SNLO is public domain software developed at Sandia National Laboratories. It is intended to assist in the selection of the best nonlinear crystal for a particular application, and in predicting its performance. This paper briefly describes its functions and how to use them.

Because of their strong internal bonding, S-decorated Cu trimers are a likely agent of S-enhanced Cu transport between islands on Cu(111). According to ab-initio calculations, excellent healing of dangling Cu valence results in an ad-Cu{sub 3}S{sub 3} formation energy of only {approximately}0.28 eV, compared to 0.79 eV for a self-adsorbed Cu atom, and a diffusion barrier {le}0.35 eV.

A scalable, distributed modeling and simulation framework has been developed at Argonne National Laboratory to study Intelligent Transportation Systems. The framework can run on a single-processor workstation, or run distributed on a multiprocessor computer or network of workstations. The framework is modular and supports plug-in models, hardware, and live data sources. The initial set of models currently includes road network and traffic flow, probe and smart vehicles, traffic management centers, communications between vehicles and centers, in-vehicle navigation systems, roadway traffic advisories. The modeling and simulation capability has been used to examine proposed ITS concepts. Results are presented from modeling scenarios from the Advanced Driver and Vehicle Advisory Navigation Concept (ADVANCE) experimental program to demonstrate how the framework can be used to evaluate the benefits of ITS and to plan future ITS operational tests and deployment initiatives.

Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-MS) has become a valuable tool for analyzing microorganisms. The speed with which data can be obtained from MALDI-MS makes this a potentially important tool for biological health hazard monitoring and forensic applications. The excitement in the mass spectrometry community in this potential field of application is evident by the expanding list of research laboratories pursuing development of MALDI-MS for bacterial identification. Numerous research groups have demonstrated the ability to obtain unique MALDI-MS spectra from intact bacterial cells and bacterial cell extracts. The ability to differentiate strains of the same species has been investigated. Reproducibility of MALDI-MS spectra from bacterial species under carefully controlled experimental conditions has also been demonstrated. Wang et al. have reported on interlaboratory reproducibility of the MALDI-MS analysis of several bacterial species. However, there are still issues that need to be addressed, including the careful control of experimental parameters for reproducible spectra and selection of optimal experimental parameters such as solvent and matrix.

Waste Management Area U (WMA U) includes the U Tank Farm, is currently regulated under RCRA interim-status regulations, and is scheduled for closure probably post-2030. Groundwater monitoring has been under an evaluation program that compared general contaminant indicator parameters from downgradient wells to background values established from upgradient wells. One of the indicator parameters, specific conductance, exceeded its background value in one downgradient well triggering a change from detection monitoring to a groundwater quality assessment program. The objective of the first phase of this assessment program is to determine whether the increased concentrations of nitrate and chromium in groundwater are from WMA U or from an upgradient source. Based on the results of the first determination, if WMA U is not the source of contamination, then the site will revert to detection monitoring. If WMA U is the source, then a second part of the groundwater quality assessment plan will be prepared to define the rate and extent of migration of contaminants in the groundwater and their concentrations.

The authors examine pair mass dependence near threshold as a means to measure the spin of the top quark in hadron collisions, and they discuss the possibility that a top quark signal could be hidden among the top events.

The purpose of this manual is to provide Program policy and oversight for the maintenance of Quality Assurance (QA) and Quality Control (QC) within the Environmental Survey and Site Assessment Program (ESSAP) of Oak Ridge Institute for Science and Education. This manual describes administrative systems, as well as specific quality control procedures, which apply to all functional groups in ESSAP. The sites surveyed under this program are primarily those where residual contamination from previous operations may pose a potential risk to the environment or to the health and safety of those in the immediate vicinity. Other major activities include environmental assessments, training related to decommissioning survey activities, effluent sampling and monitoring, special laboratory analyses, program appraisals and document reviews, consulting on environment-related topics, and technical assistance for guideline development. The methodology for performance of particular field and laboratory activities is presented in the ESSAP Survey Procedures Manual and the Laboratory Procedures Manual.

