An efficient, scalable, parallel algorithm for treating contacts in solid mechanics has been applied to interactions between particles in smooth particle hydrodynamics (SPH). The algorithm uses three different decompositions within a single timestep: (1) a static FE-decomposition of mesh elements; (2) a dynamic SPH-decomposition of SPH particles; (3) and a dynamic contact-decomposition of contact nodes and SPH particles. The overhead cost of such a scheme is the cost of moving mesh and particle data between the decompositions. This cost turns out to be small in practice, leading to a highly load-balanced decomposition in which to perform each of the three major computational states within a timestep.

The method of cells has been extended to include damage or debonding between all adjacent subcells using a finite element formulation for the original cells assembly. Damage is implemented by placing a nonlinear three-dimensional spring between adjacent subcells. With this arrangement the damage is inherently anisotropic. The ``nonlinear substructure`` cells finite element model is incorporated as a user defined material routine in a general purpose finite element code. The primary motivation for casting the method of cells as a finite element assemblage is to provide a composite constitutive model that facilitates the incorporation of various constituent material models, as well as any level of detail desired in the microstructure geometry. At present, the constituent material models may be anisotropic elastic or isotropic viscoelastic-plastic, while damage evolution is based on the macroscopic strain. The capability of the model is demonstrated through analyses of some simple structures loaded to failure.

A number of compute codes have been modified or developed, both main-frame and PC. Seven codes, of which three are discussed in some detail. The later are: a controller-driven, double-precision version of the coupled-channel code ECIS; the latest version of STAPRE, a precompound plus Hauser-Feshbach nuclear reaction code; and NUSTART, a PC code that analyzes large sets of discrete nuclear levels and the multipole transitions among them. All main-frame codes are now being converted to the UNICOS operating system.

Very dilute (10{sub 12} cm{sup {minus}3}) indium donors in CdTe and ZnSe powders and in CdTe single crystals were investigated using {sup 111}In Perturbed angular correlation spectroscopy. Most indium atoms are in uncomplexed sites but can form weakly-bound complexes with native defects in very defective material. The only complex observed in CdTe is an indium-Cd vacancy pair. The CdTe in which these pairs occur is apparently n-type, most Cd vacancies are free and doubly-charged, and the binding energy with indium is 0.15 eV. In ZnSe, indium can pair with a Zn vacancy or with some other presently unidentified defect. These complexes form in ZnSe containing large concentrations of both free Zn vacancies and complexes of Zn vacancies with other defects. In CdTe, the pair formation equilibration time constant is two days at 15C,an implication that Cd vacancies are mobile at room temperature. Lattice relaxation around a Cd vacancy in CdTe was probed by single crystal PAC experiments.

This paper reports on new and surprising experimental data for catalytic film gas sensing resistors coated with nanoporous sol-gel films to impart selectivity and durability to the sensor structure. This work is the result of attempts to build selectivity and reactivity to the surface of a sensor by modifying it with a series of sol-gel layers. The initial sol-gel SiO{sub 2} layer applied to the sensor surprisingly showed enhanced O{sub 2} interaction with H{sub 2} and reduced susceptibility to poisons such as H{sub 2}S.

At the design intensity of 1.5 {times} 10{sup 13} ppp, the space charge tune shift in the AGS Booster at injection has been estimated to be about 0.35. The beam tunes are therefore spread over many lower order resonance lines and the associated stopbands must be corrected in order to minimize the amplitude growth due to resonance excitation. This requires proper compensation of the resonance-driving harmonics which result from random magnetic field errors. The observation and correction of second and third order resonance stopbands in the AGS Booster is reviewed, and an analysis of magnetic field imperfections based on the required corrections is given.

Nanoporous sol-gel based films are finding a wide variety of uses including gas separations and supports for heterogeneous catalysts. The films can be formed by spin or dip coating, followed by relatively low temperature annealing. The authors used several types of these films as coatings on the Pd alloy thin film sensors they had previously fabricated and studied. The sol-gel films have little effect on the sensing response to H{sub 2} alone. However, in the presence of other gases, the nanoporous film modifies the sensor behavior in several beneficial ways. (1) They have shown that the sol-gel coated sensors were only slightly poisoned by high concentrations of H{sub 2}S while uncoated sensors showed moderate to severe poisoning effects. (2) For a given partial pressure of H{sub 2}, the signal from the sensor is modified by the presence of O{sub 2} and other oxidizing gases.

