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This work briefly summarizes the current status of the V and V Program at LLNL regarding goals, methods, timelines, and issues for Verification and Validation (V and V) with Uncertainty Quantification (UQ). The goals are to evaluate various V and V methods, to apply them to computational simulation analyses, and integrate them into methods for Quantitative Certification techniques for the nuclear stockpile. Methods include qualitative and quantitative V and V processes with numerical values for both (qualitative) V and V Level, and (quantitative) validation statements with confidence-bounded uncertainty bands. They describe the critical nature of high quality analyses with quantified V and V, and the essential role of V and V and UQ at specified Confidence levels in evaluating system certification status. Only with quantitative validation statements can rational tradeoffs of various scenarios be made.

Contact modeling is still one of the most difficult aspects of nonlinear implicit structural analysis. Most 3D contact algorithms employed today use node-on-segment approaches for contacting dissimilar meshes. Two pass node-on-segment contact approaches have the well known deficiency of locking due to over constraint. Furthermore, node-on-segment approaches suffer when individual nodes slide out of contact at contact surface boundaries or when contacting nodes slide from facet to facet. This causes jumps in the contact forces due to the discrete nature of the constraint enforcement and difficulties in convergence for implicit solution techniques. In a previous work, we developed a segment-to-segment contact approach based on the mortar method that was applicable to large deformation mechanics. The approach proved extremely robust since it eliminated the overconstraint which caused ''locking'' and provided smooth force variations in large sliding. Here, we extend this previous approach in to treat frictional contact problems. The proposed approach is then applied to several challenging frictional contact problems which demonstrate its effectiveness.

Time Resolved X-Ray Diffraction (TRXRD) measurements are made in the Heat Affected Zone (HAZ) of 2205 Duplex Stainless Steel (DSS) spot welds. Both the {gamma} {yields} {delta} and {delta} {yields} {gamma} transformations are monitored as a function of time during the rapid spot weld heating and cooling cycles. These observations are then correlated with calculated thermal cycles. Where the peak temperatures are highest ({approx}1342 C), the {gamma} {yields} {delta} transformation proceeds to completion, leaving a ferritic microstructure at the end of heating. With lower peak temperatures, the {gamma} {yields} {delta} transformation proceeds to only partial completion, resulting in a microstructure containing both transformed and untransformed austenite. Further analyses of the individual diffraction patterns show shifts in the peak positions and peak widths as a function of both time and temperature. In addition, these changes in the peak characteristics are correlated with measured changes in the ferrite volume fraction. Such changes in the peak positions and widths during the {gamma} {yields} {delta} transformation provide an indication of changes occurring in each phase. These changes in peak properties can be correlated with the diffusion of nitrogen and other substitutional alloying elements, which are recognized as the primary mechanisms for this transformation. Upon …

We discuss linear and nonlinear optical wave propagation in a left-handed medium (LHM) or medium of negative refraction (NRM). We use the approach of characterizing the medium response totally by a generalized electric polarization (with a dielectric permittivity {tilde {var_epsilon}}(w, {rvec k})) that can be decomposed into a curl and a non-curl part. The description has a one-to-one correspondence with the usual approach characterizing the LHM response with a dielectric permittivity {var_epsilon}<0 and a magnetic permeability {mu}<0. The latter approach is less physically transparent in the optical frequency region because the usual definition of magnetization loses its physical meaning. Linear wave propagation in LHM or NRM is characterized by negative refraction and negative group velocity that could be clearly manifested by ultra-short pulse propagation in such a medium. Nonlinear optical effects in LHM can be predicted from the same calculations adopted for ordinary media using our general approach.

We report a spin-unrestricted density functional theory (DFT) solution at the symmetric dimer structure for cluster models of Si(100). With this solution, it is shown that the symmetric structure is a minimum on the DFT potential energy surface, although higher in energy than the buckled structure. In restricted DFT calculations the symmetric structure is a saddle point connecting the two buckled minima. To further assess the effects of electron correlation on the relative energies of symmetric versus buckled dimers on Si(100), multireference second order perturbation theory (MRMP2) calculations are performed on these DFT optimized minima. The symmetric structure is predicted to be lower in energy than the buckled structure via MRMP2, while the reverse order is found by DFT. The implications for recent experimental interpretations are discussed.

The PRISM piecewise solution mapping procedure, in which the solution of the chemical kinetic ODE system is parameterized with quadratic polynomials, is applied to CFD simulations of H{sub 2}+air combustion. Initial cost of polynomial construction is expensive, but it is recouped as the polynomial is reused. We present two methods that help us to parameterize only in places that will ultimately have high reuse. We also implement non-orthogonal Gosset factorial designs, that reduce polynomial construction costs by a factor of two over previously used orthogonal factorial designs.

