In recent tests without beam, the Argonne 12 MHz split-coaxial radio-frequency quadruple (RFQ) achieved a cw intervane voltage of more than 100 kV, the design operating voltage for the device. This voltage is sufficient for the RFQ to function as the first stage of a RIB injector for the Argonne Tandem Linear Accelerator System (ATLAS). Previously reported beam dynamics calculations for the structure predict longitudinal emittance growth of only a few keV{center_dot}ns for beams of mass 132 and above with transverse emittance of 0.27 {pi} mm{center_dot}mrad (normalized). Such beam quality is not typical of RFQ devices. The work reported here is preparation for tests with beams of mass up to 132. Beam diagnostic stations are being developed to measure the energy gain and beam quality of heavy ions accelerated by the RFQ using the Dynamitron accelerator facility at the ANL Physics Division as the injector. Beam diagnostic development includes provisions for performing the measurements with both a Si charged-particle detector and an electrostatic energy spectrometer system.

We have found that the hardware and software infrastructure exists to simulate general relativity problems in a distributed computational environment, at some cost in performance. We examine two different issues for running the Cactus code in such a distributed environment The first issue is running a Cactus simulation on multiple parallel computer systems. Our objective is to perform larger simulations than are currently possible on a single parallel computer. We distribute Cactus simulations across multiple supercomputers using the mechanisms provided by the Globus toolkit. In particular, we use Globus mechanisms for authentication, access to remote computer systems, file transfer, and communication. The Cactus code uses MPI for communication and makes use of an MPI implementation layered atop Globus communication mechanisms. These communication mechanisms allow a MPI application to be executed on distributed resources. We find that without performing any code optimizations, our simulations ran 48% to 100% slower when using an Origin at the National Center for Supercomputing Applications (NCSA) and an Onyx2 at Argonne National Laboratory (ANL). We also ran simulations between Cray T3Es in Germany and a T3E at the San Diego Supercomputing Center (SDSC). Running between the T3Es in Germany resulted in an increase in execution time …

Boron nitride (BN) coatings are deposited by the reactive sputtering of fully dense, boron (B) targets utilizing an argon-nitrogen (Ar-N{sub 2}) reactive gas mixture. Near-edge x-ray absorption fine structure analysis reveals features of chemical bonding in the B 1s photoabsorption spectrum. Hardness is measured at the film surface using nanoindentation. The BN coatings prepared at low, sputter gas pressure with substrate heating are found to have bonding characteristic of a defected hexagonal phase. The coatings are subjected to post-deposition nitrogen (N{sup +} and N{sub 2}{sup +}) implantation at different energies and current densities. The changes in film hardness attributed to the implantation can be correlated to changes observed in the B 1s NEXAFS spectra.

Detailed analysis of a quarter channel was performed using VIPRE and CFX. Results show that VIPRE and CFX agree closely in both cross-sectionally averaged axial temperature and cross-sectionally averaged axial velocity profiles. Detailed temperature distributions in the radial direction over 1mm from the clad surface towards the center of the channel were calculated using CFX, showing significant local variation. This information can be used for example, to determine if this temperature will lead to bubble nucleation. Quarter subassembly calculations were made with both VIPRE and STAR-CD. Comparison between the solutions show that the two codes yield very similar solutions under comparable conditions. However, the STAR-CD CFD calculation provides the analyst with much more detailed flow and temperature distributions than can be predicted by a one-dimensional code such as VIPRE. In addition, a 60 million cell one-eighth reactor core calculation was made using STAR-CD. This analysis showed the importance of accurately predicting the flow and temperature fields in all assemblies simultaneously with modern parallel processing technology, practical turnaround for these types of calculation can be obtained.

The phenomenological application of Dyson-Schwinger equations to the calculation of meson properties observable at TJNAF is illustrated. Particular emphasis is given to the ability of this framework to unify long-range effects constrained by chiral symmetry with short-range effects prescribed by perturbation theory, and interpolate between them.

