As part of a study of the effect of particle size on reactivity of hematite to aqueous metal ions, the sorption of Zn(II) on hematite nanoparticles and microparticles was examined over a wide range of Zn(II) concentrations using Zn K-edge EXAFS. When reacted with nanoparticles at pH 5.5 and low Zn(II) sorption densities (0.04 {le} {Lambda} < 2.76 imol/m{sup 2}), Zn(II) formed five-coordinated or a mixture of four- and six-coordinated surface complexes with an average Zn-O distance of 2.04({+-}0.02){angstrom}. At pH 5.5 and high Zn(II) sorption densities (2.76 {ge} {Lambda} {le} 3.70 mol/m{sup 2}), formation of surface precipitates is suggested based on the presence of second-shell Zn and multiple scattering features in the Fourier transform (FT) of the EXAFS spectra. EXAFS fitting of these high {Lambda} samples yielded an average first-shell Zn-O distance of 2.10({+-}0.02){angstrom}, with second-shell Zn-Fe and Zn-Zn distances of 3.23({+-}0.03){angstrom} and 3.31({+-}0.03){angstrom}, respectively. Qualitative comparison between the EXAFS spectra of these sorption samples and that of amorphous zinc hydroxide and Zn-bearing hydrotalcite indicates the development of surface precipitates with increasing {Lambda}. EXAFS spectra of Zn(II) sorbed on hematite microparticles under similar experimental conditions showed no evidence for surface precipitates even at the highest Zn surface coverage ({Lambda} …

Gold is a highly valuable metal that can concentrate in iron-rich exogenetic horizons such as laterites. An improved knowledge of the retention mechanisms of gold onto highly reactive soil components such as iron oxyhydroxides is therefore needed to better understand and predict the geochemical behavior of this element. In this study, we use EXAFS information and titration experiments to provide a realistic thermochemical description of the sorption of trivalent gold onto iron oxy-hydroxides. Analysis of Au L{sub III}-edge XAFS spectra shows that aqueous Au(III) adsorbs from chloride solutions onto goethite surfaces as inner-sphere square-planar complexes (Au(III)(OH,Cl){sub 4}), with dominantly OH ligands at pH > 6 and mixed OH/Cl ligands at lower pH values. In combination with these spectroscopic results, Reverse Monte Carlo simulations were used to constraint the possible sorption sites on the surface of goethite. Based on this structural information, we calculated sorption isotherms of Au(III) on Fe oxy-hydroxides surfaces, using the CD-MUSIC (Charge Distribution--Multi Site Complexation) model. The various Au(III)-sorbed species were identified as a function of pH, and the results of these EXAFS+CD-MUSIC models are compared with titration experiments. The overall good agreement between the predicted and measured structural models shows the potential of this combined approach …

This report presents the analyses results for three samples obtained under RPP-PLAN-28509, Sampling and Analysis Plan for Building 241 702-AZ A Train. The sampling and analysis was done in response to problem evaluation request number PER-2004-6139, 702-AZ Filter Rooms Need Radiological Cleanup Efforts.

XAFS and {mu}-XAFS spectra were collected at the Cu K-edge for seven chrysocolla samples (Peru, USA, and Congo). The results suggest that the local structure around Cu is similar to that in Cu(OH){sub 2} (spertiniite). Cu-L{sub 3} STXM imaging and spectroscopy confirm that the chrysocolla samples examined here consist of mesoscopic Cu(II)-rich domains surrounded by Si-rich domains (in agreement with results from infra-red spectroscopy). Hence, we suggest that chrysocolla, which is generally considered to be orthorhombic with composition (Cu,Al){sub 2}H{sub 2}Si{sub 2}O{sub 5}(OH){sub 4} {center_dot} nH{sub 2}O, is in actually a mesoscopic assemblage composed dominantly of spertiniite (Cu(OH){sub 2}), water and amorphous silica (SiO{sub 2}).

Coupling of Realistic Real Estimates with Genomics for Assessing Contaminant Attenuation and Long-Term Plume Containment

From FY 02-05 IAC has been a part of the DOE Advanced Fuel Cycle Initiative and its predecessor organization Advanced Accelerator Applications. In the IAC program effort has been divided into three parts; Student Research, Accelerator Driven Nuclear Research and Materials Science. Within the three parts specific research and development activities have been undertaken in Student Research, which supported undergraduate and graduate students, post-docs, engineering staff, program administration, project infrastructure, visiting and summer faculty appointments, visiting scientists, and support of students and faculty at the University of Michigan, Texas A&M University, University of Texas and UNLV; Accelerator Driven Nuclear Research included the use of electron accelerators to study driven sub-critical nuclear systems (ADS) and to provide practical methods of monitoring and assaying nuclear materials for accountancy in non proliferation applications (Materials Accountability and Control, MA&C); and Materials Science research at IAC supported all AFC national technical areas.

