We consider the negative ion concentrations in hydrogen discharges caused by electron excitation and dissociative attachment processes. The principal formation and destruction processes are discussed for electron densities in the range 10/sup 8/ to 10/sup 13/ electrons cm/sup -3/. Expressions are developed for calculating the high energy portion of the electron energy distribution in the discharge; using these energy distributions the electron excitation rates are evaluated. At low densities, the vibrational distribution arises from singlet electronic excitations and triplet excitations through the /sup 3/..pi../sub u/ state, in equilibrium with wall de-excitation processes. At high densities singlet excitations predominate in equilibrium with atom-molecule de-excitation processes. Possibilities for negative ion generation in a two-chamber tandem system are discussed in which the vibrational excitation occurs in a high power, high electron temperature discharge, kT/sub e/ = 5 eV, and dissociative attachment occurs in a low temperature kT/sub e/ = 1 eV, plasma chamber.

Heats of formation of the lowest triplet state of ethylene and the ground triplet state of ethylidene have been predicted by high level electronic structure calculations. Total atomization energies obtained from coupled-cluster CCSD(T) energies extrapolated to the complete basis set limit using correlation consistent basis sets (CBS), plus additional corrections predict the following heats of formation in kcal/mol: Delta H0f(C2H4,3A1) = 80.1 at 0 K and 78.5 at 298 K, and Delta H0f(CH3CH,3A") = 86.8 at 0 K and 85.1 at 298 K, with an error of less than +-1.0 kcal/mol. The vertical and adiabatic singlet-triplet separation energies of ethylene were calculated as Delta ES-T,vert = 104.1 and Delta ES-T,adia = 65.8 kcal/mol. These results are in excellent agreement with recent quantum Monte Carlo (DMC) values of 103.5 +- 0.3 and 66.4 +- 0.3 kcal/mol. Both sets of computational values differ from the experimental estimate of 58 +- 3 kcal/mol for the adiabatic splitting. The computed singlet-triplet gap at 0 K for acetylene is Delta ES-T,adia(C2H2) = 90.5 kcal/mol, which is in notable disagreement with the experimental value of 82.6 kcal/mol. The heat of formation of the triplet is Delta H0f(C2H2,3B2) = 145.3 kcal/mol. There is a systematic underestimation of …

Understanding the aqueous chemistry of plutonium, in particular in environmental conditions, is often complicated by plutonium's complex redox chemistry. Because plutonium possesses four oxidation states, all of which can coexist in solution, a reliable method for the identification of these oxidation states is needed. The identification of plutonium oxidation states at low levels in aqueous solution is often accomplished through an indirect determination using series of liquid-liquid extraction procedures using oxidation state specific reagents such as HDEHP and TTA. While these methods, coupled with radioactive counting techniques provide superior limits of detection they may influence the plutonium redox equilibrium, are time consuming, waste intensive and costly. Other analytical methods such as mass spectrometry and radioactive counting as stand alone methods provide excellent detection limits but lack the ability to discriminate between the oxidation states of the plutonium ions in solution.

Ground state structures with side-on nitrosyl ({eta}{sup 2}-NO) and isonitrosyl (ON) ligands have been observed in a variety of transition-metal complexes. In contrast, excited state structures with bent-NO ligands have been proposed for years but never directly observed. Here we use picosecond time-resolved infrared spectroscopy and density functional theory (DFT) modeling to study the photochemistry of Co(CO){sub 3}(NO), a model transition-metal-NO compound. Surprisingly, we have observed no evidence for ON and {eta}{sup 2}-NO structural isomers, but have observed two bent-NO complexes. DFT modeling of the ground and excited state potentials indicates that the bent-NO complexes correspond to triplet excited states. Photolysis of Co(CO){sub 3}(NO) with a 400-nm pump pulse leads to population of a manifold of excited states which decay to form an excited state triplet bent-NO complex within 1 ps. This structure relaxes to the ground triplet state in ca. 350 ps to form a second bent-NO structure.

LLNL has been using the largest transparent laser ceramics for the last two years in the solid-state heat capacity laser (SSHCL). The lab is very interested in extending the use of transparent ceramics to other laser applications. In this talk we will discuss work at the laboratory aimed at better understanding the sintering and the criteria needed for good ceramic transparency, the application of transparent ceramics in the SSHCL laser and possible new applications of tailored ceramics.