Intense pulsed ion beams (500 keV, 30 kA, 0.5 {mu}s) are being investigated for materials processing. Demonstrated and potential applications include film deposition, glazing and joining, alloying and mixing, cleaning and polishing, corrosion improvement, polymer surface treatments, and nanophase powder synthesis. Initial experiments at Los Alamos have emphasized thin-film formation by depositing beam ablated target material on substrates. We have deposited films with complex stoichiometry such as YBa{sub 2}Cu{sub 3}O{sub 7-x}, and formed diamond-like-carbon films. Instantaneous deposition rates of 1 mm/sec have been achieved because of the short ion range (typically 1{mu}m), excellent target coupling, and the inherently high energy of these beams. Currently the beams are produced in single shot uncomplicated diodes with good electrical efficiency. High-voltage modulator technology and diodes capable of repetitive firing, needed for commercial application, are being developed.

{sup 6}Li and {sup 7}Li solid state magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy has been used to investigate the local coordination environment of lithium in a series of xLi{sub 2}O {center_dot} (1-x)P{sub 2}O{sub 5} glasses, where 0.05 {le} x {le} 0.55. Both the {sup 6}Li and {sup 7}Li show chemical shift variations with changes in the Li{sub 2}O concentration, but the observed {sup 6}Li NMR chemical shifts closely approximate the true isotropic chemical shift and can provide a measure of the lithium bonding environment. The {sup 6}Li NMR results indicate that in this series of lithium phosphate glasses the Li atoms have an average coordination between four and five. The results for the metaphosphate glass agree with the coordination number and range of chemical shifts observed for crystalline LiPO{sub 3}. An increase in the {sup 6}Li NMR chemical shift with increasing Li{sub 2}O content was observed for the entire concentration range investigated, correlating with increased cross-linking of the phosphate tetrahedral network by O-Li-O bridges. The {sup 6}Li chemical shifts were also observed to vary monotonically through the anomalous glass transition temperature (T{sub g}) minimum. This continuous chemical shift variation shows that abrupt changes in the Li coordination …

Evolutionary algorithms have been successfully applied to a variety of molecular structure prediction problems. In this paper we reconsider the design of genetic algorithms that have been applied to a simple protein structure prediction problem. Our analysis considers the impact of several algorithmic factors for this problem: the confirmational representation, the energy formulation and the way in which infeasible conformations are penalized, Further we empirically evaluated the impact of these factors on a small set of polymer sequences. Our analysis leads to specific recommendations for both GAs as well as other heuristic methods for solving PSP on the HP model.

The increasing data complexity engendered by the Accelerated Scientific Computing Initiative (ASCI) requires more capability in our scientific visualization software. B Division at Lawrence Livermore National Laboratory (LLNL) addresses these new and changing requirements with MeshTV. We began work on MeshTV around eight years ago, and have progressively refined the software to provide improved scientific analysis and visualization to well over 100 users at Liver-more, Los Alamos, Sandia, and in private industry. (U)

With the anticipated delivery of the ASCI Blue Pacific SST machine approaching, the scaling and performance on large numbers of processors for B Division applications codes have become a matter of consider able interest. Besides the practical impact on users (achievable problem size and runtime), the application codes� performance are the ultimate measure of th esuccess of the ASCI machines.The ALE3D code was used to evaluate the performance of the current Blue PacificTechnical Refresh hardware and software in various modes of running. We will present results and analysis of the performance behavior from this study, along with results from other ASCI machines.While gathering statics from user problem runs is easy to do, it is difficult to analyze the variation in performance from problem to problem, or to adjust the problem size consistently for scaling studies. Trivial problems can be used, but may not well reflect the actual performance users can expect. For this study, a series of problems were used that reflect the characteristics of real user problems, but allow for uniform, constant work per processor scaling of problem size and well understood communication characteristics between processors. Additional results for fixed-size problems are presented. Runs were done using different message …

The positions of Ge atoms intermixed in the Si(100) surface at very low concentration are identified using empty-state imaging in scanning tunneling microscopy. A measurable degree of place exchange occurs at temperatures as low as 330 K. Contrary to earlier conclusions, good differentiation between Si atoms and Ge atoms can be achieved by proper imaging conditions.

Because of the complexity of two-phase flow phenomena, two-phase flow codes rely heavily on empirical correlations. This approach has a number of serious shortcomings. Advances in parallel computing and continuing improvements in computer speed and memory have stimulated the development of numerical simulation tools that rely less on empirical correlations and more on fundamental physics. The objective of this work is to take advantage of developments in massively parallel computing, single-phase computational fluid dynamics of complex systems, and numerical methods for front capturing in two-phase flows to develop a computer code for direct numerical simulation of two-phase flow. This includes bubble/droplet transport, interface deformation and topology change, bubble/droplet interactions, interface mass, momentum and energy transfer.

