PVODE is a high-performance ordinary differential equation solver for the types of initial value problems (IVPs) that arise in large-scale computational simulations. often, one wants to compute sensitivities with respect to certain parameters in the IVP. They discuss the use of automatic differentiation (AD) to compute these sensitivities in the context of PVODE. Results on a simple test problem indicate that the use of AD-generated derivative code can reduce the time to solution over finite difference approximations.

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 objective of this project is to facilitate the ligand development process for f-block metal ions, i.e., the actinides and lanthanides, by developing an accurate set of criteria for the design of ligand architectures. To achieve this objective we first combine theory and experiment to understand the nature of fundamental interactions in selected metal-ligand systems. These design criteria provide a basis for proposing improved Ligand architectures. We then incorporate this understanding within the framework of a molecular mechanics force field to allow the rapid calculation of geometries and energies for ligands and their metal complexes. This computational model provides a method for quickly screening proposed architectures to identify the best candidates for subsequent synthesis and testing.

We combine AAVSO and VSS/RASNZ optical and Extreme Ultraviolet Explorer EUV light curves of dwarf novae in outburst to place constraints on the nature of dwarf nova outbursts. From the observed optical-EUV time delays of {approx} 0.75-1.5 days, we show that the propagation velocity of the dwarf nova instability heating wave is {approx} 3 km s{sup -1}.

Recent LLNL experiments reported elsewhere at this conference explored the pulselength dependence of 351 nm bulk damage incidence in DKDP. The results found are consistent, in part, with a model in which a distribution of small bulk initiators is assumed to exist in the crystal and the damage threshold is determined by reaching a critical temperature. The observed pulse length dependence can be explained as being set by the most probable defect capable of causing damage at a given pulselength. Analysis of obscuration in side illuminated images of the damaged region yields estimates of the damage site distributions that are in reasonable agreement with the distributions experimentally directly estimated.

Annual report of performance against FY2000 performance evaluation and fee aggreement.

This report is the description of saving carbon in residences using the microCHP.

This report contains results from TCLP preparation and analysis of K East Basin floor and canister composite sludge samples. Analyses were performed in the Radiochemical Processing Laboratory (PNNL, 325 Building).

This note is a document about dimensions and measurement results of waveguide-coax launchers (Band 1 and 2) installed on the arrays in debuncher cooling upgrade. Shown in Figure 1, 5, 8 and 12 are schematic drawings of launchers in the cross section along the longitudinal direction (beam direction) of the arrays. The unit in these drawings is inch. Note: although there are upper band and lower band for pickup arrays, the launchers are the same to avoid possible confusion during installation. RF Measurements were made on all launchers (port) and printed in hard copies for future reference. Since the measurement results are similar to each other, only a few plots for each type of launcher/band are presented in this document. There are two types of measured S11 parameters. One is the measurement made at the end of design/tuning stage using a straight section of band 1 or 2 waveguide terminated with a cone of absorber. I use 'Original' to denote this kind of measurement. As shown in Figure 2, 6, 9 and 13, the original S11 of all launchers are below or around - 20 db over the full band 1 or 2. The other type of measurement is the …

The effect of hydrostatic pressure on the structure of glasses is not well understood. There is extensive evidence now indicating that glasses undergo structural transformation upon application of pressure. These transformations are usually evidenced by changes in density, sound velocity, and structural changes from diffraction measurements (x-ray and neutron). In vitreous GeO{sub 2}, a change in Ge-coordination from 4-6 is evidenced on the application of pressure. The coordination change reverts back to 4 on releasing the pressure indicating that the structural transformation is reversible with pressure. But a shift towards higher Q (inverse space) of the first sharp diffraction peak (FSDP) on the pressure compacted v-SiO{sub 2} and v-GeO{sub 2} suggests that application of pressure has both reversible and irreversible components such that on the release of pressure, the glass remains in a permanently compacted state.

Preliminary designs of an intense heavy-ion beam transport experiment to test issues for Heavy Ion Fusion (HIF) are presented. This transport channel will represent a single high current density beam at full driver scale and will evaluate practical issues such as aperture filling factors, electrons, halo, imperfect vacuum, etc., that cannot be fully tested using scaled experiments. Various machine configurations are evaluated in the context of the range of physics and technology issues that can be explored in a manner relevant to a full scale driver. it is anticipated that results from this experiment will allow confident construction of next generation ''Integrated Research Experiments'' leading to a full scale driver for energy production.