The supersymmetric SU(N{sub c}) Yang-Mills theory coupled to NF matter fields in the fundamental representation has meta-stable vacua with broken supersymmetry when N{sub C} < N{sub F} < 3/2 N{sub C}. By gauging the flavor symmetry, this model can be coupled directly to the standard model. We show that it is possible to make a slight deformation to the model so that gaugino masses are generated and the Landau pole problem can be avoided. The deformed model has simple realizations on intersecting branes in string theory, where various features of the meta-stable vacua are encoded geometrically as brane configurations.

Analyses of archaeological materials aim to rediscover the know-how of Prehistoric people by determining the nature of the painting matter, its preparation mode, and the geographic origin of its raw materials. This study deals with identification of manganese oxides in black pigments by micro-XANES (X-ray absorption near-edge structure) based on previous TEM (transmission electron microscopy) studies. Complex mixtures of the manganese oxides studied are present in some of mankind's oldest known paintings, namely those from the caves of Lascaux (Dordogne, France) and Ekain (Basque country, Spain). Scarce manganese oxide minerals, including groutite, hausmannite, and manganite, were found for the first time in Paleolithic art at these archaeological sites. Because there are no known deposits of such minerals in these areas, more distant origins and trade routes are inferred. The closest known Mn-rich geological province for Lascaux is the central Pyrenees, which is {approx} 250 km from the Dordogne area.

This project addresses the development of advanced fabrication capabilities for energy saving electrochromic (EC) windows. SAGE EC windows consist of an inorganic stack of thin films deposited onto a glass substrate. The window tint can be reversibly changed by the application of a low power dc voltage. This property can be used to modulate the amount of light and heat entering buildings (or vehicles) through the glazings. By judicious management of this so-called solar heat gain, it is possible to derive significant energy savings due to reductions in heating lighting, and air conditioning (HVAC). Several areas of SAGE’s production were targeted during this project to allow significant improvements to processing throughput, yield and overall quality of the processing, in an effort to reduce the cost and thereby improve the market penetration. First, the overall thin film process was optimized to allow a more robust set of operating points to be used, thereby maximizing the yield due to the thin film deposition themselves. Other significant efforts aimed at improving yield were relating to implementing new procedures and processes for the manufacturing process, to improve the quality of the substrate preparation, and the quality of the IGU fabrication. Furthermore, methods for reworking …

Many in situ XAFS studies have shown that zinc incorporated in layered minerals is a major form of zinc in Zn-contaminated soils. Quantitative information on the local structural environment(s) and ordering of Zn in these minerals is required to better understand its behavior in soils. In this study, EXAFS spectroscopy was used to assess the structural environment of zinc incorporated at trace levels (40 ppm to 4,000 ppm) within the octahedral sheets of various natural and synthetic layered minerals. Results indicate that EXAFS data analyzed using ab initio FEFF calculations (FEFF 8.10) can unambiguously distinguish between zinc incorporation within the octahedral sheet of dioctahedral versus trioctahedral layered minerals and can determine the distribution (random or ordered) of zinc cations within the octahedral sheets of these minerals.

Availability modeling of the proposed International Linear Collider (ILC) predicts unacceptably low uptime with current electronics systems designs. High Availability (HA) analysis is being used as a guideline for all major machine systems including sources, utilities, cryogenics, magnets, power supplies, instrumentation and controls. R&D teams are seeking to achieve total machine high availability with nominal impact on system cost. The focus of this paper is the investigation of commercial standard HA architectures and packaging for Accelerator Controls and Instrumentation. Application of HA design principles to power systems and detector instrumentation are also discussed.

The National Ignition Facility (NIF) is currently the largest and most energetic laser system in the world. The main amplifiers are driven by the Injection Laser System comprised of the master oscillators, optical preamplifiers, temporal pulse shaping and spatial beam formatting elements and injection diagnostics. Starting with two fiber oscillators separated by up to a few angstroms, the pulse is phase modulated to suppress SBS and enhance spatial smoothing, amplified, split into 48 individual fibers, and then temporally shaped by an arbitrary waveform generator. Residual amplitude modulation induced in the preamplifiers from the phase modulation is also precompensated in the fiber portion of the system before it is injected into the 48 pre-amplifier modules (PAMs). Each of the PAMs amplifies the light from the 1 nJ fiber injection up to the multi-joule level in two stages. Between the two stages the pre-pulse is suppressed by 60 dB and the beam is spatially formatted to a square aperture with precompensation for the nonuniform gain profile of the main laser. The input sensor package is used to align the output of each PAM to the main laser and acquire energy, power, and spatial profiles for all shots. The beam transport sections split …

