent of the previous ones; the cost of a sample is proportional to the number of spins (but the number of samples needed for good statistics may grow with array size). The examples include the Edwards-Anderson spin glass in three dimensions.

This report discusses a general approach to validating microbial forensic methods that attempt to simultaneously distinguish among many hypotheses concerning the manufacture of a questioned biological agent sample. It focuses on the concrete example of determining growth medium from chemical or molecular properties of a bacterial agent to illustrate the concepts involved.

One of the key components of a time-of-flight (TOF) spectrometer is the detection system. In addition to high timing resolution, accurate two-dimensional imaging substantially broadensthe areas of applications of TOF spectrometers; for example, add a new dimension to angle-resolved photoemission spectroscopy (ARPES). In this paper we report on the recent developments of a high spatial (<50 mm) and timing (<130 ps) resolution imaging system capable of selective detection of electrons, ions and/or photons. Relative to our previously reported results, we have substantially improved the counting rate capabilities of the system especially for cases where the energy range of interest represents a small fraction of the incoming flux at the detector plane. The new system ignores all the events outside of a tunable time window substantially decreasing the dead time required for the event processing. That allows high-resolution TOF measurements within a given energy or momentum range and also can be used for distinguishing (or disabling) detection of photons versus detection of charged particles. The counting rate within a given energy window can be as high as ~;;400KHz at 10percent dead time. The electron detection system reported in the paper was developed for the TOF ARPES experiments at the Advanced Light …

The cosmic microwave background power spectra are studied for different families of single field new and chaotic inflation models in the effective field theory approach to inflation. We implement a systematic expansion in 1/N(e), where N(e)~;;50 is the number of e-folds before the end of inflation. We study the dependence of the observables (n(s), r and dn(s)/dlnk) on the degree of the potential (2n) and confront them to the WMAP3 and large scale structure data: This shows in general that fourth degree potentials (n=2) provide the best fit to the data; the window of consistency with the WMAP3 and LSS data narrows for growing n. New inflation yields a good fit to the r and n(s) data in a wide range of field and parameter space. Small field inflation yields r<0.16 while large field inflation yields r>0.16 (for N(e)=50). All members of the new inflation family predict a small but negative running -4(n+1) x 10-4<=dn(s)/dlnk<=-2 x 10-4. (The values of r, n(s), dn(s)/dlnk for arbitrary N(e) follow by a simple rescaling from the N(e)=50 values.) A reconstruction program is carried out suggesting quite generally that for n(s) consistent with the WMAP3 and LSS data and r<0.1 the symmetry breaking scale …