The IGCC system will consist of CE`s air-blown, entrained-flow, two-stage, pressurized coal gasifier; an advanced hot gas cleanup process; a combustion turbine adapted to use low-Btu coal gas; and all necessary coal handling equipment. The IGCC will include CE`s slogging, entrained-flow, gasifier operating in a pressurized mode and using air as the oxidant. The hot gas will be cleaned of particulate matter (char) which is recycled back to the gasifier. After particulate removal, the product gas will be cleaned of sulfur prior to burning in a gas turbine. The proposed project includes design and demonstration of two advanced hot gas cleanup processes for removal of sulfur from the product gas of the gasifier. The primary sulfur removal method features a newly developed moving-bed zinc ferrite system downstream of the gasifier. The process data from these pilot tests is expected to be sufficient for the design of a full-scale system to be used in the proposed demonstration. A second complementary process is in situ desulfurization achieved by adding limestone or dolomite directly to the coal feed. The benefit, should such an approach prove viable, is that the downstream cleanup system could be reduced in size. In this plant, the gasifier will …

The Symposium concluded with prepared summaries by four experts in the involved disciplines. These experts made no mention of statistics and/or the statistical content of issues. The first author contributed an extemporaneous statement at the Symposium because there are important issues associated with conducting and evaluating numerical modeling that are familiar to statisticians and often treated successfully by them. This note expands upon these extemporaneous remarks. Statistical ideas may be helpful in resolving some numerical modeling issues. Specifically, we comment first on the role of statistical design/analysis in the quantification process to answer the question ``what do we know about the numerical modeling of underground nuclear tests?`` and second on the peculiar nature of uncertainty analysis for situations involving numerical modeling. The simulations described in the workshop, though associated with topic areas, were basically sets of examples. Each simulation was tuned towards agreeing with either empirical evidence or an expert`s opinion of what empirical evidence would be. While the discussions were reasonable, whether the embellishments were correct or a forced fitting of reality is unclear and illustrates that ``simulation is easy.`` We also suggest that these examples of simulation are typical and the questions concerning the legitimacy and the role …

A theoretical investigation of laminar premixed flame quenching is carried out. Two orientations in which a flame may contact a cold wall are compared and contrasted by solving the conservation equations of mass, energy, and species utilizing a finite difference methodology. A one-step mechanism is used to specify the reaction rates. A simple analytical model, which is in qualitative agreement with the numerical results, is also presented. The results show that the heat transfer histories for one and two dimensional laminar flame quenching are similar.

The Computational Electronics and Electromagnetics thrust area is a focal point for computer modeling activities in electronics and electromagnetics in the Electronics Engineering Department of Lawrence Livermore National Laboratory (LLNL). Traditionally, they have focused their efforts in technical areas of importance to existing and developing LLNL programs, and this continues to form the basis for much of their research. A relatively new and increasingly important emphasis for the thrust area is the formation of partnerships with industry and the application of their simulation technology and expertise to the solution of problems faced by industry. The activities of the thrust area fall into three broad categories: (1) the development of theoretical and computational models of electronic and electromagnetic phenomena, (2) the development of useful and robust software tools based on these models, and (3) the application of these tools to programmatic and industrial problems. In FY-92, they worked on projects in all of the areas outlined above. The object of their work on numerical electromagnetic algorithms continues to be the improvement of time-domain algorithms for electromagnetic simulation on unstructured conforming grids. The thrust area is also investigating various technologies for conforming-grid mesh generation to simplify the application of their advanced field …

The Computational Mechanics thrust area sponsors research into the underlying solid, structural and fluid mechanics and heat transfer necessary for the development of state-of-the-art general purpose computational software. The scale of computational capability spans office workstations, departmental computer servers, and Cray-class supercomputers. The DYNA, NIKE, and TOPAZ codes have achieved world fame through our broad collaborators program, in addition to their strong support of on-going Lawrence Livermore National Laboratory (LLNL) programs. Several technology transfer initiatives have been based on these established codes, teaming LLNL analysts and researchers with counterparts in industry, extending code capability to specific industrial interests of casting, metalforming, and automobile crash dynamics. The next-generation solid/structural mechanics code, ParaDyn, is targeted toward massively parallel computers, which will extend performance from gigaflop to teraflop power. Our work for FY-92 is described in the following eight articles: (1) Solution Strategies: New Approaches for Strongly Nonlinear Quasistatic Problems Using DYNA3D; (2) Enhanced Enforcement of Mechanical Contact: The Method of Augmented Lagrangians; (3) ParaDyn: New Generation Solid/Structural Mechanics Codes for Massively Parallel Processors; (4) Composite Damage Modeling; (5) HYDRA: A Parallel/Vector Flow Solver for Three-Dimensional, Transient, Incompressible Viscous How; (6) Development and Testing of the TRIM3D Radiation Heat Transfer Code; (7) A …