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The ''Nitrogen Oxides Emission Reduction Program'' and ''Ozone Non-Attainment Program'' in the 1990 Clean Air Act provide guidelines for controlling NOx (NO and NO{sub 2}) emissions in new and existing stationary sources. NOx emissions have local (air quality), regional (acid rain), and global (ozone production) consequences. This study aids in developing the photocatalyst technology that has potential for use in abatement of NOx. The objective of the proposed project is to apply the principles of chemical engineering fundamentals--reaction kinetics, transport phenomena and thermodynamics--in the process design for a system that will utilize a photocatalytic reactor to oxidize NOx to nitric acid (HNO{sub 3}). HNO{sub 3} can be more easily trapped than NOx on adsorbent surfaces or in water. The project dealt with the engineering aspect of the gas-solid heterogeneous oxidation of NOx. The experiments were conducted in a photocatalyst wash-coated glass flow tube reactor. A mathematical model was developed based on a rigorous description of the physical and chemical processes occurring in the reactor. The mathematical model took into account (1) intrinsic reaction kinetics (i.e., true reaction rates), (2) transport phenomena that deal with the mass transfer effects in the reactor, and (3) the geometry of the reactor. The experimental …

Coal beneficiation is achieved by suspending coal fines in a colloidal suspension of microscopic gas bubbles in water under atmospheric conditions to form small agglomerates of the fines adhered by the gas bubbles. The agglomerates are separated, recovered and resuspended in water. Thereafter, the pressure on the suspension is increased above atmospheric to deagglomerate, since the gas bubbles are then re-dissolved in the water. During the deagglomeration step, the mineral matter is dispersed, and when the pressure is released, the coal portion of the deagglomerated gas-saturated water mixture reagglomerates, with the small bubbles now coming out of the solution. The reagglomerate can then be separated to provide purified coal fines without the mineral matter.

Advanced x-ray radiography machines require that multiple electron beam pulses be delivered to x-ray converter targets over several lines of sight. This can be accomplished using a single accelerator by using a fast kicker to deliver the electron beam pulses to several beamlines. This type of radiography machine requires transport lines with several large achromatic bends in the individual transport lines. To maintain a small spot size and a large dose for an x-ray pulse created at the converter target at each transport line requires that emittance growth be kept to a minimum on each beamline. Emittance growth can arise from nonlinear forces associated with the external focusing elements, nonlinear image forces, and non-linear space charge fields associated with the curvature of the beam and the transport line. We have used a multi-slice, particle-in-cell code to study the emittance growth in a bend. The code uses the beam slice's local coordinates. Typically, the radius of curvature, R for such a beam and the transport line is much larger than the pipe radius, b. The space charge fields can be approximated as that in a straight beam with correction terms to first order in b/R. To include the effects of the …

The joint goal of the Russian work is to establish a full-scale plutonium immobilization facility at a Russian industrial site by 2005. To achieve this requires that the necessary engineering and technical basis be developed in these Russian projects and the needed Russian approvals be obtained to conduct industrial-scale immobilization of plutonium-containing materials at a Russian industrial site by the 2005 date. This meeting and future work will provide the basis for joint decisions. Supporting R&D projects are being carried out at Russian Institutes that directly support the technical needs of Russian industrial sites to immobilize plutonium-containing materials. Special R&D on plutonium materials is also being carried out to support excess weapons disposition in Russia and the US, including nonproliferation studies of plutonium recovery from immobilization forms and accelerated radiation damage studies of the US-specified plutonium ceramic for immobilizing plutonium. This intriguing and extraordinary cooperation on certain aspects of the weapons plutonium problem is now progressing well and much work with plutonium has been completed in the past two years. Because much excellent and unique scientific and engineering technical work has now been completed in Russia in many aspects of plutonium immobilization, this meeting in St. Petersburg was both timely …

A Working Group Meeting on Heavy Vehicle Aerodynamic Drag was held at Lawrence Livermore National Laboratory on March 16, 2000. The purpose of the meeting was to present technical details on the experimental and computational plans and approaches and provide an update on progress in the analysis of experimental results, model developments, simulations, and an investigation of an aerodynamic device. The focus of the meeting was a review of University of Southern California's (USC) experimental plans and results, NASA Ames experimental plans, the computational results from Lawrence Livermore National Laboratory (LLNL) and Sandia National Laboratories (SNL) for the integrated tractor-trailer benchmark geometry called the Ground Transportation System (GTS) Model, and turbulence model development and benchmark simulation for a rounded cube from California Institute of Technology (Caltech). Much of the meeting discussion involved deficiencies in commercial software, needed modeling improvements, and the importance of detailed data for code validation. The present and projected budget and funding situation was also discussed. Presentations were given by representatives from the Department of Energy (DOE) Office of Transportation Technology Office of Heavy Vehicle Technology (OHVT), LLNL, SNL, NASA Ames, USC, and Caltech. Representatives from Argonne National Laboratory also participated via telephone. This report contains the …

The effective I/O bandwidth benchmark (b{_}eff{_}io) covers two goals: (1) to achieve a characteristic average number for the I/O bandwidth achievable with parallel MPI-I/O applications, and (2) to get detailed information about several access patterns and buffer lengths. The benchmark examines ''first write'', ''rewrite'' and ''read'' access, strided (individual and shared pointers) and segmented collective patterns on one file per application and non-collective access to one file per process. The number of parallel accessing processes is also varied and well-formed I/O is compared with non-well formed. On systems, meeting the rule that the total memory can be written to disk in 10 minutes, the benchmark should not need more than 15 minutes for a first pass of all patterns. The benchmark is designed analogously to the effective bandwidth benchmark for message passing (b{_}eff) that characterizes the message passing capabilities of a system in a few minutes. First results of the b{_}eff{_}io benchmark are given for IBM SP and Cray T3E systems and compared with existing benchmarks based on parallel Posix-I/O.