Because of their commercial availability in bulk single crystal form, the 6H- and 4H- polytypes of SiC are gaining importance for high-power, high-temperature, and high-frequency device applications. Selective area doping is a crucial processing step in integrated circuit manufacturing. In Si technology, selective area doping is accomplished by thermal diffusion or ion-implantation. Because of the low diffusion coefficients of most impurities in SiC, ion implantation is indispensable in SiC device manufacturing. In this paper the authors present their results on donor, acceptor, and compensation implants in 6H-SiC.

Hydrous Metal Oxides (HMOs) are chemically synthesized materials which contain a homogeneous distribution of ion exchangeable alkali cations that provide charge compensation to the metal-oxygen framework. In terms of the major types of inorganic ion exchangers defined by Clearfield, these amorphous HMO materials are similar to both hydrous oxides and layered oxide ion exchangers (e.g., alkali metal titanates). For catalyst applications, the HMO material serves as an ion exchangeable support which facilitates the uniform incorporation of catalyst precursor species. Following catalyst precursor incorporation, an activation step is required to convert the catalyst precursor to the desired active phase. Considerable process development activities at Sandia National Laboratories related to HMO materials have resulted in bulk hydrous titanium oxide (HTO)- and silica-doped hydrous titanium oxide (HTO:Si)-supported NiMo catalysts that are more active in model reactions which simulate direct coal liquefaction (e.g., pyrene hydrogenation) than commercial {gamma}-Al{sub 2}O{sub 3}-supported NiMo catalysts. However, a fundamental explanation does not exist for the enhanced activity of these novel catalyst materials; possible reasons include fundamental differences in support chemistry relative to commercial oxides, high surface area, or catalyst preparation effects (ion exchange vs. incipient wetness impregnation techniques). The goals of this paper are to identify the key …

Various theoretical calculations of radionuclides in the reactions {sup 94}Mo(n,p){sup 94}Nb, {sup 109}Ag(n,2n){sup 108m}Ag, {sup 151}Eu(n,2n){sup 150m}Eu, {sup 153}Eu(n,2n){sup 152g+m2}Eu, {sup 159}Tb(n,2n){sup 158}Tb, {sup 187}Re(n,2n){sup 186m}Re, {sup 179}Hf(n,2n){sup l78m2}Hf, {sup 193}Ir(n,2n){sup 192m2}Ir are compared. We normalize the theoretical results to the evaluated experimental data at 14.5 MeV, and take their average. This yields averaged theoretical excitation functions for the production of the various radionuclides at neutron energies ranging from threshold to 14.5 MeV. We discuss differences between the various theoretical results, and between theory and data where they exist. Our theoretical results may be used in conjunction with experimental data to produce evaluated radionuclide production cross sections for neutron energies lower than 14.5 MeV.

The Booster synchrotron at Brookhaven National Laboratory has been incorporated into the accelerator chain at the Alternating Gradient Synchrotron (AGS) complex. After a successful first commissioning effort in the spring of 1991, the Booster has been part of this year`s silicon, gold and proton physics runs. After a brief review of the Booster design goals, and of the early commissioning, this paper will summarize this year`s activities.

The Booster synchrotron at Brookhaven National Laboratory has been incorporated into the accelerator chain at the Alternating Gradient Synchrotron (AGS) complex. After a successful first commissioning effort in the spring of 1991, the Booster has been part of this year's silicon, gold and proton physics runs. After a brief review of the Booster design goals, and of the early commissioning, this paper will summarize this year's activities.