The potential use of different iron phosphates as cathodematerials in lithium-ion batteries has recently been investigated.1 Oneof the promising candidates is LiFePO4. This compound has severaladvantages in comparison to the state-of-the-art cathode material incommercial rechargeable lithium batteries. Firstly, it has a hightheoretical capacity (170 mAh/g). Secondly, it occurs as mineraltriphylite in nature and is inexpensive, thermally stable, non-toxic andnon-hygroscopic. However, its low electronic conductivity (~;10-9 S/cm)results in low power capability. There has been intense worldwideresearch activity to find methods to increase the electronic conductivityof LiFePO4, including supervalent ion doping,2 introducingnon-carbonaceous network conduction3 and carbon coating, and theoptimization of the carbon coating on LiFePO4 particle surfaces.4Recently, the Li doped LiFePO4 (Li1+xFe1-xPO4) synthesized at ARL hasyield electronic conductivity increase up to 106.5 We studied electronicstructure of LiFePO4 and Li doped LiFePO4 by synchrotron based soft X-rayemission (XES) and X-ray absorption (XAS) spectroscopies. XAS probes theunoccupied partial density of states, while XES the occupied partialdensity of states. By combining XAS and XES measurements, we obtainedinformation on band gap and orbital character of both LiFePO4 and Lidoped LiFePO4. The occupied and unoccupied oxygen partial density ofstates (DOS) of LiFePO4 and 5 percent Li doped LiFePO4 are presented inFig. 1. Our experimental results clearly indicate …

The conclusions we have reached are that rainout of fresh radioactive debris occurred at Hiroshima and Nagasaki, that this precipitation was initiated either by the weapon itself or by the ensuing fires or by both, and that self-induced rainout can occur and deposit sufficient amounts of radioactivity on the ground to pose a significant collateral damage hazard.

Catalytic studies on a new method for methanol synthesis from CO and H{sub 2} in a slurry reactor are described. This reaction proceeds through the carbonylation of methanol to methyl formate in the liquid phase followed by hydrogenolysis of methyl formate to two molecules of methanol; the net result is the reaction of CO with H{sub 2} to give methanol. Moderate temperatures and pressures (100--160{degrees}C, 50--65 atm) are used. Reaction rates using mixed catalysts comprised of an alkali methoxide and Cu-chromite are presented. It seems likely that Cu-chromite maintains the activity of the alkali methoxide catalyst. A mixed catalyst comprised of potassium methoxide and Cu-chromite was found to be the most active under the reaction conditions used. Evidence is provided for an interaction between the alkali methoxide and Cu-chromite. 27 refs., 6 figs., 2 tabs.

Imaging techniques that can be used to translate seismic and electromagnetic wave signals into visual representation are briefly discussed. The application of these techniques is illustrated on the example of determining the subsurface structure of a proposed power plant. Imaging makes the wave signals intelligible to the non-geologists. R and D work needed in this area are tabulated. (JSR)

This disposal concept is based on the Tumulus design developed by the French at the La Manche facility. Waste units are stacked above-grade on a concrete pad. The facility currently under development at the Oak Ridge National Laboratory (ORNL) involves sealing waste in concrete vaults, placing the vaults on a grade level concrete pad, and covering the pad and vaults with a soil cover after vault emplacement is complete. Emplacement is expected to continue until the facility exhausts its approximate 800 m/sup 3/ (28,000 ft/sup 3/) capacity. The facility incorporates engineered barriers to radionuclide migration; a monitoring system to ensure barrier performance; and a newly developed set of Demonstration Waste Acceptance Criteria to reduce the likelihood of groundwater contamination.

Figure-of-merit equations for material selection and detailed design equations have been developed to aid in the design of a linear electrooptic deflector element for use in a 10-ps streak camera. The figure of merit indicates that BaTiO/sub 3/, KTN, and ammonium oxalate (AMO) are suitable materials. Possible deflector designs, including that of a current AMO prototype development program, are discussed. Quadratic (Kerr-effect) operation and materials are discussed along with the possibility for 10.6-..mu..m-wavelength use.