The problem of emittance growth due to random fluctuations of the magnetic field in a hadron collider is considered. The results of computer simulations are compared with the analytical theory developed earlier. A good agreement was found between the analytical theory predictions and the computer simulations for the collider tunes located far enough from high order betatron resonances. The dependencies of the emittance growth rate on noise spectral density, beam separation at the Interaction Point (IP) and value of beam separation at long range collisions are studied. The results are applicable to the Superconducting Super Collider (SSC).

The effectiveness of Newton`s method for finding an unconstrained minimizer of a strictly convex twice continuously differentiable function has prompted the proposal of various modified Newton inetliods for the nonconvex case. Linesearch modified Newton methods utilize a linear combination of a descent direction and a direction of negative curvature. If these directions are sufficient in a certain sense, and a suitable linesearch is used, the resulting method will generate limit points that satisfy the second-order necessary conditions for optimality. We propose an efficient method for computing a descent direction and a direction of negative curvature that is based on a partial Cholesky factorization of the Hessian. This factorization not only gives theoretically satisfactory directions, but also requires only a partial pivoting strategy, i.e., the equivalent of only two rows of the Schur complement need be examined at each step.

The effectiveness of Newton's method for finding an unconstrained minimizer of a strictly convex twice continuously differentiable function has prompted the proposal of various modified Newton inetliods for the nonconvex case. Linesearch modified Newton methods utilize a linear combination of a descent direction and a direction of negative curvature. If these directions are sufficient in a certain sense, and a suitable linesearch is used, the resulting method will generate limit points that satisfy the second-order necessary conditions for optimality. We propose an efficient method for computing a descent direction and a direction of negative curvature that is based on a partial Cholesky factorization of the Hessian. This factorization not only gives theoretically satisfactory directions, but also requires only a partial pivoting strategy, i.e., the equivalent of only two rows of the Schur complement need be examined at each step.

The Inter-Building Fuel Transfer Cask, referred to as the IBC, is a lead shielded cask for transporting subassemblies between buildings on the Argonne National Laboratory-West site near Idaho Falls, Idaho. The cask transports both newly fabricated and spent reactor subassemblies between the Experimental Breeder Reactor-II (EBR-II), the Fuel Cycle Facility (FCF) and the Hot Fuel Examination Facility (HFEF). The IBC will play a key role in the Integral Fast Reactor (IFR) fuel recycling demonstration project. This report discusses a conceptual redesign of the IBC which has been performed. The objective of the conceptual design was to increase the passive heat removal capabilities, reduce the personnel radiation exposure and incorporate enhanced safety features into the design. The heat transfer, radiation and thermal-hydraulic properties of the IBC were analytically modelled to determine the principal factors controlling the desip. The scoping studies that were performed determined the vital physical characteristics (i.e., size, shielding, pumps, etc.) of the MC conceptual design.

The Defense Waste Processing Facility (DWPF) precipitate hydrolysis process requires the use of copper formate catalyst. The expected absorbed radiation doses to the precipitate require levels of copper formate that increase the potential for the precipitation of metallic copper in the DWPF Melter. The conditions required to avoid the precipitation of copper are described.

Iron aluminides are being developed for use as structural materials and/or cladding alloys in fossil energy systems. Extensive development has been in progress on Fe{sub 3}Al-based alloys to improve the engineering ductility of these alloys. This paper describes results from the ongoing program to evaluate the corrosion performance of these alloys. The experimental program at Argonne National Laboratory involvesthermogravimetric analyses of alloys exposed to environments that simulate coal gasification and fluidized-bed combustion. Experiments were conducted at 650--1000{degrees}C in simulated oxygen/sulfur gas mixtures. In addition, oxidation/sulfidation behavior of several alumina-forming Fe-Al and Fe-Cr-Ni-Al alloys was determined for comparison with the corrosion rates obtained on iron aluminides. Other aspects of the program are corrosion evaluation of the aluminides in the presence of HC1-containing gases and in the presence of slag from a slogging gasifier. Results are used to establish threshold Al levels in the alloys for development of protective alumina scales. Thermal cycling tests are used to examine the spalling resistance of the scales.

