Semiempirical interatomic potentials are developed for silicon and carbon by modeling the total energy of the system using tight-binding approaches. The parameters of the models were obtained by fitting to results from accurate first-principles Local Density Functional calculations. Applications to the computation of phonons as a function of volume for diamond-structured silicon and carbon and the thermal expansions for silicon and diamond yields results which agree well with experiment. The physical origin of the negative thermal expansion observed in silicon is explained. A tight-binding total energy model is generated capable of describing carbon systems with a variety of atomic coordinations and topologies. The model reproduces the total energy versus volume curves of various carbon polytypes as well as phonons and elastic constants of diamond and graphite. The model has also been used in the molecular-dynamics simulation of the properties of carbon clusters. The calculated ground-state geometries of small clusters (C{sub 2}--C{sub 10}) correlates well with results from accurate quantum chemical calculations, and the structural trend of clusters from C{sub 2} to C{sub 60} are investigated. 67 refs., 19 figs.

This report presents current data on production, consumption, stocks, imports, exports, and prices of the principal energy commodities in the United States. Also included are data on international production of crude oil, consumption of petroleum products, petroleum stocks, and production of electricity from nuclear-powered facilities. 36 figs., 57 tabs.

This report lists the 12 adopted United Nations Security Council resolutions relating to the Iraq-Kuwait situation through October 1991. The texts of these resolutions, along with the votes by members of the Council, are included in this report.

During the seventh quarter, water pretreatment experiments were done at lower pressures (1000 psig), with early H{sub 2}O injection or continuous H{sub 2}O injection, and with demineralized coals. In addition, a set of blank experiments was done with all four coals in helium at the following conditions: 350{degrees}C; 4000 psig; 20 minutes. An additional experiment was done with the Zap lignite at atmospheric pressure. Helium was used instead of nitrogen since it can be obtained in highly pure grades. The purpose of the blank experiments is to determine how much of the water pretreatment process is a thermal and/or pressure effort. The residues from the standard water pretreatment experiments with Illinois and Pittsburgh coals were subjected to analysis by TG-FTIR, solvent extraction, solvent swelling, oxygen reactivity index and donor solvent liquefaction. The pyridine extractables were analyzed. With regard to liquefaction behavior, improvements in the yields of oils and toluene solubles are observed for selected Illinois and Pittsburgh coals at longer pretreatment times ({ge} 60 minutes).

The energetics and structures of clean and adsorbate covered surfaces are investigated in this dissertation. First, the formalism, within the Corrected Effective Medium (CEM) method, for calculating the surface energy of a clean surface is derived. The surface energies for many different metals and their low index surfaces are presented. The minimization of the surface energy is then used to predict the multilayer relaxation of the Al(111), (100), Ni(100), (110) and Fe(100) surfaces. Extensions of the surface CEM formalism to calculate the binding energies of ordered adsorbates on metals surfaces are also derived. The minimization of the binding energy allowed determination of the binding heights, sites and the extent of induced multilayer relaxation for H and N atoms on the Fe(110), (100) and W(110) surfaces. The last topic deals with the dynamics of the epitaxial growth of metals on metal surfaces. The CEM method was first modified by making approximations to enable faster evaluations of the potential and its corresponding forces for molecular dynamics simulations. The goal of these simulations was to identify the important steps in the formation of equilibrium epitaxial structures. 180 refs., 31 figs., 18 tabs.

The availability of instrumentation to measure the high outlet gas temperature of a particle bed reactor is a topic of some concern. There are a number of possible techniques with advantages and disadvantages. In order to provide some baseline choice of instrumentation, a review has been conducted of these various technologies. This report summarizes the results of this review for a group of technologies loosely defined as optical techniques (excluding optical pyrometry). The review has concentrated on a number of questions for each technology investigated. These are: (1) Description of the technology, (2) Anticipated sensitivity and accuracy, (3) Requirements for implementation, (4) Necessary development time and costs, (5) Advantages and disadvantages of the technology. Each of these areas was considered for a technology and a large number of technologies were considered in a review of the literature. Based upon this review it was found that a large number of methods exist to measure temperatures in excess of 2000 K. None of the methods found were ideal. Four methods, however, appeared to warrant further consideration: opto-mechanical expansion thermometry, surface Raman spectroscopy, gas-phase Raman spectroscopy and coherent anti-Stokes Raman spectroscopy (CARS). These techniques will be discussed further in this document.

A weekly publication, the Texas Register serves as the journal of state agency rulemaking for Texas. Information published in the Texas Register includes proposed, adopted, withdrawn and emergency rule actions, notices of state agency review of agency rules, governor's appointments, attorney general opinions, and miscellaneous documents such as requests for proposals. After adoption, these rulemaking actions are codified into the Texas Administrative Code.