Pacific Northwest National Laboratory (PNNL) conducted a bench-scale study to determine how effective chemically treated Ft. Lewis sediments can degrade trichloroethylene (TCE). The objectives of this experimental study were to quantify: (1) sediment reduction and oxidation reactions, (2) TCE degradation reactions, and (3) other significant geochemical changes that occurred. Sediment reduction and oxidation were investigated to determine the mass of reducible iron in the Ft. Lewis sediments and the rate of this reduction and subsequent oxidation at different temperatures. The temperature dependence was needed to be able to predict field-scale reduction in the relatively cold ({approximately}11 C) Ft. Lewis aquifer. Results of these experiments were used in conjunction with other geochemical and hydraulic characterization to design the field-scale injection experiment and predict barrier longevity. For example, the sediment reduction rate controls the amount of time required for the dithionite solution to fully react with sediments. Sediment oxidation experiments were additionally conducted to determine the oxidation rate and provide a separate measure of the mass of reduced iron. Laboratory experiments that were used to meet these objectives included: (1) sediment reduction in batch (static) systems, (2) sediment reduction in 1-D columns, and (3) sediment oxidation in 1-D columns. Multiple reaction modeling …

This article describes experiments on arc deflection instability carried out during the past few years at the Princeton University Plasma Physics Laboratory (PPPL). The approach has been that of plasma physicists interested in arcs, but they believe these results may be useful to engineers who are responsible for controlling arc behavior in large electric steel furnaces.

{sup 1}H NMR studies of the protonation of highly nonplanar porphyrins with strong acids reveal the presence of the previously elusive monocation, and show that its stability can be related to the amount of saddle distortion induced by protonation; the amount of saddle distortion for a porphyrin dication is also found to correlate well with the rate of intermolecular proton transfer.

The current BNFL Inc. flow sheet for the pretreatment of the Hanford High-Level tank wastes includes the use of Superlig{reg_sign} materials in a dual column system for the removal of {sup 137}Cs and {sup 99}Tc from the aqueous fraction of the waste. The Superlig{reg_sign} materials include the cesium selective Superlig 632and Superlig 644 for removal of {sup 137}Csband Superlig 639 for the removal of {sup 99}Tc present as TcO{sub 4}{sup {minus}}. These materials have been developed and supplied by IBC Technologies, Inc., American Fork, UT. The objectives of this work were to: Evaluate the equilibrium behavior of the Superlig materials for the removal of {sup 137}Cs and {sup 99}Tc (as pertechnetate) from AW-101 (Envelope A) and AN-107 (Envelope C) clarified supernatants; Obtain information of the composition of ion exchange feed streams and the pertechnetate/nonpertechnetate fraction in the samples; and Determine some of the Superlig material physical properties including particle size distribution, dry density and water content. To evaluate the equilibrium behavior, batch contacts at a phase ratio of 100 (5 mL of waste solution: 0.05g of exchanger) were conducted with each of the Superlig materials and each of the waste envelope samples. In order to obtain equilibrium data that bounds …

Molecular dynamics (MD) simulations for three separately parameterized embedded atom methods (EAM) function sets are used to determine the liquid/vapor surface tension {gamma} for Al, Ni, Cu, Ag, and Au. The three EAM models differ in both the functional forms employed and the fitting procedure used. All the EAM potentials underestimate {gamma} but one of the models performs consistently better than the others. The authors show that including a correction to the local charge density associated with gradients in the density together with exploiting the invariance of the EAM bulk potential to appropriate transformations in the charge density can lead to improved values for {gamma}, as well as for solid free surface energies, within existing EAM function sets.

