Molecular Dynamics Simulations of Coulomb Explosion (open access)

Molecular Dynamics Simulations of Coulomb Explosion

A swift ion creates a track of electronic excitations in the target material. A net repulsion inside the track can cause a ''Coulomb Explosion'', which can lead to damage and sputtering of the material. Here we report results from molecular-dynamics (MD) simulations of Coulomb explosion for a cylindrical track as a function of charge density and neutralization/quenching time, {tau}. Screening by the free electrons is accounted for using a screened Coulomb potential for the interaction among charges. The yield exhibits a prompt component from the track core and a component, which dominates at higher excitation density, from the heated region produced. For the cases studied, the number of atoms ejected per incident ion, i.e. the sputtering yield Y, is quadratic with charge density along the track as suggested by simple models. Y({tau} = 0.2 Debye periods) is nearly 20% of the yield when there is no neutralization ({tau} {yields} {infinity}). The connections between ''Coulomb explosions'', thermal spikes and measurements of electronic sputtering are discussed.
Date: May 17, 2002
Creator: Bringa, E M
Object Type: Article
System: The UNT Digital Library
Grain boundary structure and solute segregation in titanium-doped sapphire bicrystals (open access)

Grain boundary structure and solute segregation in titanium-doped sapphire bicrystals

Solute segregation to ceramic grain boundaries governs material processing and microstructure evolution, and can strongly influence material properties critical to engineering performance. Understanding the evolution and implications of grain boundary chemistry is a vital component in the greater effort to engineer ceramics with controlled microstructures. This study examines solute segregation to engineered grain boundaries in titanium-doped sapphire (Al2O3) bicrystals, and explores relationships between grain boundary structure and chemistry at the nanometer scale using spectroscopic and imaging techniques in the transmission electron microscope (TEM). Results demonstrate dramatic changes in solute segregation stemming from small fluctuations in grain boundary plane and structure. Titanium and silicon solute species exhibit strong tendencies to segregate to non-basal and basal grain boundary planes, respectively. Evidence suggests that grain boundary faceting occurs in low-angle twis t boundaries to accommodate nonequilibrium solute segregation related to slow specimen cooling rates, while faceting of tilt grain boundaries often occurs to expose special planes of the coincidence site lattice (CSL). Moreover, quantitative analysis of grain boundary chemistry indicates preferential segregation of charged defects to grain boundary dislocations. These results offer direct proof that static dislocations in ionic materials can assume a net charge, and emphasize the importance of interactions between charged …
Date: May 17, 2002
Creator: Taylor, Seth T.
Object Type: Thesis or Dissertation
System: The UNT Digital Library
Characterization of Microbial Communities from Pristine and Chlorinated-Ethene-Contaminated Landfill Groundwater (open access)

Characterization of Microbial Communities from Pristine and Chlorinated-Ethene-Contaminated Landfill Groundwater

Molecular, phospholipid fatty acid analysis (PLFA), and substrate utilization (BIOLOG) techniques were used to assess structural and functional differences between microbial communities from a chlorinated-ethene (CE)-contaminated groundwater at a sanitary landfill. The information will be used to evaluate natural attenuation of the associated CE plume. Two groundwater-monitoring wells were tested.
Date: May 17, 2002
Creator: Brigmon, R.L.
Object Type: Article
System: The UNT Digital Library
From Design Through Operations-Results From New Construction Performance Contract and Beyond (open access)

From Design Through Operations-Results From New Construction Performance Contract and Beyond

As part of the High Performance Commercial Building Systems program, LBNL has been working with the City of Oakland to understand the ongoing performance of the Oakland Administration Buildings. The primary objective of this research is to understand the performance targets and ongoing performance of two buildings that were the subject of a new construction performance contract. Secondary objectives include examining the building performance information systems developed as part of the new construction performance contract and evaluating the role of the energy management and control system (EMCS) as a data acquisition tool to provide recommendations for future new construction projects. We examine the results of the performance contract in detail, and provide additional performance metrics that go beyond what was required in the performance contract. We found that the energy cost intensities (ECI) linked to the project ranged from $1.08/ft{sup 2} to $1.44/ft{sup 2}. Changes in floor area, energy costs, rate schedules, and energy use complicate the evaluation of the performance because of the lack of tracking of underlying data and assumptions. Overall, Oakland has two large office buildings with relatively low-energy use (50 kBtu/ft{sup 2}-yr site electricity and gas use). We compare this energy-use intensity with a number of …
Date: May 17, 2002
Creator: Motegi, Naoya; Piette, Mary Ann & Wentworth, Scott
Object Type: Article
System: The UNT Digital Library
Development of comprehensive and integrated models for inertial fusion cavity dynamics. (open access)

Development of comprehensive and integrated models for inertial fusion cavity dynamics.

