This paper discusses: (1) A general block-factorization (matrix) form of multilevel preconditioners; algebraic methods; (2) Selecting parameters based on the matrix topology; graph based algorithms; (3) Examples of coarsening; (4) Numerical experiments.

Large-scale scientific computation, and all of the disciplines that support it and help to validate it, have been placed at the focus of Lawrence Livermore National Laboratory by the Accelerated Strategic Computing Initiative (ASCI). The Laboratory operates the computer with the highest peak performance in the world and has undertaken some of the largest and most compute-intensive simulations ever performed. Computers at the architectural extremes, however, are notoriously difficult to use efficiently. Even such successes as the Laboratory's two Bell Prizes awarded in November 1999 only emphasize the need for much better ways of interacting with the results of large-scale simulations. Advances in scientific computing research have, therefore, never been more vital to the core missions of the Laboratory than at present. Computational science is evolving so rapidly along every one of its research fronts that to remain on the leading edge, the Laboratory must engage researchers at many academic centers of excellence. In FY 1999, the Institute for Scientific Computing Research (ISCR) has expanded the Laboratory's bridge to the academic community in the form of collaborative subcontracts, visiting faculty, student internships, a workshop, and a very active seminar series. ISCR research participants are integrated almost seamlessly with the Laboratory's …

We present a new approach for investigating the kinetics of defect migration during annealing of low-energy, ion-implanted silicon, employing a combination of computer simulations and atomic-resolution tunneling microscopy. Using atomically-clean Si(111)-7x7 as a sink for bulk point defects created by 5 keV Xe and Ar irradiation, we observe distinct, temperature-dependent surface arrival rates for vacancies and interstitials. A combination of simulation tools provides a detailed description of the processes that underly the observed temperature-dependence of defect segregation, and the predictions of the simulations agree closely with the experimental observations.

We examine strong field atomic physics in a wavelength region (3-4 microns) where very little work has previously been done. The soft photon energy allows the exploration of one-electron atoms with low binding energies (alkali metals). We find that photoionization spectra differ from rare gas studies at shorter wavelengths due to more complex ion core potentials. Harmonic generation is studied, and we find that harmonic bandwidths are consistent with theory and the possibility of compression to pulse widths much shorter than that of the driving pulse. Harmonic yields in the visible and W are sufficient for a complete study of their amplitude and phase characteristics.

The National Ignition Facility (NIF) has completed its design phase and is well into construction. In this talk, we review the optic specification rationale, along with examples of particular specifications and measurements.

During the FY96-FY99 funding cycle we examined the uptake of aqueous strontium onto goethite, kaolinite, and amorphous silica surfaces as a function of pH, total strontium, and temperature. Our overall goal was to produce a mechanistic sorption model that can be used in reaction-transport calculations to predict the mobility and attenuation of radioactive strontium ({sup 90}Sr)in the environment. Our approach was to combine structural information derived from EXAFS analysis together with macroscopic uptake data and surface complexation models to clarify the physical and chemical structure of sorbed complexes. We chose to study these solids because of the prevalence of clays and iron hydroxides in natural systems, and because silica colloids probably form beneath leaking tanks at Hanford as caustic waste is neutralized. We have published the spectroscopic work in two papers in the Journal of Colloid and Interface Science [1, 2], and will soon submit at third manuscript to Geochemical Transactions [3] combining the sorption and spectroscopic data with a mechanistic complexation model. Early in the study we learned that strontium sorption was independent of temperature (25 to 80 C). All subsequent work was conducted at room temperature.

At low redshifts powerful radio sources are uniquely associated with massive galaxies, and are thought to be powered by supermassive black holes. Modern 8m-10m telescopes may be used to find their likely progenitors at very high redshifts to study their formation and evolution.

