Article on theoretical STM signatures and transport properties of native defects in carbon nanotubes.

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.

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.

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

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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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 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 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. …

In the context of the LHC experiments, the physics of bottom flavoured hadrons enters in different contexts. It can be used for QCD tests, it affects the possibilities of B decays studies, and it is an important source of background for several processes of interest. The physics of b production at hadron colliders has a rather long story, dating back to its first observation in the UA1 experiment. Subsequently, b production has been studied at the Tevatron. Besides the transverse momentum spectrum of a single b, it has also become possible, in recent time, to study correlations in the production characteristics of the b and the b. At the LHC new opportunities will be offered by the high statistics and the high energy reach. One expects to be able to study the transverse momentum spectrum at higher transverse momenta, and also to exploit the large statistics to perform more accurate studies of correlations.

The major consumer electronics in U.S. homes accounted for nearly 7 percent of U.S. residential electricity consumption in 1999. We attribute more than half of this figure (3.6 percent) to televisions, videocassette recorders, and DVD players, and nearly one-third (1.8 percent) to audio products. Set-top boxes currently account for a relatively small fraction of residential electricity use (0.7 percent), but we expect this end-use to grow quickly with the proliferation of digital set-top boxes, which currently use 40 percent more energy per unit than the average TV set. In all, these consumer electronics plus telephone products consumed 75 TWh in the U.S. in 1999, half of which was consumed while the products were not in use. This energy use is expected to grow as products with new or advanced functionality hit the market.

''Condensed History'' algorithms are Monte Carlo models for electron transport problems, They describe the aggregate effect of multiple collisions that occur when an electron travels a path length s{sub 0}. This path length is the distance each Monte Carlo electron travels between Condensed History steps. Conventional Condensed History schemes employ a splitting routine over the range 0 {le} s {le} s{sub 0}. For example, the Random Hinge method splits each path length step into two substeps; one with length {xi}s{sub 0} and one with length (1-{xi})s{sub 0}, where {xi} is a random number from 0 < {xi} < 1. Here we develop a new Condensed History algorithm to improve the accuracy of electron transport simulations by preserving the mean position and the variance in the mean of electrons that have traveled a path length s and are traveling with the direction cosine {mu}. These means and variances are obtained from the zeroth-, first-, and second-order spatial moments of the Boltzmann transport equation. Hence, our method is a Monte Carlo application of the ''Method of Moments''.

Efforts to model and measure absolute neutron-induced reaction cross sections have for the most part been limited by experimental techniques to neutron energies found in reactors and light-ion fusion reactions (i.e., t(d,n){alpha} etc.). This can in large part be attributed to the difficulty involved in making high-flux mono-energetic neutron beams with E{sub n} > 14 MeV. The result has been a lack of guidance for (n,xnypz{alpha}) reaction modeling for E{sub n} > 1-2 MeV. These limitations become particularly exacerbated in nuclei where structure effects (i.e., near shell closures, high deformation etc.) or fission complicates the models. The GEANIE spectrometer at LANSCE/WNR fills this gap in experimental technique by allowing for efficient measurement of neutron-induced {gamma}-ray partial cross sections over a wide range of incident neutron energies (1 < E{sub n} (MeV) < 250). GEANIE consists of 20 Compton-suppressed and 6 unsuppressed hpGe detectors located at the 60{sup o} right beam line at the LANSCE/WNR spallation source. Eleven of the GEANIE detectors are Low Energy Planar Spectrometers (LEPS) with excellent timing and energy resolution. LANSCE/WNR provides a white source of neutrons through the spallation of a tungsten target with an 800 MeV 2-5 {micro}amp beam of protons. Neutron energy is determined …

Quantification of specific proteins depends on separation by chromatography or electrophoresis followed by chemical detection schemes such as staining and fluorophore adhesion. Chemical exchange of short-lived isotopes, particularly sulfur, is also prevalent despite the inconveniences of counting radioactivity. Physical methods based on isotopic and elemental analyses offer highly sensitive protein quantitation that has linear response over wide dynamic ranges and is independent of protein conformation. Accelerator mass spectrometry quantifies long-lived isotopes such as 14C to sub-attomole sensitivity. We quantified protein interactions with small molecules such as toxins, vitamins, and natural biochemicals at precisions of 1-5% . Micro-proton-induced-xray-emission quantifies elemental abundances in separated metalloprotein samples to nanogram amounts and is capable of quantifying phosphorylated loci in gels. Accelerator-based quantitation is a possible tool for quantifying the genome translation into proteome.

A numerical methodology to incorporate anisotropic elasticity into three-dimensional dislocation dynamics codes has been developed, employing theorems derived by Lothe (1967), Brown (1967), Indenbom and Orlov (1968) and Asaro and Barnett (1976). The formalism is based on the stress field solution for a straight dislocation segment of arbitrqq orientation in 3-dimensional space. The general solution is given in a complicated closed integral form. To reduce the computation complexity, look-up tables are used to avoid heavy computations for the evaluation of the angular stress factor ({Sigma}{sub ij}) and its first derivative term ({Sigma}{sub ij}). The computation methodology and error analysis are discussed in comparison with known closed form solutions for isotropic elasticity. For the case of Mo single crystals, it is shown that the difference between anisotropic and isotropic elastic stress fields can be as high as 15% close to the dislocation line, and decreases significantly far away from it. This suggests that short-range interactions should be evaluated based on anisotropic elasticity, while long-range interaction can be approximated using isotropic elasticity.

