The speciation of Tc(VII) in 12 M sulfuric acid was studied by NMR, UV-visible and XAFS spectroscopy, experimental results were supported by DFT calculation and were in agreement with the formation of TcO{sub 3}OH(H{sub 2}O){sub 2}. In summary, the speciation of heptvalent technetium has been investigated in sulfuric acid. In 12 M H{sub 2}SO{sub 4}, a yellow solution is observed, and its {sup 99}Tc NMR spectrum is consistent with a heptavalent complex. The yellow solution was further characterized by EXAFS spectroscopy, and results are consistent with the formation of TcO{sub 3}(OH)(H{sub 2}O){sub 2}. No technetium heptoxide or sulfato- complexes were detected in these conditions. The molecular structure of TcO{sub 3}(OH)(H{sub 2}O){sub 2} has been optimized by DFT techniques, and the structural parameters are well in accordance with those found by XAFS spectroscopy. The experimental electronic spectra exhibit ligand-to-metal charge transfer transitions that have been assigned using TDDFT methods. Calculations demonstrate the theoretical electronic spectrum of TcO{sub 3}(OH)(H{sub 2}O){sub 2} to be in very good agreement with the experimental one. Recent experiments in 12 M H{sub 2}SO{sub 4} show the yellow solution to be very reactive in presence of reducing agents presumably forming low valent Tc species. Current spectroscopic works focus …

Five actual Savannah River Site tank waste samples and three chemically-modified samples were tested to determine solubility limits for uranium and plutonium over a one year time period. Observed final uranium concentrations ranged from 7 mg U/L to 4.5 g U/L. Final plutonium concentrations ranged from 4 {micro}g Pu/L to 12 mg Pu/L. Actinide carbonate complexation is believed to result in the dramatic solubility increases observed for one sample over long time periods. Clarkeite, NaUO{sub 2}(O)OH {center_dot} H{sub 2}O, was found to be the dominant uranium solid phase in equilibrium with the waste supernate in most cases.

Mixtures of oxalic acid with nitric acid have been shown to be superior to oxalic acid alone for the dissolution of iron-rich High Level Waste sludge heels. Optimized conditions resulting in minimal oxalate usage and stoichiometric iron dissolution (based on added oxalate ion) have been determined for hematite (a primary sludge iron phase) in oxalic/nitric acid mixtures. The acid mixtures performed better than expected based on the solubility of hematite in the individual acids through a synergistic effect in which the preferred 1:1 Fe:oxalate complex is formed. This allows for the minimization of oxalate additions to the waste stream. Carbon steel corrosion rates were measured in oxalic/nitric acid mixtures to evaluate the impacts of chemical cleaning with these solutions on waste tank integrity. Manageable corrosion rates were observed in the concentration ranges of interest for an acid contact timescale of 1 month. Kinetics tests involving hematite and gibbsite (a primary sludge aluminum phase) have confirmed that {ge}90% solids dissolution occurs within 3 weeks. Based on these results, the chemical cleaning conditions recommended to promote minimal oxalate usage and manageable corrosion include: 0.5 wt. % oxalic acid/0.175 M nitric acid mixture, 50 C, 2-3 week contact time with agitation.

We report the first at-wavelength line edge roughness measurements of patterned EUV lithography masks realized using a table-top aerial imaging system based on a table-top {lambda}=13.2 laser.

Under sub-freezing conditions, ice forms in the gas-diffusion layer (GDL) of a proton exchange membrane fuel cell (PEMFC) drastically reducing cell performance. Although a number of strategies exist to prevent ice formation, there is little fundamental understanding of the mechanisms of freezing within PEMFC components. Differential scanning calorimetry (DSC) is used to elucidate the effects of hydrophobicity (Teflon® loading) and water saturation on the rate of ice formation within three commercial GDLs. We find that as the Teflon® loading increases, the crystallization temperature decreases due to a change in internal ice/substrate contact angle, as well as the attainable level of water saturation. Classical nucleation theory predicts the correct trend in freezing temperature with Teflon® loading.

High current B-Factory BPM designs incorporate a button type electrode which introduces a small gap between the button and the beam chamber. For achievable currents and bunch lengths, simulations indicate that electric potentials can be induced in this gap which are comparable to the breakdown voltage. This study characterizes beam induced voltages in the existing PEP-II storage ring collider BPM as a function of bunch length and beam current.

There is great interest in applying magnetohydrodynamic (MHD) simulation techniques to the designs of electrical high explosive (HE) initiators, for the purpose of better understanding a design's sensitivities, optimizing its performance, and/or predicting its useful lifetime. Two MHD-capable LLNL codes, CALE and ALE3D, are being used to simulate the process of ohmic heating, vaporization, and plasma formation in exploding bridgewires (EBW). Initiation of the HE is simulated using Ignition & Growth reactive flow models. 1-D, 2-D and 3-D models have been constructed and studied. The models provide some intuitive explanation of the initiation process and are useful for evaluating the potential impact of identified aging mechanisms (such as the growth of intermetallic compounds or powder sintering). The end product of this work is a simulation capability for evaluating margin in proposed, modified or aged initiation system designs.

