classical many body models supplemented by repulsive momentum-dependent potentials to simulate the Pauli and Heisenberg principles have been use with some success for nuclear and atomic bound state and collision problems. They are capable of describing mean ground state properties, hydrodynamics, shocks (if warranted by the physics), viscosity, correlations, clustering, fragmentation, etc. We have become interested in the Feldmeier Gaussian packet formulation since it is based on a variational principle using trial wave functions. We discuss some limitations of the model and discuss further directions of investigation.

The environmental-remediation efforts at DOE complexes require characterizing problems at each site before cleanup action. Characterization will require the chemical analysis of millions of samples at a significant cost. Automation of the required chemical analyses methods provides a cost-effective solution. An object-oriented approach was deemed necessary to allow for modularization, maintainability, reusability, and flexibility of the software and hardware. Each chemical analysis method is implemented as a Standard Analysis Method or SAM. A SAM is, in essence, a black box'' into which a sample enters at one end and chemical or physical information exits'' at the other. 7 refs., 6 figs.

The atomic structures of the nonlinear optical materials potassium titanyl phosphate (KTiOPO{sub 4}, or KTP) and potassium titanyl arsenate (KTiOAsO{sub 4}) feature one-dimensional channels through which the potassium ions are relatively free to migrate. Ion exchange results when these materials are immersed in molten salts containing alkali metal ions. Sodium, lithium and silver all exchange readily for K{sup +} single crystals of both KTP and KTA to yield the exchanged derivatives Na{sub .95}K{sub .05}TiOPO{sub 4} (NaTP), Na{sub .83}K{sub .17}TiOAsO{sub 4} (NaTA), Ag{sub .85}K{sub .15}TiOPO{sub 4} (AgTP), Ag{sub .98}K{sub .02}TiOAsO{sub 4} (AgTA), Li{sub .45}K{sub .55}TiOPO{sub 4} (KLTP), and Li{sub .46}K{sub .54}TiOAsO{sub 4} (KLTA), which are all KTP isostructures. The optical nonlinearities (measured as SHG intensities) of the limiting compositions in the NaTA, KLTP, and KLTA systems are similar to that of KTP, but are much smaller in NaTP, AgTP and AgTA. Single crystal X-ray data have revealed differences in coordination of the mobile cations to oxygen atoms linking the TiO{sub 6} groups in these compounds, and these differences correlate with changes in optical nonlinearity. The observed nonlinearities can be rationalized if they are viewed as being dependent on the degree to which delocalized charge-transfer excited state character can be mixed into …

As of April 19, 1991, technical, operational and analytic support and assistance to the offices and divisions of the Office of Renewable Energy, under contract DE-AC01-86CE30844 was completed. The overall work effort, initiated February 20, 1986, was characterized by timely, comprehensive, high quality, professional responsiveness to a broad range of renewable energy program operational support requirements. These are no instances of failure to respond, nor unacceptable response, during the five-year period. The technology program areas covered are Solar Buildings Technology, Wind Energy Technology, Photovoltaic Energy Technology, Geothermal Energy Technology, Biofuels and Municipal Waste Technology, Solar Thermal Technology, Hydropower Energy Technology, Ocean Energy Technology, and Electric Energy Systems and Energy Storage. The analytical and managerial support provided to the office and staff of the Deputy Assistant Secretary for Renewable Energy enabled a comprehensive evaluation of program and policy alternatives, and the selection and execution of appropriate courses of action from amongst those alternatives. Largely through these means the Office has been able to maintain continuity and a meaningful program thrust through the vacillations of policies and budgets that it has experienced over that it has experienced over the past five years. Appended are summaries of support activities within each of the …

The International Thermonuclear Experimental Reactor (ITER) baseline machine configuration and auxiliary systems design specify maintainability and repairability as fundamental requirements. Two important maintenance requirements for ITER are a device that is fully remotely maintainable, with the provision for hands-on maintenance wherever possible, and the ability to maintain components with short lives or high failure rates without moving other components or disturbing the machine's internal or external environment. Some of the maintenance tasks are accomplished through the use of specialized remote maintenance equipment that will perform crucial in-vessel and ex-vessel operations. In-vessel maintenance will be performed with a combination of horizontal and vertical access. Since the completion of the Conceptual Design Activity (CDA), systems studies by the US ITER design team have pointed to the possible benefits of a high aspect ratio design (HARD). The alternative HARD has been shown to have better performance characteristics than the present baseline. The HARD machine configuration modified in size a number of major components that must be remotely maintained or replaced. This required reevaluation of the maintenance scenarios of these components with respect to changes in physical accessibility, assembly and disassembly, and remote maintenance equipment. The CDA baseline design and HARD are compared from …