Iron aluminides are being developed for use as structural materials and/or cladding alloys in fossil energy systems. Extensive development has been in progress on Fe[sub 3]Al-based alloys to improve the engineering ductility of these alloys. This paper describes results from the ongoing program to evaluate the corrosion performance of these alloys. The experimental program at Argonne National Laboratory involvesthermogravimetric analyses of alloys exposed to environments that simulate coal gasification and fluidized-bed combustion. Experiments were conducted at 650--1000[degrees]C in simulated oxygen/sulfur gas mixtures. In addition, oxidation/sulfidation behavior of several alumina-forming Fe-Al and Fe-Cr-Ni-Al alloys was determined for comparison with the corrosion rates obtained on iron aluminides. Other aspects of the program are corrosion evaluation of the aluminides in the presence of HC1-containing gases and in the presence of slag from a slogging gasifier. Results are used to establish threshold Al levels in the alloys for development of protective alumina scales. Thermal cycling tests are used to examine the spalling resistance of the scales.

New models of the dynamic patterns of carbon uptake by forest ecosystems allow improvements in the estimation of the costs of carbon sequestration in the US. The preliminary results of an effort to update an earlier study indicate that conversion of environmentally sensitive and economically marginal cropland and pastureland in the US could offset as much as 25% of current US emissions at costs of $US 8--60 per short ton.

Momentum distributions for the {sup 11}Li {yields} {sup 9}Li+n+n breakup reaction, generated by Coulomb dipole excitations, axe calculated in a 3-body model for {sup 11}Li. The relative momentum distribution of the two neutrons is in good agreement with recent 3-body coincidence measurements but the momentum distribution for the {sup 9}Li recoil and the decay energy spectrum are much narrower than observed. These discrepancies may be due to higher order dynamical effects which have been ignored.

For several years criticality benchmark calculations with COG. COG is a point-wise Monte Carlo code developed at Lawrence Livermore National Laboratory (LLNL). It solves the Boltzmann equation for the transport of neutrons and photons. The principle consideration in developing COG was that the resulting calculation would be as accurate as the point-wise cross-sectional data, since no physics computational approximations were used. The objective of this paper is to report on COG results for criticality benchmark experiments in concert with MCNP comparisons which are resulting in corrections an upgrades to the point-wise ENDL cross-section data libraries. Benchmarking discrepancies reported here indicated difficulties in the Evaluated Nuclear Data Livermore (ENDL) cross-sections for U-238 at thermal neutron energy levels. This led to a re-evaluation and selection of the appropriate cross-section values from several cross-section sets available (ENDL, ENDF/B-V). Further cross-section upgrades anticipated.

A country with the goal of developing nuclear weapons could pursue their ambition in several ways. These could range from the purchase or theft of a weapon or of the principal weapons components to a basic development program which may independently produce all the materials and components which are necessary. If the latter approach were pursued, there would be many signatures of such an effort and the more definitive of these include the actual materials which would be produced in each phase of the fuel cycle/weapons production process. By identifying the more definitive signatures and employing appropriate environmental sampling and analysis techniques for their observation, including imaging procedures, it should be possible to detect nuclear proliferation processes. Possible proliferation processes include: uranium acquisition through fuel fabrication; uranium enrichment for weapons production; reactor operation for plutonium production; fuel reprocessing for plutonium extraction; weapons fabrication; and uranium 233 production. Each of these are briefly discussed. The technologies for the detection of proliferation signatures which are in concept or research and development phase are: whole air beta counter; radiokrypton/xenon separator/analyzer; I-129 detector; isotope analyzer; deuterium/tritium analysis by IR/Raman spectroscopy and scintillation counting; noble gas daughter analysis; and airborne radionuclide collector/analyzer.

This report outlines the types of data, data sources and measurement tools required for effective reservoir characterization, the data required for specific enhanced oil recovery (EOR) processes, and a discussion on the determination of the optimum data density for reservoir characterization and reservoir modeling. The two basic sources of data for reservoir characterization are data from the specific reservoir and data from analog reservoirs, outcrops, and modern environments. Reservoir data can be divided into three broad categories: (1) rock properties (the container) and (2) fluid properties (the contents) and (3)interaction between reservoir rock and fluid. Both static and dynamic measurements are required.