Detection of changes in the resonant frequencies and mode shapes of a system is a fundamental problem in dynamics. This paper describes a time series method of detecting and quantifying changes in these parameters for a ten degree-of-freedom bilinear system excited by narrow band random noise. The method partitions the state space and computes mode frequencies and mode shapes for each region. Different regions of the space may exhibit different mode shapes, allowing diagnosis of stiffness changes at structural discontinuities. The method is useful for detecting changes in the properties of joints in mechanical systems or for detection of damage as the properties of a structure change during use.

Electrical breakdown in thin oxides is assessed by a new bias-temperature ramp technique. No significant effect of radiation exposure on breakdown is observed for high quality thermal and nitrided oxides, up to 20 Mrad(SiO{sub 2}).

Underdoped high temperature superconductors (HTS) exhibit a normal state for energies E > E{sub g} and/or temperatures T > T{sub 0}, and a pseudogap in their electronic spectrum for E < E{sub g} and/or T{sub 0} > T > {Tc}. Strikingly similar behavior occurs in the transition metal dichalcogenides (TMD) 2H-MX{sub 2}, where M = Ta, Nb, and X = S, Se, both in the normal (T > T{sub 0}) and in the incommensurate charge-density wave (T{sub ICDW} > T > T{sub c}) states. Such strikingly similar behavior has also been seen in the organic layered superconductors (OLS) {kappa}-(ET){sub 2}X, where ET is bis(ethylenedithio)tetrathiafulvalene, and X = Cu[N(CN){sub 2}]Br, and Cu(SCN){sub 2}, both in the normal region T > T{sub SDW} > {Tc} and in the spin-density wave region T{sub SDW} > T > T{sub c}. In all three materials classes, the anomalous transport and thermodynamic properties associated with the pseudogap or density-wave regime are completely independent of the applied magnetic field strength, whereas the same properties below {Tc} are all strongly field-dependent. Hence, the authors propose that the pseudogap in the HTS arises from charge- and/or spin-density waves, and not from either superconducting fluctuations or preformed charged quasiparticle pairs.

The authors report Q-switched operation from an electrically-injected monolithic coupled-resonator structure which consists of an active cavity with InGaAs quantum wells optically coupled to a passive cavity. The passive cavity contains a bulk GaAs region which is reverse-biased to provide variable absorption at the lasing wavelength of 990 nm. Cavity coupling is utilized to effect large changes in output intensity with only very small changes in passive cavity absorption. The device is shown to produce pulses as short as 150 ps at repetition rates as high 4 GHz. A rate equation approach is used to model the Q-switched operation yielding good agreement between the experimental and theoretical pulse shape. Small-signal frequency response measurements also show a transition from a slower ({approximately} 300 MHZ) forward-biased modulation regime to a faster ({approximately} 2 GHz) modulation regime under reverse-bias operation.

This work addresses the issue of statistical model updating and correlation. The updating procedure is formulated to improve the predictive quality of a structural model by minimizing out-of-balance modal forces. It is shown how measurement and modeling uncertainties can be taken into account to provide not only the correlated model but also the associated confidence levels. Hence, a Bayesian parameter estimation technique is derived and its numerical implementation is discussed. Two demonstration examples that involve test-analysis correlation with real test data are presented. First, the validation of an engine cradle model used in the automotive industry shows how the design's uncertainties can be reduced via model updating. The second example consists of employing test-analysis correlation for identifying the degree of nonlinearity of the LANL 8-DOF testbed.

Simulation models of a variable-speed, fixed-pitch wind turbine were investigated to evaluate the feasibility of constraining rotor speed and power output without the benefit of active aerodynamic control devices. A strategy was postulated to control rotational speed by specifying the demanded generator torque. By controlling rotor speed in relation to wind speed, the aerodynamic power extracted by the blades from the wind was manipulated. Specifically, the blades were caused to stall in high winds. In low and moderate winds, the demanded generator torque and the resulting rotor speed were controlled to cause the wind turbine to operate near maximum efficiency. Using the developed models, simulations were conducted of operation in turbulent winds. Results indicated that rotor speed and power output were well regulated. Preliminary investigations of system dynamics showed that, compared to fixed-speed operation, variable-speed operation caused cyclic loading amplitude to be reduced for the turbine blades and low-speed shaft and slightly increased for the tower loads. This result suggests a favorable impact on fatigue life from implementation of the proposed control strategy.