As part of the Department of Energy's (DOE) Gasification Technologies and Transportation Fuels and Chemicals programs, DOE and Texaco are partners through Cooperative Agreement DE-FC26-99FT40658 to determine the feasibility of developing, constructing and operating an Early Entrance Coproduction Plant (EECP). The overall objective of the project is the three-phase development of an EECP that produces at least one product from at least two of the following three categories: Electric power (or heat); Fuels; and Chemicals. The objective is to have these products produced by technologies capable of using synthesis gas derived from coal and/or some other carbonaceous feedstock, such as petroleum coke. The objective of Phase I was to determine the feasibility and define the concept for the EECP located at a specific site and to develop a Research, Development, and Testing (RD and T) Plan for implementation in Phase II. This objective has now been accomplished. A specific site, Motiva Refinery in Port Arthur, Texas, has been selected as the location best suited for the EECP. The specific work requirements of Phase I included: Prepare an EECP Preliminary Concept Report covering Tasks 2-8 specified in the Cooperative Agreement; Develop a Research, Development, and Testing (RD and T) Plan as …

This paper gives an introduction into the topic of primary ion sources that can be used to feed ions of normally solid elements into EBIS devices. Starting with a set of typical requirements for primary ion sources, some major types of ion generators are discussed first, with emphasis on their working principles rather than trying to give a fully representative listing of used and proposed generators. Beam-transport issues between primary ion source and EBIS are then examined, and generic characteristics of suitable beam-formation and transport systems are explained.

The overall objective of this project is the three phase development of an Early Entrance Coproduction Plant (EECP) which produces at least one product from at least two of the following three categories: (1) electric power (or heat), (2) fuels, and (3) chemicals. The objective is to have these products produced by technologies capable of using synthesis gas derived from coal and/or other carbonaceous feedstocks. The objective of Phase I is to determine the feasibility and define the concept for the EECP located at a specific site; develop a Research, Development, and Testing (RD and T) Plan for implementation in Phase II; and prepare a Preliminary Project Financing Plan. The objective of Phase II is to implement the work as outlined in the Phase I RD and T Plan to enhance the development and commercial acceptance of coproduction technology that produces high-value products, particularly those that are critical to our domestic fuel and power requirements. The project will resolve critical knowledge and technology gaps on the integration of gasification and downstream processing to coproduce some combination of power, fuels, and chemicals from coal and/or other carbonaceous feedstocks. The objective of Phase III is to develop an engineering design package and …

A caustic-side solvent extraction (CSSX) process to remove cesium from Savannah River Site (SRS) high-level waste was tested in a minicontactor (2-cm centrifugal contactor). In the first phase of this effort, the minicontactor stage efficiency was improved from 60% to greater than 80% to meet the SRS process requirements using a 32-stage CSSX flowsheet. Then, the CSSX flowsheet was demonstrated in a 32-stage unit, first without solvent recycle, then with it. In both cases, the key process goals were achieved: (1) the cesium was removed from the waste with decontamination factors greater than 40,000 and (2) the recovered cesium was concentrated by a factor of 15 in dilute nitric acid. Oak Ridge National Laboratory (ORNL) analysis of the recycled solvent showed no evidence of impurity buildup.

The main features of this project were the development of a long life (up to 10 years) Liquid Metal Reactor (LMR) and a static conversion subsystem comprising an Alkali Metal Thermal-to-Electric (AMTEC) topping cycle and a ThermoElectric (TE) Bottom cycle. Various coupling options of the LMR with the energy conversion subsystem were explored and, base in the performances found in this analysis, an Indirect Coupling (IC) between the LMR and the AMTEC/TE converters with Alkali Metal Boilers (AMB) was chosen as the reference design. The performance model of the fully integrated sodium-and potassium-AMTEC/TE converters shows that a combined conversion efficiency in excess of 30% could be achieved by the plant. (B204)