The purpose of this calculation is to determine the sensitivity of the structural response of the Naval waste packages to varying inner cavity dimensions when subjected to a comer drop and tip-over from elevated surface. This calculation will also determine the sensitivity of the structural response of the Naval waste packages to the upper bound of the naval canister masses. The scope of this document is limited to reporting the calculation results in terms of through-wall stress intensities in the outer corrosion barrier. This calculation is intended for use in support of the preliminary design activities for the license application design of the Naval waste package. It examines the effects of small changes between the naval canister and the inner vessel, and in these dimensions, the Naval Long waste package and Naval Short waste package are similar. Therefore, only the Naval Long waste package is used in this calculation and is based on the proposed potential designs presented by the drawings and sketches in References 2.1.10 to 2.1.17 and 2.1.20. All conclusions are valid for both the Naval Long and Naval Short waste packages.

The local structure around Th, U, Ce and Nd in leached silicate glasses was examined using XAFS spectroscopy at their L3 edges and also at the K edge of Fe, Co, Ni, Zr and Mo. Pellets of inactive borosilicate glasses with a simplified or a complex composition were leached statically at 90 C, at pH buffered to 0 or 6 for 28 days (surface/volume, S/V, ratios of 0.1 cm{sup -1}). These glasses are compared to another SON68 sample (denoted ''SP1'' in this paper) that was statically leached for 12 years under similar conditions, except for a higher S/V of 12 cm{sup -1} and a higher unconstrained pH of 9.6. The speciation of Fe, Co, Ni, Zr and Mo in the simple and the complex unleached are similar. In the statically leached glasses, the speciation of these transition metals is mostly identical to in the unleached glasses, except in the gels formed at the surface of the glasses leached at low pH, where large speciation differences are observed. Surface precipitates, especially for Fe (as ferrihydrite), Mo (possibly sidwillite) and Th (as ThO{sub 2}) were detected. Finally, the drying of the gels considerably affects the metal speciation by enhancing metal polymerization.

The ninth-order weighted essentially non-oscillatory (WENO) shock-capturing method is used to investigate the physics of reshock and mixing in two-dimensional single-mode Richtmyer-Meshkov instability to late times. The initial conditions and computational domain were adapted from the Mach 1.21 air(acetone)/SF{sub 6} shock tube experiment of Collins and Jacobs [J. Fluid Mech. 464, 113 (2002)]: the growth of the bubble and spike perturbation amplitudes from fifth- and ninth-order WENO simulations of this experiment were compared to the predictions of amplitude growth models, and were shown to be in very good agreement with the experimental data prior to reshock [Latini, Schilling and Don, Phys. Fluids (2007), in press]. In the present investigation, the density, vorticity, baroclinic vorticity production, and simulated density Schlieren fields are first presented to qualitatively describe reshock. The baroclinic circulation deposition on the interface is shown to agree with the predictions of the Samtaney and Zabusky [J. Fluid Mech. 269, 45 (1994)] model and linear instability theory. The time-evolution of the positive and negative circulation on the interface is considered before and after reshock: it is shown that the circulations are equal before, as well as after reshock, until the interaction of the reflected rarefaction with the layer leads to …

In theories with multiple vacua, reheating to a temperature greater than the height of a barrier can stimulate transitions from a desirable metastable vacuum to a lower energy state. We discuss the constraints this places on various theories and demonstrate that in a class of supersymmetric models this transition does not occur even for arbitrarily high reheating temperature.

Se K-edge XAFS spectra were collected for various model compounds of Se as well as for 3 biofilm samples from bioreactors used for Se-contaminated wastewater treatment. In the biofilm samples, Se is dominantly as Se(0) despite Se K-edge XANES spectroscopy cannot easily distinguish between elemental Se and Se(-I)-bearing selenides. EXAFS spectra indicate that Se is located within aperiodic domains, markedly different to these known in monoclinic red selenium. However, Se can well occur within nanodivided domains related to monoclinic red Se, as this form was optically observed at the rim of some sludges. Aqueous selenate is then efficiently bioreduced, under sulfate reducing and methanogenic conditions.

Spent nuclear fuel contains fissionable materials ({sup 235}U, {sup 239}Pu, {sup 241}Pu, etc.). Neutron multiplication and the potential for criticality are enhanced by the presence of a moderator during cask loading in water, water incursion in accidents conditions during spent fuel storage or transport. To prevent nuclear criticality in spent fuel storage, transportation, and during disposal, neutron-absorbing materials (or neutron poisons, such as borated stainless steel, Boral{trademark}, Metamic{trademark}, Ni-Gd, and others) would have to be applied. The success in demonstrating that the High-Performance Corrosion-Resistant material (HPCRM) can be thermally applied as coating onto base metal to provide for corrosion resistance for many naval applications raises the interest in applying the HPCRM to USDOE/OCRWM spent fuel management program. The fact that the HPCRM relies on the high content of boron to make the material amorphous--an essential property for corrosion resistance--and that the boron has to be homogeneously distributed in the HPCRM qualify the material to be a neutron poison.