The chamber walls in inertial fusion energy (IFE) reactors are exposed to harsh conditions following each target implosion. Key issues of the cyclic IFE operation include intense photon and ion deposition, wall thermal and hydrodynamic evolution, wall erosion and fatigue lifetime, and chamber clearing and evacuation to ensure chamber conditions prior to target implosion. Several methods for wall protection have been proposed in the past, each having its own advantages and disadvantages. These methods include bare walls, gas-filled cavities, and liquid walls/jets. We have developed detailed models for reflected laser light, emitted photon, and target debris deposition and interaction with chamber components and implemented them in the comprehensive HEIGHTS software package. The hydrodynamic response of gas-filled cavities and photon radiation transport of the deposited energy has been calculated using new and advanced numerical techniques. Fragmentation models of liquid jets as a result of the deposited energy have also been developed, and the impact on chamber clearing dynamics has been evaluated. The focus of this study is to critically assess the reliability and the dynamic response of chamber walls in various proposed protection methods in IFE systems. Of particular concern is the effect on wall erosion lifetime of various erosion mechanisms, …
Date: May 17, 2002
Creator: Hassanein, A. & Morozov, V.
Object Type: Report
System: The UNT Digital Library
New contact development for Si(Li) orthogonal-strip detectors (open access)

New contact development for Si(Li) orthogonal-strip detectors

At present, the contacts generally used for lithium-drifted silicon detectors consist of a diffused lithium layer (n-type) and a gold surface barrier (p-type). These contacts work well for unsegmented detectors. However, they both have disadvantages if used for segmented detectors. For this reason, we are developing new types of contacts that will be more robust and easier to segment. To replace the lithium n-type contact, we are using a thin layer of amorphous silicon (a-Si) with metalization on top. The new p-type contact consists of boron implanted into the silicon and annealed at the relatively low temperature of 500 degrees C. The implantation and annealing is carried out as the first step in the process, prior to lithium drifting. Detectors have been fabricated using the new contacts both with and without a guard ring. They performed as well as detectors with standard contacts at operating temperatures between 80K and 240K. We will present data on the leakage current vs. temperature, isolation resistance between the guard ring and the center contact versus temperature and bias voltage, electronic noise and energy resolution versus temperature, as well as 57Co spectra.
Date: May 17, 2002
Creator: Hau, Ionel D.; Tindall, Craig T. & Luke, Paul N.
Object Type: Article
System: The UNT Digital Library
Enhanced teleoperation exhibiting tele-autonomy and tele-collaboration. (open access)

Enhanced teleoperation exhibiting tele-autonomy and tele-collaboration.

This paper presents enhanced remote manipulation of tools for D&D tasks by extending teleoperation with teleautonomy and tele-collaboration. This work builds on a reactive, agent-based control architecture, which is well suited to unstructured and unpredictable environments, and cobot control technology, which implements a virtual fixture that can be used to guide the application of tools with passive force-feedback control. Developed methodologies are tested using simulation, and then planned to be implemented using a structured light sensor and cobot hand controller on a dual-arm system to measure the enhanced performance of key tool operations that are tedious and difficult to perform purely by teleoperation. This work significantly leverages some 2000 hours of operational experience gained during the D&D of the CP-5 reactor at ANL using a dual-arm remote manipulator system, as well as DOE's investment in the dual-arm system itself, which will serve as a test bed for the proposed investigations.
Date: May 17, 2002
Creator: Park, Y. S.; Ewing, T. F.; Yule, T. J.; Colgate, E. & Peshkin, M.
Object Type: Article
System: The UNT Digital Library
ENDL Type Formats for the LLNL Evaluated Atomic Data Library (EADL), Evaluated Electron Data Library (EEDL), and Evaluated Photon Data Library (EPDL) (open access)

ENDL Type Formats for the LLNL Evaluated Atomic Data Library (EADL), Evaluated Electron Data Library (EEDL), and Evaluated Photon Data Library (EPDL)