Investigations of the {Sigma}5 symmetric tilt grain boundaries (STGB) in face-centered cubic (FCC) metals in four different metal systems were performed. The metals we have chosen include pure Aluminum, pure Copper, Copper with 1at% Silver, and Aluminum with 1at% Copper. The model grain boundaries have been fabricated with ultra-high vacuum diffusion bonding of single crystals. With the controlled fabrication and preparation of bicrystals we are able to determine composition, structure and morphology of grain boundaries which depends on geometry, crystal orientation, impurity concentration and temperature. The limiting factor in this approach is the ability to fabricate well defined, precisely oriented interfaces, which is enabled here with the UHV Diffusion Bonding Machine [1]. The relation between grain boundary energy and impurity segregation to the interface have been theoretically calculated for the {Sigma}5 (310)/[001] interfaces within the Local Density Approximation (LDA). The calculations use a plane-wave basis and ultrasoft pseudopotentials [2]. The overall structure, especially for the Al interface is qualitatively similar to previous predictions based on pair-potential calculations. These theoretical calculations of the interface structure indicates that the Cu and the Ag atoms segregate to distinct atomic sites at the interface. High resolution electron microscopy (HRTEM) have been used to reveal …

A prototype oligonucleotide ''functional chip'' has been developed to screen novel DNA repair proteins for their ability to bind or alter different forms of DNA. This chip has been developed as a functional genomics screen for analysis of protein-DNA interactions for novel proteins identified from the Human Genome Project The process of novel gene identification that has ensued as a consequence of available sequence information is remarkable. The challenge how lies in determining the function of newly identified gene products in a time-and cost-effective high-throughput manner. The functional chip is generated by the robotic application of DNA spotted in a microarray format onto a glass slide. Individual proteins are then analyzed against the different form of DNA bound to the slide. Several prototype functional chips were designed to contain various DNA fragments tethered to a glass slide for analysis of protein-DNA binding or enzymatic activity of known proteins. The technology has been developed to screen novel, putative DNA repair proteins for their ability to bind various types of DNA alone and in concert with protein partners. An additional scheme has been devised to screen putative repair enzymes for their ability to process different types of DNA molecules. Current methods to …

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A microfluidic switch has been demonstrated using an AC Magnetohydrodynamic (MHD) pumping mechanism in which the Lorentz force is used to pump an electrolytic solution. By integrating two AC MHD pumps into different arms of a Y-shaped fluidic circuit, flow can be switched between the two arms. This type of switch can be used to produce complex fluidic routing, which may have multiple applications in {micro}TAS.

Initial dislocation structure in annealed high-purity Mo single crystals and deformation substructure in a crystal subjected to 1% compression have been examined and studied in order to investigate dislocation multiplication mechanisms in the early stages of plastic deformation. The initial dislocation density is in a range of 10{sup 6} {approx} 10{sup 7} cm{sup -2}, and the dislocation structure is found to contain many grown-in superjogs along dislocation lines. The dislocation density increases to a range of 10{sup 8} {approx} 10{sup 9} cm{sup -2}, and the average jog height is also found to increase after compressing for a total strain of 1%. It is proposed that the preexisting jogged screw dislocations can act as (multiple) dislocation multiplication sources when deformed under quasi-static conditions. Both the jog height and length of link segment (between jogs) can increase by stress-induced jog coalescence, which takes place via the lateral migration (drift) of superjogs driven by unbalanced line-tension partials acting on link segments of unequal lengths. Applied shear stress begins to push each link segment to precede dislocation multiplication when link length and jog height are greater than critical lengths. This dynamic dislocation multiplication source is subsequently verified by direct simulations of dislocation dynamics under …

Repositories have been in use at Lawrence Livermore National Laboratories for storage of ten grams or less explosives samples for about twenty years. A previous Repository testing program detailed in UCID 19219 reported that a standard repository would contain ten grams of high explosive but the repository drawer would open. It further recommended a non-propagating array that would allow storage of quantities of explosives in a repository drawer, however; the capability of the proposed nonpropagating array was never verified. A series of tests was undertaken to verify the capability of the proposed array to provide non-propagation between 10-gram samples stored within that array and to document the extent of damage to the stored explosives, the array and the repository. Testing has verified that the standard four-drawer repository configured per UCID 19219 may store a 10-gram explosive sample without propagation to the other materials stored in the repository. Should a detonation of a 10-gram sample occur, the four-drawer repository will be damaged but does not appear to create a significant fragment hazard and does not sustain significant damage. The drawer containing the test charge opens quickly and fully releasing the detonation overpressure. Testing of a standard two-drawer repository verified that the …