This report outlines the types of data, data sources and measurement tools required for effective reservoir characterization, the data required for specific enhanced oil recovery (EOR) processes, and a discussion on the determination of the optimum data density for reservoir characterization and reservoir modeling. The two basic sources of data for reservoir characterization are data from the specific reservoir and data from analog reservoirs, outcrops, and modern environments. Reservoir data can be divided into three broad categories: (1) rock properties (the container) and (2) fluid properties (the contents) and (3)interaction between reservoir rock and fluid. Both static and dynamic measurements are required.

This paper presents results of the radioactive demonstration of the Precipitate Hydrolysis Process (PHP) that will be performed in the Defense Waste Processing Facility (DWPF) at the Savannah River Site. The PHP destroys the tetraphenylborate precipitate that is used at SRS to isolate Cs-137 from caustic High-Level Waste (HLW) supernates. This process is necessary to decrease the amount of organic compounds going to the melter in the DWPF. Actual radioactive precipitate containing Cs-137 was used for this demonstration.

Degenerate four-wave mixing (DFWM) has been found suitable for in situ monitoring during plasma-enhanced chemical vapor deposition. DFWM has been used to monitor CH and C{sub 2} during synthesis of diamond thin films. Analysis of CH rotational and vibrational spectra confirmed the temperature trend predicted by the 1-D model. For substrate temperature 1200 K and free-stream temperatures of 3500 and 4300 K, the 1-D simulations predicted boundary layer thicknesses consistent with observations. The species concentration change across the boundary layer is dramatic; at 2 mm from the surface, both CH and C{sub 2} reach maximum concentration. It has been demonstrated that, using a conventional laser system, operating at visible wavelengths (low energies), DFWM is nonintrusive and can generate signals that are easily monitored.

The densities, viscosities, and boiling points (at barometric pressure) of solutions formed by inorganic salts dissolved in an ammonia/water (NH{sub 3}/H{sub 2}O) solvent have been measured. These ternary solutions of ammonia/water/dissolved salt are being investigated to reduce rectification requirements and to expand the temperature range of ammonia/water in advanced absorption cycles. Densities and viscosities of these fluids were measured over the temperature range of 283.15 to 343.15 K (10.0 to 70.0{degrees}C). Observed densities and viscosities were expressed as empirical functions of temperature by means of the least-squares method. The dynamic viscosities of ternary fluids were found to be three to seven times greater than those of the binary system of NH{sub 3}/H{sub 2}O, which implies that a substantial decrease in the film heat and mass transfer coefficient is possible. However, because this quantitative linkage is not well understood, direct measurements of heat and mass transfer rates in a minisorber are recommended and planned.

The Environmental Science Group at Los Alamos and the Test and Evaluation Command (TECOM) are assessing the risk of depleted uranium (DU) testing at Aberdeen Proving Ground (APG). Conceptual and mathematical models of DU transfer through the APG ecosystem have been developed in order to show the mechanisms by which DU migrates or remains unavailable to different flora and fauna and to humans. The models incorporate actual rates of DU transfer between different ecosystem components as much as possible. Availability of data on DU transport through different pathways is scarce and constrains some of the transfer rates that can be used. Estimates of transfer rates were derived from literature sources and used in the mass-transfer models when actual transfer rates were unavailable. Objectives for this risk assessment are (1) to assess if DU transports away from impact areas; (2) to estimate how much, if any, DU migrates into Chesapeake Bay; (3) to determine if there are appreciable risks to the ecosystems due to DU testing; (4) to estimate the risk to human health as a result of DU testing.

A low jitter metal to metal contact solid dielectric switch was designed and tested. A metal to metal contact solid dielectric switch with a jitter of less than 25 ns is required for the 150 kJ experiment. Since this is one fourth the 100 ns jitter reported using exploding bridge foil (EBF) triggers, experiments to optimize this trigger were performed. A jitter of 25 ns was achieved using the EBF trigger and it was also achieved using a new type of trigger called the magnetic push trigger. This trigger uses the magnetic force between the two plates of a parallel plate transmission line to push the dielectric. It was found to be better than the EBF trigger because it was easier to design, easier to implement and did less damage to switch components.

A new diagnostic method for measuring transverse size of electron beam by nondestructive interaction of Compton scattering of laser beam has been proposed. A first model of this spot size monitor is under construction for the FFTB -- SLAC experiment, in order to measure the electron beam size of 60 nanometer vertical by 1 micrometer horizontal, using Nd: YAG-laser of 1.064 {mu}m wavelength. In this paper, the design of the system, and essential and practical engineering problems are discussed.