The objective of this program is to investigate the direct conversion of light gaseous hydrocarbons, such as those produced during Fischer-Tropsch synthesis or as a product of gasification, to liquid transportation fuels via a partial oxidation process. The process will be tested in an existing pilot plant to obtain credible mass balances. Specific objectives to be met include determination of optimal process conditions, investigation of various processing options (e.g. feed injection, product quench, and recycle systems), and evaluation of an enhanced yield thermal/catalytic system. Economic evaluation of the various options will be performed as experimental data become available.

Techniques for the probing of isolated metal cluster structure through adsorbate binding patterns will be described. The saturation of clusters with reagents such as ammonia and nitrogen provides information on the number of preferred binding sites for these reagents. The dependence of this number on cluster size can suggest particular structural themes. The equilibrium reaction with water can be used to identify cluster sizes having especially enhanced binding for the water molecule. Again, the sequence of cluster sizes showing such enhancement can point to specific cluster structure. The reaction with oxygen can identify cluster sizes having particularly high ionization potentials, and these can be compared to simple models for the electronic structure of metal clusters. Representative applications of these probes to iron, cobalt, nickel, and copper clusters will be discussed. 5 figs.

The 'Fresh Bunch' technique is being proposed as a method of increasing the gain and power of FEL amplifiers in which the length of the optical radiation pulse is shorter than the length of the electron bunch. In multi-stage FEL, electron beam energy spread is increased by the FEL interaction in the early stages. In the 'Fresh Bunch' technique, the low energy spread of the electron beam is recovered by shifting the radiation pulse to an undisturbed part of the electron bunch, thus improving the gain and trapping fraction in later stages. A test case for the application of the Fresh Bunch method is demonstrated by numerical simulation. In this particular example we examine a subharmonically seeded VUV Free-Electron Laser. We begin with the generation of harmonic radiation, which takes place over one part of the electron bunch. Then the radiation is shifted by means of a strong dispersive section to a fresh part of the bunch for exponential amplification and tapered wiggler amplification. By starting over with a new ensemble of electrons, the energy spread introduced by the bunching in the fundamental is removed, leading to an increased gain. Furthermore, it is possible to use a much stronger seed …

We identify and discuss three domains where we believe that innovative application of visual programming languages is likely to make a significant impact in the near term: concurrent computing, computer-based assistance for people with disabilities, and the multimedia/multimodal environments of tomorrow in which it will be possible to hear and physically interact with information as well as see it. 33 refs., 3 figs.

The SOLID computer model was developed for calculating the effective dose equivalent from external exposure to distributed gamma sources in soil. It is designed to assess external doses under various exposure scenarios that may be encountered in environmental restoration programs. The models four major functional features address (1) dose versus source depth in soil, (2) shielding of clean cover soil, (3) area of contamination, and (4) nonuniform distribution of sources. The model is also capable of adjusting doses when there are variations in soil densities for both source and cover soils. The model is supported by a data base of approximately 500 radionuclides. 4 refs.

Resonant ultrasound spectroscopy is used to measure the temperature dependence of all six elastic moduli of La{sub 2-x}Sr{sub x}CuO{sub 4}. A giant softening (> 50% reduction) in the in-plane shear modulus, c{sub 66}, is observed and is attributed to the tetragonal-orthorhombic structural phase transition in this material. This phase transition and the corresponding softening is examined with a simple anharmonic mechanical model and a macroscopic Ginsburg-Landau formalism exploiting the full symmetry of the crystal. 16 refs., 5 figs.

Magnetic field measurements have been made on twelve 17 m-long, 40 mm-aperture R D superconducting dipoles. Data on dipole field strength, multipole coefficients, and alignment have been obtained. The data indicate that the magnets as built are generally within the expectations for this design. 7 refs., 5 figs.

Conventional soldering of electronic components generally requires the application of a chemical flux to promote solder wetting and flow. Chlorofluorocarbons (CFC) and halogenated solvents are normally used to remove the resulting flux residues. While such practice has been routinely accepted throughout the electronics industry, the environmental impact of hazardous solvents on ozone depletion will eventually limit or prevent their use. Solvent substitution or alternative technologies must be developed to meet these goals. Sandia National Laboratories, Albuquerque has a comprehensive environmentally conscious electronics manufacturing program underway that is funded by the DOE Office of Technology Development. Primary elements of the integrated task are the characterization and development of alternative fluxless soldering technologies that would eliminate circuit board cleaning associated with flux residue removal. Storage and handling of hazardous solvents and mixed solvent-flux waste would be consequently reduced during electronics soldering. This paper will report on the progress of the SNL fluxless soldering initiative. Emphasis is placed on the use of controlled atmospheres, laser heating, and ultrasonic soldering.