A weekly publication, the Texas Register serves as the journal of state agency rulemaking for Texas. Information published in the Texas Register includes proposed, adopted, withdrawn and emergency rule actions, notices of state agency review of agency rules, governor's appointments, attorney general opinions, and miscellaneous documents such as requests for proposals. After adoption, these rulemaking actions are codified into the Texas Administrative Code.

During the seventh quarter, water pretreatment experiments were done at lower pressures (1000 psig), with early H{sub 2}O injection or continuous H{sub 2}O injection, and with demineralized coals. In addition, a set of blank experiments was done with all four coals in helium at the following conditions: 350{degrees}C; 4000 psig; 20 minutes. An additional experiment was done with the Zap lignite at atmospheric pressure. Helium was used instead of nitrogen since it can be obtained in highly pure grades. The purpose of the blank experiments is to determine how much of the water pretreatment process is a thermal and/or pressure effort. The residues from the standard water pretreatment experiments with Illinois and Pittsburgh coals were subjected to analysis by TG-FTIR, solvent extraction, solvent swelling, oxygen reactivity index and donor solvent liquefaction. The pyridine extractables were analyzed. With regard to liquefaction behavior, improvements in the yields of oils and toluene solubles are observed for selected Illinois and Pittsburgh coals at longer pretreatment times ({ge} 60 minutes).

None

The availability of instrumentation to measure the high outlet gas temperature of a particle bed reactor is a topic of some concern. There are a number of possible techniques with advantages and disadvantages. In order to provide some baseline choice of instrumentation, a review has been conducted of these various technologies. This report summarizes the results of this review for a group of technologies loosely defined as optical techniques (excluding optical pyrometry). The review has concentrated on a number of questions for each technology investigated. These are: (1) Description of the technology, (2) Anticipated sensitivity and accuracy, (3) Requirements for implementation, (4) Necessary development time and costs, (5) Advantages and disadvantages of the technology. Each of these areas was considered for a technology and a large number of technologies were considered in a review of the literature. Based upon this review it was found that a large number of methods exist to measure temperatures in excess of 2000 K. None of the methods found were ideal. Four methods, however, appeared to warrant further consideration: opto-mechanical expansion thermometry, surface Raman spectroscopy, gas-phase Raman spectroscopy and coherent anti-Stokes Raman spectroscopy (CARS). These techniques will be discussed further in this document.

The water level of Par Pond has been lowered over the past several months to reduce the effects in the event of catastrophic dam failure while assessing the condition of the dam and determining if repairs are necessary. In lowering the level of Par Pond, 60 billion liters of water containing low levels of tritium and cesium-137 were discharged to several onsite streams. SRS surface streams flow to the Savannah River. An assessment made to determine the total amount of tritium and Cs-137 discharged and to estimate the consequences to downstream Savannah River users. It is estimated that a total of 160 curies of tritium were displaced from Par Pond to the Savannah River between June 28, 1991 and September 19, 1991. This release could hypothetically result in a maximum individual dose of 3. 2{times}10{sup {minus}4} mrem and a total (80-km and drinking water populations) population dose of 1.4{times}10{sup {minus}2} person-rem. Likewise, a maximum individual dose of 5.0{times}10{sup {minus}2} mrem and a total population dose of 1.7{times}10{sup {minus}1} person- rem are predicted as a result of an estimated 0.21 curies of Cs-137 being discharged from Par Pond to the Savannah River.

The water level of Par Pond has been lowered over the past several months to reduce the effects in the event of catastrophic dam failure while assessing the condition of the dam and determining if repairs are necessary. In lowering the level of Par Pond, 60 billion liters of water containing low levels of tritium and cesium-137 were discharged to several onsite streams. SRS surface streams flow to the Savannah River. An assessment made to determine the total amount of tritium and Cs-137 discharged and to estimate the consequences to downstream Savannah River users. It is estimated that a total of 160 curies of tritium were displaced from Par Pond to the Savannah River between June 28, 1991 and September 19, 1991. This release could hypothetically result in a maximum individual dose of 3. 2{times}10{sup {minus}4} mrem and a total (80-km and drinking water populations) population dose of 1.4{times}10{sup {minus}2} person-rem. Likewise, a maximum individual dose of 5.0{times}10{sup {minus}2} mrem and a total population dose of 1.7{times}10{sup {minus}1} person- rem are predicted as a result of an estimated 0.21 curies of Cs-137 being discharged from Par Pond to the Savannah River.

Weekly newsletter discussing natural resources, parks, hunting and fishing, and other information related to the outdoors in Texas.

This report describes recent changes in U.S. burdensharing relationships with NATO, Japan and South Korea and, in the process, identifies some implications for U.S. foreign policy.