Quantitative analysis of uptake and washout of cardiac single photon emission computed tomography (SPECT) radiopharmaceuticals has the potential to provide better contrast between healthy and diseased tissue, compared to conventional reconstruction of static images. Previously, we used B-splines to model time-activity curves (TACs) for segmented volumes of interest and developed fast least-squares algorithms to estimate spline TAC coefficients and their statistical uncertainties directly from dynamic SPECT projection data. This previous work incorporated physical effects of attenuation and depth-dependent collimator response. In the present work, we incorporate scatter and use a computer simulation to study how scatter modeling affects directly estimated TACs and subsequent estimates of compartmental model parameters. An idealized single-slice emission phantom was used to simulate a 15 min dynamic {sup 99m}Tc-teboroxime cardiac patient study in which 500,000 events containing scatter were detected from the slice. When scatter was modeled, unweighted least-squares estimates of TACs had root mean square (RMS) error that was less than 0.6% for normal left ventricular myocardium, blood pool, liver, and background tissue volumes and averaged 3% for two small myocardial defects. When scatter was not modeled, RMS error increased to average values of 16% for the four larger volumes and 35% for the small …

Fracture and fatigue-crack growth properties are examined for a series of Mo-Mo3Si-Mo5SiB2 containing alloys, which utilize a continuous a-Mo matrix to achieve unprecedented room-temperature fracture resistance (>20 MPaAm). Mechanistically, these properties are explained in terms of toughening by crack trapping and crack bridging by the more ductile a-Mo phase.

The Eighth International Conference on Synchrotron Radiation (SRI 2003) ended its August 25-28 run at the Yerba Buena Center for the Arts in San Francisco with almost as many in attendance as at the beginning. The steady attendance was surely a tribute to the quality of the program and the excitement it generated among the more than 700 registrants who gathered for four days of plenary talks, parallel sessions, and posters, as well as facility tours of the ALS and SSRL on August 29.

Historically, most energy models were reasonably equipped to assess the impact of a subsidy or change in taxation, but are often insufficient to assess the impact of more innovative policy instruments. We evaluate the models used to assess future energy use, focusing on industrial energy use. We explore approaches to engineering-economic analysis that could help improve the realism and policy relevance of engineering-economic modeling frameworks. We also explore solutions to strengthen the policy usefulness of engineering-economic analysis that can be built from a framework of multi-disciplinary cooperation. We focus on the so-called ''engineering-economic'' (or ''bottom-up'') models, as they include the amount of detail that is commonly needed to model policy scenarios. We identify research priorities for the modeling framework, technology representation in models, policy evaluation and modeling of decision-making behavior.

Using Corbino samples they have observed oscillatory dc conductance in a high-mobility two-dimensional electron system when it is subjected to crossed microwave and magnetic fields. At the strongest of the oscillation minima the conductance is found to be vanishingly small, indicating a macroscopic insulating state associated with this minimum. With increasing voltage bias, a crossover from Ohmic to electron-heating regime is observed.

Since September 11, 2001, much effort has been devoted to the development of new and improved means for the detection and prevention of the clandestine transport of special nuclear material (SNM, i.e. {sup 235}U or {sup 239}Pu) and other materials for producing weapons of mass destruction. In a recent Brief Communication, Borozdin et al. showed that cosmic-ray muons could be used to image dense objects inside containers. Here we describe a method for unequivocally identifying SNM in large seagoing containers. Our method is based on the fact that neutron-induced fission of {sup 235}U or {sup 239}Pu is followed by {beta} decays of short-lived fission fragments during which large numbers of high-energy {gamma} rays (above 3000 keV) are emitted. These {gamma} rays have energies above those of natural {gamma} background, are emitted with significantly greater intensity per fission than {beta}-delayed neutrons, have much higher probabilities of escaping hydrogenous cargo loadings than neutrons, and their energy spectra and time dependencies provide a unique signature of SNM. To demonstrate the main properties of high-energy delayed {gamma} rays, we produced neutrons by bombarding a 1-inch thick water-cooled Be target with 16-MeV deuterons from Lawrence Berkeley National Laboratory's 88-Inch Cyclotron. Neutrons were moderated using steel …

In this paper we classify hydrate deposits in three classes according to their geologic and reservoir conditions, and discuss the corresponding production strategies. Simple depressurization appears promising in Class 1 hydrates, but its appeal decreases in Class 2 and Class 3 hydrates. The most promising production strategy in Class 2 hydrates involves combinations of depressurization and thermal stimulation, and is clearly enhanced by multi-well production-injection systems. The effectiveness of simple depressurization in Class 3 hydrates is limited, and thermal stimulation (alone or in combination with depressurization) through single well systems seems to be the strategy of choice in such deposits.