The results of high-temperature creep of various ceramic composites will be reviewed. In particular, creep results for Al{sub 2}O{sub 3} and Si{sub 3}N{sub 4} matrices reinforced with SiC whiskers will be emphasized. For a given temperature, stress and grain size, the creep rate of the Al{sub 2}O{sub 3} composite is usually lower than that of the ceramic matrix. In general, creep at low stresses occurs by grain boundary sliding accommodated by diffusion, whereas higher stresses lead to damage accumulation processes which are manifested by triple point cavitation and cracking. The quasi-steady-state creep rates depend on grain size, whisker concentration, and the amount of glass phase present between the boundary of the whisker and the matrix. Unless all of the parameters are known, including the fabrication and loading histories, comparisons between various studies that used samples prepared in different ways are difficult. 44 refs., 7 figs., 2 tabs.

The mechanical resonances of small oriented single crystals of materials of interest to basic science and engineering can be used to determine all the elastic moduli and the ultrasonic attenuation of these materials. To measure the resonances of the samples without introducing the resonances of the measuring system requires that the transducers be non-resonant at the frequencies of interest, and that they be well isolated from their mounts. However, for samples near 1 mm in the largest dimension, the transducer design problem becomes sever, and the signals become weak. In addition, no resonances can be missed, and, often, the symmetry class of the resonances must be known. We outline here appropriate transducer, electronics, and system designs to circumvent these problems. 10 refs., 4 figs.

Weld hot cracking of stainless steels is a major materials-related problem in the welding industry. This present investigation evaluates the crack susceptibility of highly-constrained EB welds made in materials whose DeLong ferrite potentials range from zero to nine FN. In addition, the effect of piece part strength level on cracking is examined. This study has revealed that these deep penetration EB welds have regions that solidify as primary austenite, even when the DeLong ferrite potential is as high as 9 FN. This points out the critical role that solidification rate plays in the crack susceptibility of these highly restrained welds. In addition, 0 FN to 0 FN welds had primarily transverse cracks while 6 FN to 0 FN welds had primarily centerline cracks. Of particular interest is the observation that cracks still occur if a high ferrite (greater than 6 FN) component is welded to a zero FN component. Cracking is always associated with regions which solidify as primary austenite and these cracks occur because there are areas in the weld which do not mix. Thus it is not a recommended production practice to compensate for low ferrite in one piece part with high ferrite in its mate. Finally, it …

Several Los Alamos National Laboratory (LANL) object-oriented discrete-event simulation efforts have been completed during the past three years. One of these systems has been put into production and has a growing customer base. Another (started two years earlier than the first project) was completed but has not yet been used. This paper will describe these simulation projects. Factors which were pertinent to the success of the one project, and to the failure of the second project will be discussed (success will be measured as the extent to which the simulation model was used as originally intended). 5 figs.

As we approach the 21st century, sentiments run high in the US for improved air quality in our cities and for a more secure energy future, hopefully to be manifest in lesser dependence on foreign supplies of oil. These sentiments are reflected in intense political activity on both the federal and state levels to enact legislation that will help alleviate both problems. At the same time though, the recent emergence of awareness of a threat of global warming due to ever increasing emissions of greenhouse gases has only served as an additional complicating factor, one which has not been fully dealt with either socially or politically in the US. Much discussion and deliberation on the issue of the greenhouse effect is underway in the US and aimed at understanding the size of the problem as well as identifying options for solutions. This paper will review the recent political climate on issues of environment and energy and will include brief descriptions of the recent US Clean Air Act Amendments, the California Clean Air Act, the National Energy Strategy, and the Alternative Motor Fuels Act of 1988. These policies and programs form a backdrop for the additional and more recent challenges brought …

We have developed two general approaches to the stereoselective synthesis of {sup 15}N- and {sup 13}C-labeled amino acids. First, labeled serine, biosynthesized using the methylotrophic bacterium M. extorquens AM1, serves as a chiral precursor for the synthesis of other amino acids. For example, pyridoxal phosphate enzymes can be used for the conversion of L-({alpha}-{sup 15}N)serine to L-({alpha}-{sup 15}N)tyrosine, L-({alpha}-{sup 15}N)tryptophan, and L-({alpha}-{sup 15}N)cysteine. In the second approach, developed by Oppolzer and Tamura, an electrophilic amination'' reagent, 1-chloro-1-nitrosocyclohexane, was used to convert chiral enolates into L-{alpha}-amino acids. We prepared 1-chloro-1-({sup 15}N) nitrosocyclohexane and used it to aminate chiral enolates to produce L-({alpha}-{sup 15}N)amino acids. The stereoselectivity of this scheme using the Oppolzer sultam chiral auxiliary is remarkable, producing enantiomer ratios of 200 to 1. 22 refs., 4 figs.