Hydrous Metal Oxides (HMOs) are chemically synthesized materials which contain a homogeneous distribution of ion exchangeable alkali cations that provide charge compensation to the metal-oxygen framework. Both the presence of these alkali cations and the resulting high cation exchange capacities (4-5 meq/g) clearly set these HMO materials apart from conventional precipitated hydrous oxides. For catalyst applications, the HMO material serves as an ion exchangeable support which facilitates the uniform incorporation of catalyst precursor species. Following catalyst precursor incorporation, an activation step is required to convert the catalyst precursor to the desired active phase. Considerable process development activities at Sandia National Laboratories related to HMO materials have resulted in bulk silica-doped hydrous titanium oxide (HTO:Si)-supported NiMo catalysts that are more active in model compound reactions than commercial NiMo catalysts. These reactions, e.g. pyrene hydrogenation, simulate direct coal liquefaction. However, extension of this process to produce NiMo/HTO:Si catalyst coatings on commercial supports is of interest for liquefaction applications since overall catalyst cost can be reduced and bulk HTO:Si mechanical limitations can be circumvented. In the present effort, NiMo/HTO:Si has been evaluated for hydrodesulfurization (HDS) and hydrodenitrogenation (HDN) of coal derived liquids. NiMo/HTO:Si catalysts have been evaluated in both bulk (unsupported) form and …

Improved efficiency in direct coal liquefaction processes can be obtained by developing catalysts with better activity, selectivity, and life. In previous exploratory research at Sandia National Laboratories, catalysts prepared via hydrous metal oxide (HMO) ion exchangers have been shown to have potential for application to a number of reactions associated with the conversion of coal to liquid fuels. In the present effort, one member of this class of catalysts, hydrous titanium oxide (HTO), has been used to develop catalysts for hydrodesulfurization (HDS) and hydrodenitrogenation (HDN) of coal liquids. For HYD of pyrone, unsupported NiMoHTO catalysts performed better than commercial benchmark catalysts on either a catalyst weight or active metals basis. In a side-by-side comparison of supported NiMoHTO catalysts with commercial counterparts, the supported NiMoHTO catalysts outperformed the Shell 324 and Amocat 1C catalysts for HYD of pyrene. For HDS/HDN of coal liquids, the supported and bulk forms of the NiMoHTO catalysts equaled the performance of the commercial catalysts at 500, 1000, and 1500 psig while containing less active metals. Possible reasons for the high activity of the NiMoHTO catalysts are a high dispersion of the active MoS{sub 2} phase and a high acidity of the bulk NiMoHTO.

For hydrotreating a petroleum-derived liquid feed at 400 C, LHSV = 2. 5 g/g{sub cat}/h, and 1500 psig hydrogen (H) pressure, both HDS and HDN activities were roughly equivalent for a name/TO:Si-coated Amocat catalyst and a commercial alumina-supported name catalyst (Amocat 1C). Superior HDN performance was exhibited by the name/TO: Si-coated Amocat catalyst at low H pressure (500 psig) and after H pressure cycling (1500-500-1500 psig) relative to Amocat 1C. Consistent with previous results obtained on a coal-derived liquid feed, the HDS/HDN results with the petroleum-derived liquid showed that the performance of the name/TO:Si-coated Amocat catalyst on an active metals weight basis exceeded the performance of Amocat 1C at all test conditions. The name/TO:Si-coated Amocat catalyst also showed potentially increased hydrogenation activity, increased resistance to deactivation, and increased yields of lower boiling point distillate fractions, although further work is needed.

Observations of high intensity effects on the proton performance of the AGS Booster are presented, including present operational limits and correction methods. The transverse emittances, optimum tune working points, damping of coherent transverse oscillations and correction of stopband resonances through third-order are discussed in addition to the observed tune spread due to space charge forces. The initial longitudinal phase space distribution, capture and acceleration parameters and measurements are also given. Operational tools and strategies relevant to the high intensity setup are mentioned.

Observations of high intensity effects on the proton performance of the AGS Booster are presented, including present operational limits and correction methods. The transverse emittances, optimum tune working points, damping of coherent transverse oscillations and correction of stopband resonances through third-order are discussed in addition to the observed tune spread due to space charge forces. The initial longitudinal phase space distribution, capture and acceleration parameters and measurements are also given. Operational tools and strategies relevant to the high intensity setup are mentioned.

The latest ion-implantation results on SiC are presented. The authors have performed nitrogen and phosphorus (N/P) co-implantations to obtain very high n-type carrier concentrations, Si and C bombardments for compensating n-type SiC, and V-implantation for compensating p-type SiC. They have also performed N and Al implantations directly into V-doped semi-insulating 6H-SiC substrates. Vertical p-n junction diodes were made by selective area N, P, and N/P implantations into p-type epitaxial layers grown on 6H-SiC substrates.