Monte Carlo calculations of the giant-dipole-resonance photoneutrons (GRN) around the Varian Clinac 2100C/2300C medical accelerator heads (10-20 MV modes) were made using the coupled EGS4-MORSE code. The actual head materials and geometries were simulated in great detail using the Combinatorial Geometry facility of MORSE. The neutron production (i.e., sites and yields) was calculated with EGS4 and, then, the neutron transport in the accelerator head was done with MORSE. Both the evaporation and direct neutron components of the GRN were considered by incorporating the EVAP4 code and an empirical algorithm, respectively, into MORSE. With the calculated neutron spectra around the head as source terms, MCNP4a was used to estimate the corresponding dose equivalent transmission (considering both the neutron attenuation and the build-up of captured gamma rays) in several different types of concrete. The calculated results of the absolute neutron fluence and spectra around the heads, as well as the transmission curves, are presented and discussed.

This report collects information on cathode contaminants we have gathered in the process of operating the LBNL DARHT cathode test stand. Information on contaminants is compiled from several sources. The attachment, ''Practical Aspects of Modern Dispenser Cathodes'', is from Heat Wave Corp. (TB-134) and was originally published in Microwave Journal, September 1979. Cathode contamination depends on both material choices and residual gases. Table 1 of TB-134 lists materials that can poison dispenser cathodes. These include reactive residual gases or vapors such as oxygen, water vapor, benzene, chlorine, fluorine, sulfur, silicon, and most metals other than molybdenum, rhenium, tungsten, and copper. The metals interact with the cathode surface through their vapor pressure. A paper by Nexsen and Turner, J. Appl. Phys. 68, 298-303 (1990) shows the threshold effects of some common residual gases or vapors on cathode performance. The book by Walter H. Kohl, Handbook of Materials and Techniques for Vacuum Devices, also contains useful information on cathodes and poisoning agents. A plot of the vapor pressures and poisoning effect of certain metals (from Kohl) is shown below. Note that the vapor pressure of zinc is 1.1 x 10{sup -8} Torr at 400 K = 127 C, and 2.7 x 10{sup …

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We describe the physics and codes developed in the Muon Physics Package. This package is a self-contained Fortran90 module that is intended to be used with the Monte Carlo package MCNPX. We calculate simulated energy spectra, multiplicities, and angular distributions of direct neutrons and pions from muon spallation.

We apply the no-core shell model to the nuclear structure of odd-mass nuclei straddling {sup 48}Ca. Starting with the NN interaction, that fits two-body scattering and bound state data, we evaluate the nuclear properties of A = 47 and A = 49 nuclei while preserving all the underlying symmetries. Due to model space limitations and the absence of three-body interactions, we incorporate phenomenological interaction terms determined by fits to A = 48 nuclei in a previous effort. Our modified Hamiltonian produces reasonable spectra for these odd-mass nuclei. In addition to the differences in single-particle basis states, the absence of a single-particle Hamiltonian in our no-core approach complicates comparisons with valence effective NN interactions. We focus on purely off-diagonal two-body matrix elements since they are not affected by ambiguities in the different roles for one-body potentials and we compare selected sets of fp-shell matrix elements of our initial and modified Hamiltonians in the harmonic oscillator basis with those of a recent model fp-shell interaction, the GXPF1 interaction of Honma et al. While some significant differences emerge from these comparisons, there is an overall reasonably good correlation between our off-diagonal matrix elements and those of GXPF1.

The capsules used in ignition experiments on the National Ignition Facility (NIF) laser will have a layer of frozen DT inside a low-Z shell. Liquid DT will be injected through a narrow fill tube that penetrates the shell and frozen in place. The fill tube is a perturbation on the surface of the capsule and hydrodynamic instabilities will cause this perturbation to grow during an implosion. Experiments to investigate the growth of perturbations due to fill tubes have been carried out on the Omega laser. The goal of these experiments was to validate simulations at Omega energy scales and thus increase confidence in the use of simulations in planning for NIF experiments. Simulations show that the fill tube leads to a jet of shell material that penetrates into the DT fuel. Simulations will be used to pick experimental conditions in which the jet is small enough that it does not significantly reduce the yield of a NIF implosion. This paper compares experiments in which bumps and stalks were used as fill tube surrogates to 2D simulations of x-ray emission from Omega capsule implosions. Experiments and simulations are in reasonable agreement on the size of a bump or stalk required to …