The Lawrence Berkeley National Laboratory is preparing to upgrade the Advanced Light Source (ALS) with three superconducting dipoles (Superbends). In this paper we present the final magnet system design which incorporates R&D test results and addresses the ALS operational concerns of alignment, availability, and economy. The design incorporates conduction-cooled Nb-Ti windings and HTS current leads, epoxy-glass suspension straps, and a Gifford-McMahon cryocooler to supply steady state refrigeration. We also present the current status of fabrication and testing.

The technical goal of this collaborative effort is to measure electron temperature fluctuations using electron cyclotron emission on the Alcator-C tokamak. The physics goal is to understand the role that these fluctuations play in plasma transport; in particular, the influence of electron temperature fluctuations on anomalous transport. Measurement techniques and apparatus are discussed.

This document serves as a notice of construction (NOC) pursuant to the requirements of Washington Administrative Code (WAC) 246-247-060, and as a request for approval to modify pursuant to 40 Code of Federal Regulations (CFR) 61.07, for the installation and operation of one waste retrieval system in each of the following tanks; 241-AN-101, -AN-102, -AN-103, -AN-104, -AN-105 and -AN-107. Pursuant to 40 CFR 61.09 (aXI), this application is also intended to provide anticipated initial start-up notification. It is requested that EPA approval of this application will also constitute EPA acceptance of the initial start-up notification. This NOC covers the installation and operation o f a waste retrieval system in tanks 241-AN-101, -AN-102, -AN-103, -AN-104, -AN-105 and -AN-107, and the 241-AN-A/-B Valve Pits. Generally, this includes removal of existing equipment, installation of new equipment, and construction of new ancillary equipment and buildings between now and the year2011. Tanks 241-AN-101, -AN-102, -AN-103, -AN-104, -AN-105 and -AN-107 will provide waste feed for immobilization into a low activity waste (LAW) product.

The calibration facilities will be dynamic and will change to meet the needs of experiments. Small sources, such as the Manson Source should be available to everyone at any time. Carrying out experiments at Omega is providing ample opportunity for practice in pre-shot preparation. Hopefully, the needs that are demonstrated in these experiments will assure the development of (or keep in service) facilities at each of the laboratories that will be essential for in-house preparation for experiments at NIF.

The phase stability of C-22 alloy (UNS No. N06022) gas tungsten arc welds was studied by aging samples at 427, 482, 538, 593, 649, 704, and 760 C for times up to 40,000 hours. The tensile properties and the Charpy impact toughness of these samples were measured in the as-welded condition as well as after aging. The corrosion resistance was measured using standard immersion tests in acidic ferric sulfate (ASTM G 28 A) and 2.5% hydrochloric acid solutions at the boiling point. The microstructures of weld samples were examined using scanning electron microscopy (SEM). One weld sample (aged 40,000 hours at 427 C) was examined using transmission electron microscopy (TEM). The structure of the unaged welds was dendritic with tetrahedrally close-packed (TCP) phase particles in the interdendritic regions. Long-range order was seen in the weld aged at 427 C for 40,000 hours and was assumed to also occur in other welds aged below approximately 600 C. At temperatures above about 600 C, TCP phase nucleation and growth of existing particles occurred. This precipitation occurred near the original particles presumably in regions of the highest molybdenum (Mo) segregation. Lower temperatures had little or no effect on the morphology of TCP phases. …

OAK B202 Treatment of cells with oxidative DNA damaging agents such as ionizing radiation and hydrogen peroxide produces .OH radicals which attack DNA, producing single strand breaks and double strand breaks that have a 3'-blocked terminus with a phosphoglycolate or a phosphate group attached to the 3'-terminus. While DNA strand breaks with 3'-blocked termini are the hallmark of oxidative DNA damage, the mechanisms by which such blocked 3'-termini are removed in eukaryotes remain poorly understood. The goals of this project were to identify the various genes that function in cleaning the blocked 3'ends from DNA strand breaks generated by treatments with ionizing radiation and hydrogen peroxide, to purify the proteins encoded by these genes and to characterize their biochemical activities, and to determine the biological consequences when such damage is not repaired. Because of the high degree of conservation of DNA repair proteins between yeast and humans, and because of the ease of genetic manipulations, initial studies were to be carried out in Saccharomyces cerevisiae. The homologous genes and proteins would then be studied in humans. One aspect of our proposed research was to purify the Apn2 protein from yeast cells and to examine its AP endonuclease and 3'-phosphodiesterase activities. …