The processing of materials using rf and/or microwave power is a broad area that has grown significantly in the past few years. The authors have applied rf and microwave technology in the areas of ceramic sintering, plasma processing, and waste processing. The sintering of ceramics in the frequency range of 50 MHz-28 GHz has lead to unique material characteristics compared to materials that have been sintered conventionally. It has been demonstrated that sintering can be achieved in a variety of materials, including alumina, zirconia, silicon carbide, and boron carbide. In the area of plasma processing, progress has been made in the development and understanding of high density plasma sources, including inductively coupled plasma (ICP) sources. The effects of processing conditions on the ion energy distribution at the substrate surface (a critical processing issue) have been determined for a variety of process gases. The relationship between modeling and experiment is being established. Microwave technology has also been applied to the treatment of radioactive and chemical waste. The application of microwaves to the removal of contaminated concrete has been demonstrated. Details of these programs and other potential application areas are discussed.

Motivated by the need to commission 3 beam transport lines for the new AGS Booster project, we have developed a generalized emittance-measurement program; beam line specifics are entirely resident in data tables, not in program code. For instrumentation, the program requires one or more multi-wire profile monitors; one or multiple profiles are acquired from each monitor, corresponding to one or multiple tunes of the transport line. Emittances and Twiss parameters are calculated using generalized algorithms. The required matix descriptions of the beam optics are constructed by an on-line general beam modeling program. Design of the program, its algorithms, and initial experience with it will be described. 4 refs., 2 figs., 1 tab.

At the design intensity of 1.5 {times} 10{sup 13} ppp, the space charge tune shift in the AGS Booster at injection has been estimated to be about 0.35. Therefore, the beam is spread over may lower order resonance lines and the stopbands have to be corrected to minimize the amplitude growth by proper compensation of the driving harmonics resulting from random errors. The observation and correction of second and third order resonance stopbands in the AGS Booster, and the establishment of a favorable operating point at high intensity are discussed.

Patterns of microearthquakes detected downhole defined fracture orientation and extent in the Austin chalk, Giddings field, TX and the 76 field, Clinton Co., KY. We collected over 480 and 770 microearthquakes during hydraulic stimulation at two sites in the Austin chalk, and over 3200 during primary production in Clinton Co. Data were of high enough quality that 20%, 31% and 53% of the events could be located, respectively. Reflected waves constrained microearthquakes to the stimulated depths at the base of the Austin chalk. In plan view, microearthquakes defined elongate fracture zones extending from the stimulation wells parallel to the regional fracture trend. However, widths of the stimulated zones differed by a factor of five between the two Austin chalk sites, indicating a large difference in the population of ancillary fractures. Post-stimulation production was much higher from the wider zone. At Clinton Co., microearthquakes defined low-angle, reverse-fault fracture zones above and below a producing zone. Associations with depleted production intervals indicated the mapped fractures had been previously drained. Drilling showed that the fractures currently contain brine. The seismic behavior was consistent with poroelastic models that predicted slight increases in compressive stress above and below the drained volume.

The US Department of Energy has required radiological sabotage vulnerability assessments to be conducted for years. However, the exact methodology to be used in this type of analysis still remains somewhat elusive. Therefore, there is tremendous variation in the methodologies and assumptions used to determine release levels and doses potentially affecting the health and safety of the public. In some cases, there are three orders of magnitude difference in results for dispersal of similar materials under similar meteorological conditions. To address this issue, the authors have developed an approach to standardizing radiological sabotage target analysis that starts by addressing basic assumptions and then directs the user to some recommended computerized analytical tools. Results from different dispersal codes are also compared in this analysis.

Today`s skills will be obsolete in the year 2000. That workforce will require a much higher degree of technical sophistication and adaptability. Enormous demands will be made of DOE contractor training departments even as federal deficit reduction actions increasingly restrict resources and as the emergence of electronic performance support systems appear to diminish the need for training. True training will still be required but they must, and can, train better, faster, and cheaper. These goals are attainable by implementing the implications of performance-based training and by focusing on learning instead of on teaching. (Indeed, ability to learn efficiently and rapidly will be the premier talent in the next century.) Training Departments must dedicate themselves to changing performance, not to teaching classes. The best training department of the future will have no {open_quotes}instructors{close_quotes}. Trainingforce 2000 will look and function much differently.