These proceedings contain papers prepared for the 22nd Annual DoD/DOE Seismic Research Symposium: Planning for Verification of and Compliance with the Comprehensive Nuclear-Test-Ban Treaty (CTBT), held 13-15 September 2000 in New Orleans, Louisiana. These papers represent the combined research related to ground-based nuclear explosion monitoring funded by the National Nuclear Security Administration (NNSA), Defense Threat Reduction Agency (DTRA), Air Force Technical Applications Center (AFTAC), Department of Defense (DoD), US Army Space and Missile Defense Command, Defense Special Weapons Agency (DSWA), and other invited sponsors. The scientific objectives of the research are to improve the United States capability to detect, locate, and identify nuclear explosions. The purpose of the meeting is to provide the sponsoring agencies, as well as potential users, an opportunity to review research accomplished during the preceding year and to discuss areas of investigation for the coming year. For the researchers, it provides a forum for the exchange of scientific information toward achieving program goals, and an opportunity to discuss results and future plans. Paper topics include: seismic regionalization and calibration; detection and location of sources; wave propagation from source to receiver; the nature of seismic sources, including mining practices; hydroacoustic, infrasound, and radionuclide methods; on-site inspection; and …

We present the preliminary results of our astrometric study of stellar motions along the lines of sight of the Magellanic Clouds and the Galactic bulge. We find that we are able to select stars with proper motions as small as 0.03 inch/yr from five years of PSF photometry due to the characteristic nature of the shapes the light curves of HFM stars. This shape arises from the proper motion of the object relative to the initial fixed centroid location where all photometry of the object is performed. By selecting such light curves and performing astrometry on candidate HPM stars we have discovered 154 new high proper motion (HPM) stars in 50{sup {open_square}}{sup o} from amongst the {approx} 55 million of stars observed by the MACHO project in these fields. These objects have proper motions as high as 0.5 inch/yr, luminosities ranging from V {approx} 13 to V {approx} 19, and V-R colours between 0.3 and 1.45.

An important motivation in the development of the next generation x-ray light sources is to achieve picosecond and sub-ps pulses of hard x-rays for dynamic studies of a variety of physical, chemical and biological processes. Present hard x-ray sources are either pulse-width or intensity limited, which allows ps-scale temporal resolution only for signal averaging of highly repetitive processes. A much faster and brighter hard x-ray source is being developed at LLNL, based on Thomson scattering of fs-laser pulses by a relativistic electron beam, which will enable x-ray characterization of the transient structure of a sample in a single shot. Experimental and diagnostic techniques relevant to the development of next generation sources including the Linac Coherent Light Source can be tested with the Thomson scattering hard x-ray source. This source will combine an RF photoinjector with a 100 MeV S-band linac. The photoinjector and linac also provide an ideal test-bed for examining space-charge induced emittance growth effects. A program of beam dynamics and diagnostic experiments are planned in parallel with Thomson source development. Our experimental progress and future plans will be discussed.

Initiation and detonation properties are dramatically affected by an energetic material's microstructural properties. Sol-gel chemistry allows intimacy of mixing to be controlled and dramatically improved over existing methodologies. One material goal is to create very high power energetic materials which also have high energy densities. Using sol-gel chemistry we have made a nanostructured composite energetic material. Here a solid skeleton of fuel, based on resorcinol-formaldehyde, has nanocrystalline ammonium perchlorate, the oxidizer, trapped within its pores. At optimum stoichiometry it has approximately the energy density of HMX. Transmission electron microscopy indicated no ammonium perchlorate crystallites larger than 20 nm while near-edge soft x-ray absorption microscopy showed that nitrogen was uniformly distributed, at least on the scale of less than 80 nm. Small-angle neutron scattering studies were conducted on the material. Those results were consistent with historical ones for this class of nanostructured materials. The average skeletal primary particle size was on the order of 2.7 nm, while the nanocomposite showed the growth of small 1 nm size crystals of ammonium perchlorate with some clustering to form particles greater than 10 nm.

Traditional induction tools use source arrays in which both receiving and transmitting magnetic dipoles are oriented along the borehole axis. This orientation has been preferred for traditional isotropic formation evaluation in vertical boreholes because borehole effects are minimized by the source-receiver-borehole symmetry. However, this source-receiver geometry tends to minimize the response of potentially interesting geological features? such as bed resistivity anisotropy and fracturing which parallels the borehole. Traditional uniaxial tool responses are also ambiguous in highly deviated boreholes in horizontally layered formations. Resolution of these features would be enhanced by incorporating one or more source transmitters that are perpendicular to the borehole axis. Although these transmitters can introduce borehole effects, resistive oil-based muds minimize borehole effects for horizontal source data collection and interpretation. However, the use of oil based muds is contraindicated in environmentally sensitive areas. For this reason, it is important to be able to assess the influence of conductive water based muds on the new generation of triaxial induction tools directed toward geothermal resource evaluation and to develop means of ameliorating any deleterious effects. The present paper investigates the effects of a borehole on triaxial measurements. The literature contains a great deal of work on analytic expressions for …