The Institutional Research and Development program at Lawrence Livermore National Laboratory fosters exploratory work to advance science and technology, disciplinary research to develop innovative solutions to problems in various scientific fields, and long-term interdisciplinary research in support of defense and energy missions. This annual report describes research funded under this program for FY87. (DWL)

Recent progress in the theoretical study of alignment and orientation in atom-atom and ion-atom collisions at intermediate energies is reviewed. Recent systematic studies of the alignment and orientation of electronic charge cloud distributions of excited states resulting from such collisions clearly have provided more detailed information about the underlying collision dynamics. However, since accurate determination of these parameters is quite difficult, both theoretically and experimentally, a close collaboration between theory and experiment is necessary for a deeper understanding of the collision dynamics. A more complete approach, where the full density matrix is determined, is also discussed.

The objective of this contract is to develop a consistent technical data base on the use of iron-based catalysts in Fischer-Tropsch (FT) synthesis reactions. This data base will be developed to allow the unambiguous comparison of the performance of these catalysts with each other and with state-of-the-art iron catalyst compositions. Particular attention will be devoted to generating reproducible kinetic and selectivity data and to developing reproducible improved catalyst compositions.

We consider a single-pass free-electron laser (FEL) amplifier, driven by an rf-linac followed by a damping ring for reduced emittance, for use in generating coherent light in the soft x-ray region. The dependence of the optical gain on electron-beam quality, studied with the three-dimensional FEL simulation code FELEX, is given and related to the expected power of self-amplified spontaneous emission. We discuss issues for the damping ring designed to achieve the required electron beam quality. The idea of a multipass regenerative amplifier is also presented. 6 refs., 3 tabs.

Plutonium and americium can be recovered from aqueous waste solutions containing a mixture of HCl and chloride salt wastes by the coupling of two solvent extraction systems: tributyl phosphate (TBP) in tetrachloroethylene (TCE) and octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide (CMPO) in TCE. In the flowsheet developed, the salt wastes are dissolved in HCl, the Pu(III) is oxidized to the IV state with NaClO/sub 2/ and recovered in the TBP-TCE cycle, and the Am is then removed from the resultant raffinate by the CMPO-TCE cycle. The consequences of the feed solution composition and extraction behavior of these species on the process flowsheet design, the Pu-product purity, and the decontamination of the aqueous raffinate from transuranic elements are discussed. 16 refs., 6 figs.

Transverse energy (E/sub t/) distributions and P/sub t/ spectra of negative particles and photons measured by the HELIOS experiment in 200 GeVN and 60 GeVN oxygen-nucleus reactions are presented. The E/sub t/ distributions are compared to a geometrical parametrization and a Montereverse arrowCarlo calculation, particle spectra to the proton-nucleus reaction case. The comparisons show that yet the results can be understood without assuming quark-gluon plasma formation. A discussion is made based on these comparisons together with an estimate of the energy density of the reaction, attempting to know how close we are to the detection of a phase transition of nuclear matter. 21 refs., 15 figs.

Since our first article on the Japanese supercomputers appeared in the December 1985 issue of Computer, we have conducted additional benchmarks of the new NEC SX-2 vector processor. We present these new results for the SX-2 and updated timings of the X-MP/48. 5 refs., 1 fig., 6 tabs.

This paper briefly discusses the pressure-volume properties of condensed neon. X-ray diffraction techniques are used to determine solid neon equation of state and crystal structure. 16 refs., 2 figs. (LSP)

Electrical energy consumption data have been recorded for several hundred submetered residential structures in Middle Tennessee. All houses were constructed with a common energy package.'' Specifically, daily cooling usage data have been collected for 130 houses for the 1985 and 1986 cooling seasons, and monthly heating usage data for 186 houses have been recorded by occupant participation over a seven-year period. Cooling data have been analyzed using an SPSSx multiple regression analysis and results are compared to several cooling models. Heating, base, and total energy usage are also analyzed and regression correlation coefficients are determined as a function of several house parameters.

The nuclides and the heavy-nuclei ''tracks'' made by the interactions of solar and galactic cosmic-ray particles with meteorites, lunar samples, and the Earth have been extensively studied, simulated, and modelled. Most research involves the use of these cosmogenic products to study the history of the ''targets'' or of the cosmic rays. However, much work has also been done in understanding these interactions and in predicting their rates as a function of the target's size and shape and of the location inside the target. These studies apply to any object exposed to cosmic rays. The fluxes as a function of depth for cosmic-ray primary and secondary particles vary greatly with particle energy and type. The variations of the fluxes of these cosmic rays in the past have been studied. Energetic solar particles are unpredictable and are the greatest potential radiation hazard in space. 11 refs., 1 fig.

The theoretical and experimental status of the search for gluonic states is reviewed. Progress clearly requires much higher statistics studies of J//psi/ decay, as will be possible at the Beijing Electron Positron Collider. 83 refs.