We have determined the inelastic magnetic response S({omega}) of UPd{sub x}cu{sub 5{minus}x} (X=1,1.5) for temperatures from 0.3 to 300 K and energies between 05 and 400 meV using the neutron time of flight technique. S({omega}) is virtually identical in the two compound, displaying marginal Fermi Liquid scaling over the entire range of temperatures, as well as scale invariant energetics.

In phase two of the Dual-Axis Radiographic Hydrodynamic Test facility (DARHT-II), four electron beam pulses of variable pulse length strike an X-ray converter target to produce time-resolved X-ray image. An important requirement for the converter target is to minimize the hydrodynamic expansion of the converter material so that there is enough material to generate the required X-ray dose for all four pulses. Minimizing the hydrodynamic expansion is also important from the standpoint of beam transport. If there is too much expansion of the converter material, the spot-size of the beam will deteriorate due to the charge neutralization of the beam by the target plasma. The beam spot size can also be deteriorated by backstreaming ions. However, this effect can be minimized by placing a barrier foil in front of the target. In this paper, we present a converter target design, based on the simulations using the radiation hydrodynamics code LASNEX and the Monte Carlo radiation transport code MCNP, that can produce the required X-ray dose for all four pulses with tolerable X-ray spot size variation. Our calculations also show that the barrier foil may block the backstreaming ions for all four pulses.

Simultaneous measurements of enthalpy, specific volume, temperature, and electrical resistivity for lead and uranium were measured. From the measured data, estimates of the bulk modulus and sound velocity in these metals are made. (GHT)

Particle transport calculations in highly dimensional and physically complex geometries, such as detector calibration, radiation shielding, space reactors, and oil-well logging, generally require Monte Carlo transport techniques. Monte Carlo particle transport can be performed on a variety of computers ranging from APOLLOs to VAXs. Some of the hardware and software developments, which now permit Monte Carlo methods to be routinely used, are reviewed in this paper. The development of inexpensive, large, fast computer memory, coupled with fast central processing units, permits Monte Carlo calculations to be performed on workstations, minicomputers, and supercomputers. The Monte Carlo renaissance is further aided by innovations in computer architecture and software development. Advances in vectorization and parallelization architecture have resulted in the development of new algorithms which have greatly reduced processing times. Finally, the renewed interest in Monte Carlo has spawned new variance reduction techniques which are being implemented in large computer codes. 45 refs.

We consider a deformation of the AdS{sub 5} x S{sup 5} solution of IIB supergravity obtained by taking the boundary value of the dilaton to be time dependent. The time dependence is taken to be slowly varying on the AdS scale thereby introducing a small parameter {epsilon}. The boundary dilaton has a profile which asymptotes to a constant in the far past and future and attains a minimum value at intermediate times. We construct the sugra solution to first non-trivial order in {epsilon}, and find that it is smooth, horizon free, and asymptotically AdS{sub 5} x S{sup 5} in the far future. When the intermediate values of the dilaton becomes small enough the curvature becomes of order the string scale and the sugra approximation breaks down. The resulting dynamics is analysed in the dual SU(N) gauge theory on S{sup 3} with a time dependent coupling constant which varies slowly. When N{epsilon} << 1, we find that a quantum adiabatic approximation is applicable, and use it to argue that at late times the geometry becomes smooth AdS{sub 5} x S{sup 5} again. When N{epsilon} >> 1, we formulate a classical adiabatic perturbation theory based on coherent states which arises in the …

We construct a large class of non-supersymmetric AdS-like throat geometries in string theory by taking non-supersymmetric orbifolds of supersymmetric backgrounds. The scale of SUSY breaking is the AdS radius, and the dual field theory has explicitly broken supersymmetry. The large hierarchy of energy scales in these geometries is stable. We establish this by showing that the dual gauge theories do not have any relevant operators which are singlets under the global symmetries. When the geometries are embedded in a compact internal space, a large enough discrete subgroup of the global symmetries can still survive to prevent any singlet relevant operators from arising. We illustrate this by embedding one case in a non-supersymmetric orbifold of a Calabi-Yau manifold. These examples can serve as a starting point for obtaining Randall-Sundrum models in string theory, and more generally for constructing composite Higgs or technicolor-like models where strongly coupled dynamics leads to the breaking of electro-weak symmetry. Towards the end of the paper, we briefly discuss how bulk gauge fields can be incorporated by introducing D7-branes in the bulk, and also show how the strongly coupled dynamics can lead to an emergent weakly coupled gauge theory in the IR with matter fields including scalars.