Experimentation, theory, and modeling have all played vital roles in defining what is known about microstructural evolution and the effects of microstructure on material properties. Recently, technology has become an enabling factor, allowing significant advances to be made on several fronts. Experimental evidence of crystallographic slip and the basic theory of crystal plasticity were established in the early 20th century, and the theory and models evolved incrementally over the next 60 years. During this time, modeling was primarily concerned with the average response of polycrystalline aggregates. While some detailed finite element modeling (FEM) with crystal plasticity constitutive relations was performed in the early 1980's, such simulations over taxed the capacity of the available computer hardware. Advances in computer capabilities led to a flurry of activity in finite element modeling in the next 10 years, thus increasing understanding of lattice orientation evolution and generating detailed predictions of spatial orientation distributions that could not be readily validated with existing experimental characterization methods. Significant advancements in material characterization, particularly automated electron backscatter diffraction (EBSD), have made it possible to conduct detailed validation studies of the FEM predictions. The data collected are extensive, and many questions about the evolution of microstructure and its role …

Lack of a safe disposal method for radioactive nuclear waste (RNW) is a problem of staggering proportion and impact. A typical LWR fission reactor will produce the following RNW in one year: minor actinides (i.e. {sup 237}Np, {sup 242-243}Am, {sup 243-245}Cm) {approx}40 kg, long-lived fission products (i.e, {sup 99}Tc, {sup 93}Zr, {sup 129}I, {sup 135}Cs) {approx}80 kg, short lived fission products (e.g. {sup 137}Cs, {sup 90}Sr) {approx}50kg and plutonium {approx}280 kg. The total RNW produced by France and Canada amounts to hundreds of metric tonnes per year. Obtaining a uniform policy dealing with RNW has been blocked by the desire on one hand to harvest the energy stored in plutonium to benefit society and on the other hand the need to assure that the stockpile of plutonium will not be channeled into future nuclear weapons. In the meantime, the quantity and handling of these materials represents a potential health hazard to the world's population and particularly to people in the vicinity of temporary storage facilities. In the U.S., societal awareness of the hazards associated with RNW has effectively delayed development of U.S. nuclear fission reactors during the past decade. As a result the U.S. does not benefit from the large …

Highly charged ions are extracted from an electron beam ion trap and guided to Retrap, a cryogenic Penning trap, where they are merged with laser cooled Be{sup +} ions. The Be{sup +} ions act as a coolant for the hot highly charged ions and their temperature is dropped by about 8 orders of magnitude in a few seconds. Such cold highly charged ions form a strongly coupled nonneutral plasma exhibiting, under such conditions, the aggregation of clusters and crystals. Given the right mixture, these plasmas can be studied as analogues of high density plasmas like white dwarf interiors, and potentially can lead to the development of cold highly charged ion beams for applications in nanotechnology. Due to the virtually non existent Doppler broadening, spectroscopy on highly charged ions can be performed to an unprecedented precision. The density and the temperature of the Be{sup +} plasma were measured and highly charged ions were sympathetically cooled to similar temperatures. Molecular dynamics simulations confirmed the shape, temperature and density of the highly charged ions. Ordered structures were observed in the simulations.

The goal of this work was to determine the effects on plutonium isotopic analysis of having plutonium inside of a 0.25 inch thick stainless steel can. To do this, they analyzed plutonium samples with a U-Pu InSpector (which uses a high-resolution gamma-ray detector and the analysis code MGA (Multi Group Analysis)), to determine both the 240-Pu/239-Pu ratio and the years since the plutonium was separated from americium. They analyzed a 1.6 kg plutonium sample that was placed inside of a 0.25 inch can at varying distances (0-2 meters) and count times (10 seconds-30 minutes). In separate experiments, they analyzed 0.4g plutonium sources with stainless-steel thickness' ranging from 0.125 to 1.0 inch. This report will show three effects of having plutonium in a stainless steel can: (1) 240-Pu/240-Pu can be quickly and accurately determined for a 1.6 kg plutonium sample inside of a 0.25 inch thick stainless-steel can, as this thickness of stainless steel acts as a perfect filter to reduce the intense 59 keV gamma peak from 241-Am. (2) The accuracy of determining the plutonium-americium separation date is not effected by 0.25 inch of stainless steel. (3) Both 240-Pu/239-Pu and the americium separation date can be accurately determined for stainless-steel …

Lawrence Livermore National Laboratory (LLNL) has conducted design and testing activities of the Nondestructive Assay/Evaluation (NDA/NDE) system that will be installed to support the Plutonium Ceramification Test Facility (PuCTF). PuCTF immobilizes plutonium using the ceramic can-in-canister technology. The overall function of the NDA/NDE System is to ensure that sintered pucks contain the appropriate materials for ceramification process control, special nuclear materials (SNM) accountability, and repository acceptance. The system accepts sample pucks from the ceramification system, performs measurements, and determines if the product pucks are acceptable. This report details the conceptual system that is being developed.