The character file formats for the Lawrence Livermore National Laboratory evaluated atomic relaxation library (EADL), the electron library (EEDL), and the photon library (EPDL) are given in this report.
Date: May 17, 2002
Creator: Perkins, S T & Cullen, D E
Object Type: Report
System: The UNT Digital Library
Simulation of the Effect of Plasma Flows in DIII-D, JET, and JT-60U (open access)

Simulation of the Effect of Plasma Flows in DIII-D, JET, and JT-60U

The results of 2D fluid plasma simulations of the ion flow in the boundary plasma of DIII-D, JET, and JT-60U are reported. The model includes the effects of drifts and of impurity radiation using a multi-species model of intrinsic carbon impurities. Drift effects are important in determining the primary and impurity ion fluxes in the SOL and the private region, with ExB drifts dominant. Simulated parallel velocities are consistent with experimental measurement on the high field side of JT-60U, where the parallel flow is determined by ion sources. Simulated parallel velocities are significantly less than seen in experiment at the outer midplane of JT-60U, and at the top of JET where the flow is sensitive to poloidal variations of the turbulence driven transport, suggesting the velocity in these regions is determined by transport. Parallel flows are reversed by changing the direction of the ion VB drift relative to the X-point.
Date: May 17, 2002
Creator: Porter, G. D.; Rognlien, T. D.; Rensink, M. E.; Loarte, A.; Asakura, N.; Takenaga, H. et al.
Object Type: Article
System: The UNT Digital Library
Thermal Conductivity and Shear Strength of K Basin Sludge (open access)

Thermal Conductivity and Shear Strength of K Basin Sludge

Hanford K Basin sludge contains metallic uranium and uranium oxides that will corrode, hydrate, and, consequently, generate heat and hydrogen gas during storage. Heat is generated within the K Basin sludge by radiolytic decay and the reaction of uranium metal with water. To maintain thermal stability, the sludge must be retrieved, staged, transported, and stored in systems designed to provide a rate of heat removal that prevents the temperature in the sludge from increasing beyond acceptable limits. To support the dispositioning of the sludge to T Plant, modeling and testing and analyses are being performed to predict the behavior of sludge when placed into the storage containers. Two physical properties of the sludge that are critical to the modeling and analyses efforts are thermal conductivity and the sludge shear strength (yield stress). This report provides the results of thermal conductivity and shear strength measurements performed on representative sludge samples from the K East Basin.
Date: May 17, 2002
Creator: Poloski, Adam P. (BATTELLE (PACIFIC NW LAB)); Bredt, Paul R. (BATTELLE (PACIFIC NW LAB)); Schmidt, Andrew J. (BATTELLE (PACIFIC NW LAB)); Swoboda, Robert G. (BATTELLE (PACIFIC NW LAB)); Chenault, Jeffrey W. (BATTELLE (PACIFIC NW LAB)) & Gano, Sue (BATTELLE (PACIFIC NW LAB))
Object Type: Report
System: The UNT Digital Library
Comparison of Carbon and Main Ion Radiation Profiles in Matched Helium and Deuterium Plasmas in JET (open access)

Comparison of Carbon and Main Ion Radiation Profiles in Matched Helium and Deuterium Plasmas in JET

This paper examines the radiation profiles and corresponding ionization source profiles of various carbon and main plasma ions in matched helium and deuterium L-mode plasmas in JET. Operation in helium should reduce chemical sputtering of carbon substantially compared with deuterium. The radiation intensities from C{sup 1+}, C{sup 2+} and C{sup 3+} in the helium plasmas showed reduction by factors of 8, 10 and 25 respectively along the inner SOL and divertor leg compared with the deuterium cases. However, the emission in the outer divertor leg was less than a factor of 2 lower in helium. Using photon efficiencies calculated by the UEDGE code for the spectrometer lines of sight, the calculated source rates of C{sup 1+} and C{sup 3+} along the inner SOL and inner divertor were reduced by a factors of 4 and 20 respectively in the helium plasmas. In the outer divertor leg the source rate of C{sup 3+} was reduced by a factor of 10 but the C{sup 1+} source rate did not change in helium. These measurements are consistent with a model that chemical sputtering of carbon dominates the source from the inner wall and inner divertor in deuterium L-mode plasmas while physical sputtering appears to …
Date: May 17, 2002
Creator: Fenstermacher, M. E.; Lawson, K. D.; Porter, G. D.; Erents, S. K.; Ingesson, C.; Mathews, G. F. et al.
Object Type: Article
System: The UNT Digital Library
Update on Calibration of the Lawrence Livermore National Laboratory Passive-Active Neutron Drum Shuffler for Measurement of Highly Enriched Uranium Oxide (open access)