Establishing how and when large N/Z values require modified or new theoretical tools is a major quest in nuclear physics. Here we report the first measurement of the lifetime of the 2{sup +}{sub 1} state in the near-dripline nucleus {sup 20}C. The deduced value of {tau}{sub #28;2{sup +}{sub 1}} = 9.8 ± 2.8(stat){sup +0.5}{sub −1.1}(syst) ps gives a reduced transition probability of B(E2;2{sup +}{sub 1}{yields}0{sup +}{sub g.s.}) = 7.5{sup +3.0}{sub −1.7}(stat){sup +1.0}{sub −0.4}(syst) e{sup 2}fm{sup 4} in good agreement with a shell model calculation using isospin-dependent effective charges.

The inventory of certified Type-B fissile material packages consists of ten performance-based packages for offsite transportation purposes, serving transportation programs at the Y-12 National Security Complex. The containment vessels range from 5 to 19 in. in diameter and from 17 to 58 in. in height. The drum assembly external to the containment vessel ranges from 18 to 34 in. in diameter and from 26 to 71 in. in height. The weight of the packaging (drum assembly and containment vessel) ranges from 239 to 1550 lb. The older DT-nn series of Cellotex-based packages are being phased-out and replaced by a new generation of Kaolite-based ('Y-12 patented insulation') packages capable of withstanding the dynamic crush test 10 CFR 71.73(c)(2). Three replacement packages are in various stages of development; two are in use. The U.S. Department of Transportation (DOT) 6M specification package, which does not conform to the U.S. Nuclear Regulatory Commission requirements for Type-B packages, is no longer authorized for service on public roads. The ES-3100 shipping package is an example of a Kaolite-based Type-B fissile material package developed as a replacement package for the DOT 6M. With expanded utility, the ES-3100 is designed and licensed for transporting highly enriched uranium and …

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The National Spherical Torus Experiment (NSTX) has been designed and installed in the existing facilities at Princeton Plasma Physics Laboratory (PPPL). Most of the hardware, plant facilities, auxiliary sub-systems, and power systems originally used for the Tokamak Fusion Test Reactor (TFTR) have been used with suitable modifications to reflect NSTX needs. Prior to 2004, the NSTX power system was feeding twelve (12) circuits in the machine. In 2004 the Resistive Wall Mode (RWM) Coils were installed on the machine to correct error fields. There are six of these coils installed around the machine in the mid-plane. Since these coils need fast and accurate controls, a Switching Power Amplifier (SPA) with three sub-units was procured, installed and commissioned along with other power loop components. Two RWM Coils were connected in series and fed from one SPA sub-unit. After the initial RWM campaign, operational requirements evolved such that each of the RWM coils now requires separate power and control. Hence a second SPA with three sub-units has been procured and installed. The second unit is of improved design and has the controls and power components completely isolated. The existing thyristor rectifier is used as DC Link to both of the Switching Power …

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The successful lasing at the SLAC National Accelerator Laboratory of the Linear Coherent Light Source (LCLS), the first X-ray free-electron laser (X-ray FEL), in the wavelength range 1.5 to 15 {angstrom}, pulse duration of 60 to few femtoseconds, number of coherent photons per pulse from 10{sup 13} to 10{sup 11}, is a landmark event in the development of coherent electromagnetic radiation sources. Until now electrons traversing an undulator magnet in a synchrotron radiation storage ring provided the best X-ray sources. The LCLS has set a new standard, with a peak X-ray brightness higher by ten orders of magnitudes and pulse duration shorter by three orders of magnitudes. LCLS opens a new window in the exploration of matter at the atomic and molecular scales of length and time. Taking a motion picture of chemical processes in a few femtoseconds or less, unraveling the structure and dynamics of complex molecular systems, like proteins, are some of the exciting experiments made possible by LCLS and the other X-ray FELs now being built in Europe and Asia. In this paper, we describe the history of the many theoretical, experimental and technological discoveries and innovations, starting from the 1960s and 1970s, leading to the development …

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