Recent experiments at the LLNL Petawatt Laser have demonstrated the generation of intense, high energy beams of electrons and ions from the interaction of ultra-intense laser light with solid targets. Focused laser intensities as high as 6 x 10{sup 20} W/cm{sup 2} are achieved, at which point the quiver energies of the target electrons extend to {approx}10 MeV. In this new, fully relativistic regime of laser-plasma interactions, nuclear processes become important and nuclear techniques are required to diagnose the high-energy particle production. In recent experiments we have observed electrons accelerated to 100 MeV, up to 60 MeV brehmsstrahlung generation, photo-nuclear fission and positron-electron pair creation. We also have observed monoenergetic jets of electrons having sufficiently small emittance to be interesting as a laser-accelerated beam, if the production mechanism could be understood and controlled. The huge flux of multi-MeV ponderomotively accelerated electrons produced in the laser-solid interaction is also observed to accelerate contaminant ions from the rear surface of the solid target up to 50 MeV. We describe spectroscopic measurements which reveal intense monoenergetic beam features in the proton energy spectrum. The total spectrum contains >10{sup 13} protons, while the monoenergetic beam pulses contain {approx}1 nC of protons, and exhibits a …

This interim change notice updates groundwater quality assessment plan at WMA S-SX and documents completion of three new wells planned for in the original document.

The development of a new class of laser systems: capable of producing intense radiation in the mid-infrared (MIR) regime (photon energies between 0.3 and 0.4 eV), opens the possibility of observing multiphoton processes in a new class of systems with lower ionization potentials than those previously studied. Of particular interest are the alkali metal atoms, which are true one-(valence)-electron systems. We present theoretical calculations of above threshold ionization (ATI) and high harmonic generation (HHG) from alkali metal atoms subject to 3-4 {micro}m laser irradiation. The ATI calculations, which use a multiple gauge propagation method, show a striking dependence in the production of high-order photoelectrons on the electron-ion potential. The HHG calculations illustrate the importance of the strong ground-to-first excited state coupling in multiphoton processes in the alkali metals.

In this paper, we determine the minimum hybridization probe length to uniquely identify at least 95% of the open reading frame (ORF) in an organism. We analyze the whole genome sequences of 17 species, 11 bacteria, 4 archaea, and 2 eukaryotes. We also present a mathematical model for minimum probe length based on assuming that all ORFs are random, of constant length, and contain an equal distribution of bases. The model accurately predicts the minimum probe length for all species, but it incorrectly predicts that all ORFs may be uniquely identified. However, a probe length of just 9 bases is adequate to identify over 95% of the ORFs for all 15 prokaryotic species we studied. Using a minimum probe length, while accepting that some ORFs may not be identified and that data will be lost due to hybridization error, may result in significant savings in microarray and oligonucleotide probe design.

We have developed a microfabricated flow-through impedance characterization system capable of performing AC, multi-frequency measurements on cells and other particles. The sensor measures both the resistive and reactive impedance of passing particles, at rates of up to 100 particles per second. Its operational bandwidth approaches 10 MHz with a signal-to-noise ratio of approximately 40 dB. Particle impedance is measured at three or more frequencies simultaneously, enabling the derivation of multiple particle parameters. This constitutes an improvement to the well-established technique of DC particle sizing via the Coulter Principle. Human peripheral blood granulocyte radius, membrane capacitance, and cytoplasmic conductivity were measured (r = 4.1 {micro}m, C{sub mem} = 0.9 {micro}F/cm{sup 2}, {sigma}{sub int} = 0.66 S/m) and were found to be consistent with published values.

We compare the detector background situation in an e{sup -} e{sup -} interaction region at the NLC with previous studies done of the NLC e{sup +} e{sup -} interaction region. We note from previous studies that the dominant source of detector backgrounds are the beamstrahlung pairs. Since these scale with luminosity, the reduction in luminosity in e{sup -} e{sup -} collisions leads to a reduction in detector backgrounds compared to the e{sup +} e{sup -} situation.