Solar Two was a collaborative, cost-shared project between eleven US industry and utility partners and the U. S. Department of Energy to validate molten-salt power tower technology. The Solar Two plant, located east of Barstow, CA, was comprised of 1926 heliostats, a receiver, a thermal storage system and a steam generation system. Molten nitrate salt was used as the heat transfer fluid and storage media. The steam generator powered a 10 MWe, conventional Rankine cycle turbine. Solar Two operated from June 1996 to April 1999. The major objective of the test and evaluation phase of the project was to validate the technical characteristics of a molten salt power tower. This paper describes the significant results from the test and evaluation activities.

In this study, the authors studied simultaneous and intermittent electron irradiation effects on bubble growth in a simple sodium borosilicate glass during Xe ion implantation at 200 C. Simultaneous electron irradiation increases the average bubble size in the glass. This enhanced diffusion is also shown by the migration of Xe from bubbles into the matrix when the sample is irradiated by an electron beam after the Xe implantation.

This paper summarizes the various methods that have been used to excited bridge structures during dynamic testing. The excitation methods fall into the general categories of ambient excitation methods and measured-input excitation methods. During ambient excitation the input to the bridge is not directly measured. In contrast, as the category label implies, measured-input excitations are usually applied at a single location where the force input to the structure can be monitored. Issues associated with using these various types of measurements are discussed along with a general description of the various excitation methods.

XPS studies and first principles calculations compare Cu adsorption on heavily hydroxylated sapphire (0001) with a dehydroxylated surface produced by Ar{sup +} sputtering followed by annealing in O{sub 2}. Annealing a cleaned sapphire sample with an O{sub 2} partial pressure of {approximately}5 x 10{sup {minus}6} Torr removes most contaminants, but leaves a surface with {approximately}0.4ML carbon and {approximately}0.4ML OH. Subsequent light (6 min.) Ar ion sputtering at 1 KeV reduces the carbon to undetectable levels but does not dehydroxylate the surface. Further sputtering at higher Ar ion excitation energies (>2 KeV) partially dehydroxylates the surface, while 5 KeV Ar ion sputtering creates oxygen vacancies in the surface region. Further annealing in O{sub 2} repairs the oxygen vacancies in the top layers but those beneath the surface remain. Deposition of Cu on the hydroxylated surface at 300 K results in a maximum Cu(I) coverage of {approximately}0.35 ML, in agreement with theoretical predictions.

This research aims at formulating criteria for measuring the correlation between test data and finite element results for nonlinear, transient dynamics. After reviewing the linear case and illustrating the limitations of modal-based updating when it is applied to nonlinear experimental data, simple time-domain, test-analysis correlation metrics are proposed. Two implementations are compared: the conventional least-squares technique and the Principal Component Decomposition that correlates subspaces rather than individual time-domain responses. Illustrations and discussions are provided using the LANL 8-DOF system, an experimental testbed for validating nonlinear data correlation and model updating techniques.

In this paper, the authors summarize recent work in which they demonstrate that the Compton subprocess, q + g {r_arrow} {gamma}* + q also dominates the Drell-Yan cross section in polarized and unpolarized proton-proton reactions for values of the transverse momentum Q{sub T} of the pair that are larger than roughly half of the pair mass Q, Q{sub T} > Q/2. The Drell-Yan process is therefore a valuable, heretofore overlooked, independent source of constraints on the spin-averaged and spin-dependent gluon densities. Although the Drell-Yan cross section is smaller than the prompt photon cross section, massive lepton pair production is cleaner theoretically since long-range fragmentation contributions are absent as are the experimental and theoretical complications associated with isolation of the real photon. Moreover, the dynamics of spin-dependence in hard-scattering processes is a sufficiently complex topic, and its understanding at an early stage in its development, that several defensible approaches for extracting polarized parton densities deserve to be pursued with the expectation that consistent results must emerge.