/rho//perpendicular/ spectra of negative particles were measured for p/minus/W and /sup 16/O/minus/W collisions at 200 GeVupsilon in the rapidity range 0.9< y <1.9. Within the systematic errors of 20% the spectra are indentical in the range 0.05 </rho//perpendicular/<2.0 GeVc. The p/minus/W and /sup 16/O /minus/W spectra exhibit an exponential shape for /rho//perpendicular/>250 MeVc. This is consistent with previous p/minus/A data, but there is a significant excess above this exponential at lower /rho//perpendicular/. Photon spectra were measured using a conversion method. Their /rho//perpendicular/ distribution agrees in shape with the sum of known hadronic ..gamma..-sources.

Under a previous contract with Morgantown Energy Technology Center (METC), Department of Energy (DOE) Contract No. AC21-84MC21108, UCC Research Corporation (UCCRC) built and tested a 1500 lb/day Mild Gasification Process Development Unit (MGU). The MGU, as tested under the previous contract, is shown in Figure 1. Testing completed under the previous contract showed that good quality hydrocarbon liquids and good quality char can be produced in the MGU. However, the MGU is not optimized. The primary objectives of the current project are to optimize the MGU and determine the suitability of char for several commercial applications. The program consists of four tasks; Task 1 -- Test Plan; Task 2 -- Optimization of Mild Gasification Process; Task 3 -- Evaluation of Char and Char/Coal Blends as a Boiler/Blast Furnace Fuel; and Task 4 -- Analysis of Data and Preparation of Final Report. Task 1 has been completed while work continued on Task 2.

The objective of this study is to determine the optimum electrolyte composition for molten carbonate fuel cells. To accomplish this, the contractor will provide: (1) Comprehensive reports of on-going efforts to optimize carbonate composition. (2) A list of characteristics affected by electrolyte composition variations (e.g. ionic conductivity, vapor pressure, melting range, gas solubility, exchange current densities on NiO, corrosion and cathode dissolution effects). (3) Assessment of the overall effects that these characteristics have state-of-the-art cell voltage and lifetime.

The development of knowledge on the structure of hemopoiesis and its regulation can be divided into four broad areas: descriptive morphology, kinetics of cell proliferation, regulation of rates of cell proliferation through interaction of molecular regulators and their cell surface receptors, and clinical applications. 60 refs., 6 figs.

After the TMI (Three Mile Island) accident, there has been significant interest in analyzing and understanding the phenomena that may occur in a PWR (Pressurized Water Reactor) accident which may lead to partial or total core meltdown and degradation. Natural convection is one of the important phenomena. In the present paper the results of two numerical simulations of (1) four-loop PWR and (2) three-loop PWR are presented. The simulations were performed with the COMMIX(2) computer code. Our analysis shows that in severe accident scenarios, natural convection phenomena does occur and that it helps to delay core degradation by transferring decay heat from the reactor core to other internal structures of the reactor system. The amount of heat transfer and delay in core degradation depends on the geometry and internal structures of the system and on the events of an accident.

Although background levels of atmospheric electric and geomagnetic field levels are extremely low, over the past several decades, human beings and other life forms on this planet have been subjected to a dramatically changing electromagnetic milieu. An exponential increase in exposure to electromagnetic fields has occurred, largely because of such technological advances as the growth of electrical power generation and transmission systems, the increased use of wireless communications, and the use of radar. In addition, electromagnetic field generating devices have proliferated in industrial plants, office buildings, homes, public transportation systems, and elsewhere. Although significant increases have occurred in electromagnetic field strenghths spanning all frequency ranges, this symposium addresses only the impact of these fields at static and extremely low frequencies (ELF), primarily 50 and 60 Hz. This volume contains the proceedings of the symposium entitled /open quotes/Interaction of biological systems with static and ELF electric and magnetic fields/close quotes/. The purpose of the symposium was to provide a forum for discussions of all aspects of research on the interaction of static and ELF electromagnetic fields with biological systems. These systems include simple biophysical models, cell and organ preparations, whole animals, and man. Dosimetry, exposure system design, and artifacts in ELF …

The MARK II detector is used to study the Bose-Einstein correlation between pairs and triplets of charged pions produced in hadronic decays of the J)psi), the ..sqrt..s = 4 to 7 GeV continuum above the J)psi), two photon events at ..sqrt..s = 29 GeV, and e/sup )plus/)e/sup )minus/) annihilation events at ..sqrt..s = 29 GeV as a function of Q/sup 2/, the four-momentum transfer squared. After corrections for Coulomb effects and pion misidentification, we find a nearly full Bose-Einstein enhancement ..cap alpha.. in the J)psi) and the two photon data and about half the maximum value in the other two data sets. The radius parameter )tau)(an average over space and time) given by pion pair analyses lies within a band of +-0.10 fm around 0.73 fm and is the same, within errors, for all four data sets. Pion triplet analyses also give a consistent radius of approx. 0.54 fm. fits to two-dimensional distributions R(q/sub T//sup 2/, q/sub C//sup 2/) of invariant components of Q/sup 2/ = q/sub T//sup 2/ )plus) q/sub C//sup 2/ give )tau)/sub T/ approx. )tau)C approx. )tau), where q/sub T/ is the transverse three-momentum difference calculated with respect to the net pair three-momentum, and q/sub C/ is …