Synchrotron radiation is the main source of vacuum chamber heating in the PEP-II storage ring collider. This heating is reduced substantially as lattice energy is lowered. Energy scans over {Upsilon} energy states were performed by varying the high energy ring (HER) lattice energy at constant gap voltage and frequency. We observed unexpected temperature rise at particular locations when HER lattice energy was lowered from 8.6 GeV ({Upsilon}(3S)) to 8.0 GeV ({Upsilon}(2S)) while most other temperatures decreased. Bunch length measurements reveal a shorter bunch at the lower energy. The shortened bunch overheated a beam position monitoring electrode causing a vacuum breach. We explain the unexpected heating as a consequence of increased higher order mode (HOM) power generated by a shortened bunch. In this case, temperature rise helps to identify HOM sources and HOM sensitive vacuum chamber elements. Reduction of gap voltage helps to reduce this unexpected heating.

Spin-orbit coupled systems generally break the spin rotation symmetry. However, for a model with equal Rashba and Dresselhauss coupling constant (the ReD model), and for the [110] Dresselhauss model, a new type of SU(2) spin rotation symmetry is discovered. This symmetry is robust against spin-independent disorder and interactions, and is generated by operators whose wavevector depends on the coupling strength. It renders the spin lifetime infinite at this wavevector, giving rise to a Persistent Spin Helix (PSH). We obtain the spin fluctuation dynamics at, and away, from the symmetry point, and suggest experiments to observe the PSH.

We carried out reactive flow simulations of liquid explosives such as nitromethane using the hydrodynamic code ALE3D coupled with equations of state and reaction kinetics modeled by the thermochemical code Cheetah. The simulation set-up was chosen to mimic cylinder experiments. For pure unconfined nitromethane we find that the failure diameter and detonation velocity dependence on charge diameter are in agreement with available experimental results. Such simulations are likely to be useful for determining detonability and failure behavior for a wide range of experimental conditions and explosive compounds.

In a multi-bunch high current storage ring, beam generated fields couple strongly into the RF cavity coupler structure when beam arrival times are in resonance with cavity fields. In this study the integrated effect of beam fields over several thousand RF periods is simulated for the complete cavity, coupler, window and waveguide system of the PEP-II B-factory storage ring collider. We show that the beam generated fields at frequencies corresponding to several bunch spacings for this case gives rise to high field strength near the ceramic window which could limit the performance of future high current storage rings such as PEP-X or Super B-factories.

We recently conducted damaged experiments on three explosives (mechanical damage on LX-04 and thermal experiments on HPP and PBXN-9) and characterized the effect of damage on some material properties. The MTS equipment was used to apply compressive cycling to LX-04 pressed parts and the results showed that older LX-04 parts became mechanically weaker than newer parts. After repeated compressive cycling for over 20,000 times, older LX-04 parts failed but newer LX-04 parts survived. Thermal insults were applied to PBXN-9 and HPP at 180 C and 200 C, respectively in unconfined conditions for several hours. The thermally-damaged HPP sample suffered 12.0% weight losses and a volume expansion of 20% was observed. Porosity of the damaged HPP increased to 25% after thermal exposure, which led to higher gas permeability. Burn rates of damaged PBXN-9 were 2 orders of magnitude higher than those of pristine samples but burn rates of damaged HPP were only slightly higher than those of pristine HPP. Small-scale safety tests (impact, friction, and spark) showed no significant sensitization when the damaged samples were tested at room temperature. Gas permeation measurements showed that gas permeability in damaged materials was several orders of magnitude higher than that in pristine materials. In-situ …

Customized spatial light modulators have been designed and fabricated for use as precision beam shaping devices in fusion class laser systems. By inserting this device in a low-fluence relay plane upstream of the amplifier chain, 'blocker' obscurations can be programmed into the beam profile to shadow small isolated flaws on downstream optical components that might otherwise limit the system operating energy. In this two stage system, 1920 x 1080 bitmap images are first imprinted on incoherent, 470 nm address beams via pixilated liquid crystal on silicon (LCoS) modulators. To realize defined masking functions with smooth apodized shapes and no pixelization artifacts, address beam images are projected onto custom fabricated optically-addressable light valves. Each valve consists of a large, single pixel liquid cell in series with a photoconductive Bismuth silicon Oxide (BSO) crystal. The BSO crystal enables bright and dark regions of the address image to locally control the voltage supplied to the liquid crystal layer which in turn modulates the amplitude of the coherent beams at 1053 nm. Valves as large as 24 mm x 36 mm have been fabricated with low wavefront distortion (<0.5 waves) and antireflection coatings for high transmission (>90%) and etalon suppression to avoid spectral and …

Unlike the ferropnictide superconductors, which crystallize in a tetragonal crystal structure, binary FeAs forms in an orthorhombic crystal structure, where the local atomic environment resembles a highly distorted variant of the FeAs{sub 4} tetrahedral building block of the ferropnictide superconductors. However, like the parent compounds of the ferropnictide superconductors, FeAs undergoes magnetic ordering at low temperatures, with no evidence favoring a superconducting ground state at ambient pressure. We employ pressure-dependent electrical transport and x-ray diffraction measurements using diamond anvil cells to characterize the magnetic state and the structure as a function of pressure. While the structure persists up to 25 GPa, compressing continuously with pressure, magnetotransport measurements suggests that the magnetic state is destroyed near 11 GPa. The magnetic transition temperature is found to be remarkably robust under pressure, and transport measurements suggest that a dynamical structural instability coupled to the Fermi surface via a strong electron-phonon interaction may play an important role in enabling magnetism in FeAs.