Update on Calibration of the Lawrence Livermore National Laboratory Passive-Active Neutron Drum Shuffler for Measurement of Highly Enriched Uranium Oxide

In October of 1999, Lawrence Livermore National Laboratory (LLNL) began an effort to calibrate the LLNL passive-active neutron (PAN) drum shuffler for measurement of highly enriched uranium (HEU) oxide. A single unit of certified reference material (CRM) 149 [Uranium (93% Enriched) Oxide - U{sub 3}O{sub 8} Standard for Neutron Counting Measurements] was used to (1) develop a mass calibration curve for HEU oxide in the nominal range of 393 g to 3144 g {sup 235}U, and (2) perform a detailed axial and radial mapping of the detector response over a wide region of the PAN shuffler counting chamber. Results from these efforts were reported at the Institute of Nuclear Materials Management 41st Annual Meeting in July 2000. This paper describes subsequent efforts by LLNL to use a unit of CRM 146 [Uranium Isotopic Standard for Gamma Spectrometry Measurements] in consort with Monte Carlo simulations of the PAN shuffler response to CRM 149 and CRM 146 units and a selected set of containers with CRM 149-equivalent U{sub 3}O{sub 8} to (1) extend the low range of the reported mass calibration curve to 10 g {sup 235}U, (2) evaluate the effect of U{sub 3}O{sub 8} density (2.4 g/cm{sup 3} to 4.8 g/cm{sup …
Date: May 17, 2002
Creator: Mount, M.; O'Connell, W.; Cochran, C.; Rinard, P.; Dearborn, D. & Endres, E.
Object Type: Article
System: The UNT Digital Library
R&D of a Cyclone Melting Technology for Converting SPL to Useful Glass Fiber Products (open access)

R&D of a Cyclone Melting Technology for Converting SPL to Useful Glass Fiber Products

The objective of the project was to develop experimental data and evaluate the feasibility of converting SPL to commercial quality glass fiber and fluoride products using Vortec's CMS technology.
Date: May 17, 2002
Creator: Leonard M. Bartone, Jr.
Object Type: Report
System: The UNT Digital Library
Development of a California Commercial Building Benchmarking Database (open access)

Development of a California Commercial Building Benchmarking Database

Building energy benchmarking is a useful starting point for commercial building owners and operators to target energy savings opportunities. There are a number of tools and methods for benchmarking energy use. Benchmarking based on regional data can provides more relevant information for California buildings than national tools such as Energy Star. This paper discusses issues related to benchmarking commercial building energy use and the development of Cal-Arch, a building energy benchmarking database for California. Currently Cal-Arch uses existing survey data from California's Commercial End Use Survey (CEUS), a largely underutilized wealth of information collected by California's major utilities. Doe's Commercial Building Energy Consumption Survey (CBECS) is used by a similar tool, Arch, and by a number of other benchmarking tools. Future versions of Arch/Cal-Arch will utilize additional data sources including modeled data and individual buildings to expand the database.
Date: May 17, 2002
Creator: Kinney, Satkartar & Piette, Mary Ann
Object Type: Article
System: The UNT Digital Library
A computer simulation appraisal of non-residential low energy cooling systems in California (open access)

A computer simulation appraisal of non-residential low energy cooling systems in California

An appraisal of the potential performance of different Low Energy Cooling (LEC) systems in nonresidential buildings in California is being conducted using computer simulation. The paper presents results from the first phase of the study, which addressed the systems that can be modeled, with the DOE-2.1E simulation program. The following LEC technologies were simulated as variants of a conventional variable-air-volume system with vapor compression cooling and mixing ventilation in the occupied spaces: Air-side indirect and indirect/direct evaporative pre-cooling. Cool beams. Displacement ventilation. Results are presented for four populous climates, represented by Oakland, Sacramento, Pasadena and San Diego. The greatest energy savings are obtained from a combination of displacement ventilation and air-side indirect/direct evaporative pre-cooling. Cool beam systems have the lowest peak demand but do not reduce energy consumption significantly because the reduction in fan energy is offse t by a reduction in air-side free cooling. Overall, the results indicate significant opportunities for LEC technologies to reduce energy consumption and demand in nonresidential new construction and retrofit.
Date: May 17, 2002
Creator: Bourassa, Norman; Haves, Philip & Huang, Joe
Object Type: Article
System: The UNT Digital Library