This paper reports the results of a study to determine the degrading effects of flowing dye solvents on the laser damage threshold of fused-silica windows at 308nm. Thresholds were measured at the SiO/sub 2/solvent interface in a test cell. Bare SiO/sub 2/ tested in air at 308nm (20ns) typically exhibits a threshold ranging from 4 to 10 Jcm/sup 2/; with the solvent cyclohexane in contact, a threshold as low as 0.3 Jcm/sup 2/ was measured. The damage data indicate that window lifetime (number of shots) is dependent of fluence at higher levels, and asymptotically approaches infinity at levels near threshold. Dielectric coatings were tested as possible damage-resistent barriers between the solvent and SiO/sub 2/; the results show some improvement in damage threshold. When cyclohexane is replaced with the solvent dioxane, thresholds measured for SiO/sub 2/ windows are within the range cited above for thresholds measured in air.

LATTICE is a computer program that calculates the first order characteristics of synchrotrons and beam transport systems. The program uses matrix algebra to calculate the propagation of the betatron (Twiss) parameters along a beam line. The program draws on ideas from several older programs, notably Transport and Synch, adds many new ones and incorporates them into an interactive, user-friendly program. LATTICE will calculate the matched functions of a synchrotron lattice and display them in a number of ways, including a high resolution Tektronix graphics display. An optimizer is included to adjust selected element parameters so the beam meets a set of constraints. LATTICE is a first order program, but the effect of sextupoles on the chromaticity of a synchrotron lattice is included, and the optimizer will set the sextupole strengths for zero chromaticity. The program will also calculate the characteristics of beam transport systems. In this mode, the beam parameters, defined at the start of the transport line, are propagated through to the end. LATTICE has two distinct modes: the lattice mode which finds the matched functions of a synchrotron, and the transport mode which propagates a predefined beam through a beam line. However, each mode can be used for …

During this quarter, work continued on the development of high-flux palladium-silver membranes for the separation of hydrogen from carbon dioxide. Palladium-silver/poly(etherimide) composite membranes were prepared by a vacuum sputtering technique. The influence of different poly(etherimide) support membranes on the performance of palladium-silver membranes was investigated. All membranes tested showed a hydrogen/carbon dioxide selectivity lower than that of the uncoated poly(etherimide)/poly(dimethylsiloxane) membranes. This is probably due to damage of the skin layer of the asymmetric poly(etherimide) support membranes during the palladium-silver electron bombardment. Polysulfone/poly(dimethylsiloxane)/poly(ether-ester-amide) composite membranes were also prepared. Membrane samples consistently showed a carbon dioxide/hydrogen selectivity of 9 to 10 and a normalized carbon dioxide flux of 2 to 4 {times} 10{sup {minus}4} cm{sup 3} (STP)/cm{sup 2}{center dot}sec{center dot}cmHg. These are extremely good values, superior to any commercially available membranes for this separation. 2 figs., 4 tabs.

This paper describes a model for evaluating the late (after-the-fact) detection capability of material control and accountability (MCandA) systems against insider theft or diversion of special nuclear material. Potential insider cover-up strategies to defeat activities providing detection (e.g., inventories) are addressed by the model in a tractable manner. For each potential adversary and detection activity, two probabilities are assessed and used to fit the model. The model then computes the probability of detection for activities occurring periodically over time. The model provides insight into MCandA effectiveness and helps identify areas for safeguards improvement. 4 refs., 4 tabs.

The most urgent public health problem today is to devise effective strategies to minimize the destruction caused by the AIDS epidemic. This complex problem will involve medical advances and new public health and education initiatives. Mathematical models based on the underlying transmission mechanisms of the AIDS virus can help the medical/scientific community understand and anticipate its spread in different populations and evaluate the potential effectiveness of different approaches for bringing the epidemic under control. Before we can use models to predict the future, we must carefully test them against the past spread of the infection and for sensitivity to parameter changes. The long and extremely variable incubation period and the low probability of transmitting the AIDS virus in a single contact imply that population structure and variations in infectivity both play an important role in its spread. This structure occurs because of differences between people in numbers of sexual partners and the use of intravenous drugs and because of the way in which people mix among age, ethnic, and social groups. We use a simplified approach to investigate the effects of variation in incubation periods and infectivity specific to the AIDS virus and we compare a model of random partner …

We look briefly at the requirements for particle identification for possible beauty experiments at the Tevatron, both in the fixed target and the collider mode. Techniques presently in use in high energy physics experiments, and under development, should make sensitive experiments feasible. However, in all cases the present state of the art must be advanced to meet the necessary requirements for segmentation andor rate capability. The most fundamentally difficult challenges appear to be the efficient tagging of soft electrons (for the collider experiment) and the need to handle interaction rates up to /approximately/ 10/sub 9/ HZ in the fixed target mode. In both cases we can find ''in principle'' demonstrations that the requirements can be met. We have considered only the most basic prooperties of detectors, however, and the real answers will come from careful studies of details. 20 refs., 10 figs.