Dissection of Molecular Mechanisms Regulating Protein Body Formation in Maize Endosperm - DE-FG03-95-ER20183 Final Technical Report and Patent Summary Dr. Brian A. Larkins, Department of Plant Sciences, University of Arizona, Tucson, AZ 85721 Endosperm texture is an important quality trait in maize, as it influences the shipping characteristics of the grain, its susceptibility to insects, the yield of grits from dry milling, energy costs during wet milling, and the baking and digestibility properties of the flour. There appears to be a causal relationship between kernel hardness and the formation of zein-containing protein bodies, as mutations affecting protein body number and structure are associated with a soft, starchy kernel. In this project we used a variety of approaches to better understand this relationship and investigate the molecular and biochemical changes associated with starchy endosperm mutants. We characterized the distribution of zein mRNAs on endosperm rough endoplasmic reticulum (RER) membranes and the interactions between zein proteins, as each of these could influence the structure of protein bodies. Based on in situ hybridization, mRNAs encoding the 22-kD alpha- and 27-kD gamma-zeins are randomly distributed on RER; hence, mRNA targeting does not appear to influence the formation of protein bodies. Investigation of the interactions …

Bent crystal monochromators were developed for the neutron scattering community: (1) doubly focusing bulk silicon, for high-resolution neutron diffraction; (2) doubly focusing multi-wafer silicon, for residual stress instruments; (3) silicon-wafer: (a) with pneumatic spherical bending, (b) with mechanical cylindrical bending, (c) with mechanical two-dimensional bending, for high-resolution three-axis spectrometry; (4) doubly focusing multi-wafer silicon, for epithermal (eV range) neutrons; (5) doubly focusing composite pyrolytic graphite (low-cost), for high-flux applications.

OAK-B135 Single crystal copper and copper aluminum alloys, oriented to [001] and [134], have been the subject of a number of laser-induced shock compression experiments over the past two years. In-situ x-ray diffraction, visar wave measurements, and recovery experiments have all been performed. The effects of orientation and pressure decay on recovered samples have been characterized by transmission electron microscopy and explained by the application of physically-based constitutive equations. Dislocation densities, dislocation structures, stacking faults, and twinning have all been characterized. Our current work is focused on examining compositional differences as it relates to the stacking fault energy. Additional research has been performed on the nucleation, growth and coalescence of voids in samples shocked at the highest pressures.

Using laser-induced fluorescence, measurements have been made of metastable argon-ion, Ar{sup +}*(3d{sup 4} f{sub 7/2}), velocity distributions on the major axis of an axisymmetric magnetic-mirror device whose plasma is sustained by helicon wave absorption. Within the mirror, these ions have sub-eV temperature and, at most, a subthermal axial drift. In the region outside the mirror coils, conditions are found where these ions have a field-parallel velocity above the acoustic speed, to an axial energy of {approx}30 eV, while the field-parallel ion temperature remains low. The supersonic Ar{sup +}*(3d{sup 4} f{sub 7/2}) are accelerated to one-third of their final energy within a short region in the plasma column, {le}1 cm, and continue to accelerate over the next 5 cm. Neutral gas density strongly affects the supersonic Ar{sup +}*(3d{sup 4} f{sub 7/2}) density.

This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure also provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

{sup 207}Bi (t{sub 1/2}=32.2 y) was generated by activation of weapons material during a few ''clean'' nuclear tests at the U.S. Western Pacific Proving Grounds of Enewetak and Bikini Atolls. The radionuclides first appeared in the Enewetak environment during 1958 and in the environment of Bikini during 1956. Crater sediments from Bikini with high levels of {sup 207}Bi were analyzed by gamma spectrometry in an attempt to determine the relative concentrations of {sup 208}Bi (t{sup 1/2} = 3.68 x 10{sup 5} y). The bismuth isotopes were probably generated during the ''clean'', 9.3 Mt Poplar test held on 7/12/58. The atom ratio of {sup 208}Bi to {sup 207}Bi (R value) ranges from {approx}12 to over 200 in sections of core sediments from the largest nuclear crater at Bikini atoll. The presence of bismuth in the device is suggested to account for R values in excess of 10.

This document is a printout of the S-102 software for the Programmable Logic Controller (PLC) for Pumping, Instrumentation and Control Skid ''E''.