The Western Renewable Energy Zone (WREZ) initiative brings together a diverse set of voices to develop data, tools, and a unique forum for coordinating transmission expansion in the Western Interconnection. In this paper we use a new tool developed in the WREZ initiative to evaluate possible renewable resource selection and transmission expansion decisions. We evaluate these decisions under a number of alternative future scenarios centered on meeting 33percent of the annual load in the Western Interconnection with new renewable resources located within WREZ-identified resource hubs. Our analysis finds that wind energy is the largest source of renewable energy procured to meet the 33percent RE target across nearly all scenarios analyzed (38-65percent). Solar energy is almost always the second largest source (14-41percent). We find several load zones where wind energy is the least cost resource under a wide range of sensitivity scenarios. Load zones in the Southwest, on the other hand, are found to switch between wind and solar, and therefore to vary transmission expansion decisions, depending on uncertainties and policies that affect the relative economics of each renewable option. Further, we find that even with total transmission expenditures of $17-34 billion these costs still represent just 10-19percent of the total …

Our previously developed finite-element/ discrete variable representation in prolate spheroidal coordinates is extended to two-electron systems with a study of double ionization of H$_2$ with fixed-nuclei. Particular attention is paid to the development of fast and accurate methods for treating the electron-electron interaction. The use of exterior complex scaling in the implementation offers a simple way of enforcing Coulomb boundary conditions for the electronic double continuum. While the angular distributions calculated in this study are found to be completely consistent with our earlier treatments that employed single-center expansions in spherical coordinates, we find that the magnitude of the integrated cross sections are sensitive to small changes in the initial-state wave function. The present formulation offers significant advantages with respect to convergence and efficiency and opens the way to calculations on more complicated diatomic targets.

The 2010 Conference on the Cell and Molecular Biology of Chlamydomonas was held June 6-10 near Boston, MA, and attracted a record 273 participants, 146 from US labs, 10 from Canada, and the remainder from 18 other countries. The single-celled algal protist Chlamydomonas is a key research organism for many investigators, including those who study photosynthesis, cell motility, adaptation to environmental stresses, the evolution of multicellularity, and the production of biofuels. Chlamydomonas researchers gather every two years at a research conference to exchange methods, develop collaborative efforts, disseminate recent findings, and plan large-scale studies to improve the usefulness of this unique research organism. This conference provides the only opportunity for Chlamydomonas scientists who work on different research problems to meet face to face, and greatly speeds progress in their respective fields. An important function of these Chlamydomonas conferences is to promote and showcase the work of younger scientists, and to attract new investigators into the Chlamydomonas community. DOE award SC0004085 was used to offset the travel and registration costs for 18 young investigators, 9 of whom were women, including one African American. Most of these scientists would not have been able to attend the conference without DOE support. A total …

A method previously developed to solve large-scale linear systems is applied to statistical Stark broadened line shape calculations. The method is formally exact, numerically stable, and allows optimization of the integration over the quasi-static field to assure numerical accuracy. Furthermore, the method does not increase the computational effort and often can decrease it compared to the conventional approach.

None

None

None

None

If inflation occurred with a reheat temperature > T{sub PQ}, axions from the decay of global axion strings and domain walls would make an important contribution to the cosmological energy density, comparable to that from vacuum misalignment. Several groups have numerically studied the evolution of axion strings and walls in the past, however substantial uncertainties remain in their contribution to the present density {Omega}{sub a,string+wall} {approx} 1-100 (f{sub a}/10{sup 12} GeV){sup 7/6}, where f{sub a} is the axion decay constant. I will describe the numerical methods used in our simulations and show results for several string and wall configurations.

3s{sub 1/2} - 3p{sub 3/2} and 3p{sub 1/2} - 3d{sub 3/2} transitions have been studied in potassium-like W{sup 55+} through neon-like W{sup 64}+ ions at the electron-beam ion trap facility in Livermore. The wavelengths of the lines have been measured in high resolution relative to well known reference lines from oxygen and nitrogen ions. Using the high-energy SuperEBIT electron-beam ion trap and an R = 44.3 m grazing-incidence soft x-ray spectrometer, the lines were observed with a cryogenic charge-coupled device camera. The wavelength data for the sodium-like and magnesium-like tungsten lines are compared with theoretical predictions for ions along the isoelectronic sequences.