The experimental status of D{sup 0} and D{sup +} semileptonic decays is reviewed and compared to model predictions. Topics covered are the form factor pole mass and decay rate for D {yields} Klv, the decay rate and form factor ratios for D {yields} K*lv, and, finally, the issue of modes other than Klv and K*lv. 4 refs., 5 tabs.

LIFAC combines upper-furnace limestone injection followed by post- furnace humidification in an activation reactor located between the air preheater and the ESP. The process produces a dry and stable waste product that is partially removed from the bottom of the activation reactor and partially removed at the ESP. In November 1990, after a ten (10) month negotiation period, LIFAC NA and the US DOE entered into a Cooperative Agreement for the design, construction, and demonstration of the LIFAC system. This report is the fifth Technical Progress Report covering the period October 1, 1991 through the end of December 1991. Due to the power plant's planned outage schedule, and the time needed for engineering, design and procurement of critical equipment, DOE and LIFAC NA agreed to execute the Design Phase of the project in August 1990, with DOE funding contingent upon final signing of the Cooperative Agreement.

In this report, we present some preliminary work performed on the effect of CO{sub 2} partial pressure on temperature programmed desorption spectra from CO{sub 2}-oxidized chars. The following was accomplished during the reporting period: Temperature programmed desorption (TPD) experiments were conducted on oxidized resin and Wyodak coal char samples gasified under varying different CO{sub 2} partial pressures. The following observations were made: CO{sub 2} partial pressure can be an important factor affecting TPD spectra. Generally, the total amount of surface oxygen desorbed as CO and CO{sub 2} increases with CO{sub 2} partial pressure during gasification for both resin char and Wyodak coal char. The total amount of oxygen desorbed is also a function of gasification temperature. Apparently, the higher the gasification temperature, the more CO and CO{sub 2} are desorbed. As an example, for 0.33 atm CO{sub 2} partial pressure, the peak CO desorption rates are 0.17 mmole/g/min and 0.13 mmole/g/min, corresponding to gasification temperature 1223K and 1173K. 12 refs., 8 figs.

The Advanced Free-Electron Laser (AFEL) is being built at Los Alamos inside a large laboratory building. In addition to cost and available space considerations, several engineering issues affected the design of the AFEL and its facility. The 1300-MHz, 20-MeV electron linac required extensive radiation shielding and a short rf-waveguide run. Free-Electron Lasers (FEL) and photocathode-drive laser optics required a clean, constant temperature environment. New environmental, health, and safety (ES H) regulations placed constraints on the facility design and layout. In the past, many ES H regulations did not apply to pilot-scale experiments such as the AFEL; compliance is now mandatory. The facility design included an earthquake restraint system for the radiation shielding, full compliance with the National Environmental Protection Act (NEPA), and minimization of airborne emissions. 8 refs., 4 figs.

Polycrystalline disks of stoichiometric magnesium aluminate spinel (MgAl{sub 2}O{sub 4}) were irradiated with 2 MeV Al{sup +} ions at 650{degrees}C and subsequently analyzed in cross-section using transmission electron microscopy (TEM). Interstitial dislocation loops were observed on 110 and 11 habit planes. The population of loops on both sets of habit planes was strongly dependent on their orientation with respect to the ion beam direction. The density of loops with habit plane normals nearly perpendicular to the ion beam direction much higher than loops with habit plane normals nearly parallel to the ion beam direction. On the other hand, the loop size was nearly independent of habit plane orientation. This anisotropic loop nucleation does not occur in ion-irradiated metals such as copper. An additional anomaly associated with ion-irradiated spinel is that the loops on 111 planes were partially unfaulted with a Burgers vector of b = a/4<110>. Previous neutron irradiation studies have never reported unfaulted loops in stoichiometric spinel. Possible cause of the unusual response of spinel to ion irradiation are discussed. 12 refs., 14 figs.