A series of time-lapse seismic cross well and single well experiments were conducted in a diatomite reservoir to monitor the injection of CO{sub 2} into a hydrofracture zone, using P- and S-wave data. During the first phase the set of seismic experiments were conducted after the injection of water into the hydrofrac-zone. The set of seismic experiments was repeated after a time period of 7 months during which CO{sub 2} was injected into the hydrofractured zone. The issues to be addressed ranged from the detectability of the geologic structure in the diatomic reservoir to the detectability of CO{sub 2} within the hydrofracture. During the pre-injection experiment, the P-wave velocities exhibited relatively low values between 1700-1900 m/s, which decreased to 1600-1800 m/s during the post-injection phase (-5 percent). The analysis of the pre-injection S-wave data revealed slow S-wave velocities between 600-800 m/s, while the post-injection data revealed velocities between 500-700 m/s (-6 percent). These velocity estimates produced high Poisson ratios between 0.36 and 0.46 for this highly porous ({approx} 50 percent) material. Differencing post- and pre-injection data revealed an increase in Poisson ratio of up to 5 percent. Both, velocity and Poisson estimates indicate the dissolution of CO{sub 2} in the …

The Savannah River Site (SRS) Environmental Management (EM) nuclear material stabilization program includes the dissolution and processing of legacy materials from various DOE sites. The SRS canyon facilities were designed to dissolve and process spent nuclear fuel and targets. As the processing of typical materials is completed, unusual and exotic nuclear materials are being targeted for stabilization. These unusual materials are often difficult to dissolve using historical flowsheet conditions and require more aggressive dissolver solutions. Solids must be prevented in the dissolver to avoid expensive delays associated with the build-up of insoluble material in downstream process equipment. Moreover, it is vital to prevent precipitation of all solids, especially plutonium-bearing solids, since their presence in dissolver solutions raises criticality safety issues. To prevent precipitation of undesirable solids in aqueous process solutions, the accuracy of computer models to predict precipitate formation requires incorporation of plant specific fundamental data. These data are incorporated into a previously developed thermodynamic computer program that applies the Pitzer correlation to derive activity coefficient parameters. This improved predictive model will reduce unwanted precipitation in process solutions at DOE sites working with EM nuclear materials in aqueous solutions.

This study used an experimental model of a constructed wetland to evaluate the risk of mercury methylation when the soil is amended with sulfate. The model was planted with Schoenoplectus californicus, and the sediments were varied during construction to provide a control and two levels of sulfate treatment.

A measurement of the t{bar t} cross section at {radical}s = 1.96 TeV is carried out on data samples of {approx}40 pb{sup -1} in dilepton channels (e{mu}, ee and {mu}{mu}) and lepton+jets channels using two complementary approaches: a fully topological analysis and a soft-muon-tag. Overall, 17 events are observed with an expected background of 6.5 {+-} 0.6. This excess corresponds to an observation probability of three standard deviations and the measured t{bar t} cross section is: {sigma}{sub p}{bar p}{yields} t{bar t} = 8.5{sub -3.6}{sup +4.5} (stat) {sub -3.5}{sup +6.3} (sys) {+-} 0.8 (lumi) pb.

After the LHC operates for several years at nominal parameters, it will be necessary to upgrade it for higher luminosity. Replacing the low-{beta} insertions with a higher performance design based on advanced superconducting magnets is one of the most straightforward steps in this direction. Preliminary studies show that, with magnet technology that is expected to be developed by early in the next decade, a factor of 2 to 5 reduction in {beta}* could be achieved with new insertions, as part of an upgrade aimed at a factor of 10 luminosity increase. In this paper we survey several possible second generation LHC interaction regions designs, which address the expected limitations on LHC performance imposed by the baseline insertions.

No abstract prepared.

Conservation supply curves are a common tool in economic analysis. As such, they provide an important opportunity to include a non-linear representation of technology and technological change in economy-wide models. Because supply curves are closely related to production isoquants, we explore the possibility of using bottom-up technology assessments to inform top-down representations of energy models of the U.S. economy. Based on a recent report by LBNL and ACEEE on emerging industrial technologies within the United States, we have constructed a supply curve for 54 such technologies for the year 2015. Each of the selected technologies has been assessed with respect to energy efficiency characteristics, likely energy savings by 2015, economics, and environmental performance, as well as needs for further development or implementation of the technology. The technical potential for primary energy savings of the 54 identified technologies is equal to 3.54 Quads, or 8.4 percent of the assume d2015 industrial energy consumption. Based on the supply curve, assuming a discount rate of 15 percent and 2015 prices as forecasted in the Annual Energy Outlook2002, we estimate the economic potential to be 2.66 Quads - or 6.3 percent of the assumed forecast consumption for 2015. In addition, we further estimate how …

We present a second-order Godunov algorithm for multidimensional, ideal MHD. Our algorithm is based on the unsplit formulation of Colella (J. Comput. Phys. vol. 87, 1990), with all of the primary dependent variables centered at the same location. To properly represent the divergence-free condition of the magnetic fields, we apply a discrete projection to the intermediate values of the field at cell faces, and apply a filter to the primary dependent variables at the end of each time step. We test the method against a suite of linear and nonlinear tests to ascertain accuracy and stability of the scheme under a variety of conditions. The test suite includes rotated planar linear waves, MHD shock tube problems, low-beta flux tubes, and a magnetized rotor problem. For all of these cases, we observe that the algorithm is second-order accurate for smooth solutions, converges to the correct weak solution for problems involving shocks, and exhibits no evidence of instability or loss of accuracy due to the possible presence of non-solenoidal fields.

Two cans containing plutonium bearing materials were found during radiography surveillance activities to be bulged. The cans had been stored in DOT 6M shipping containers at the Savannah River Site. The material in the first can (Item CZA96-179) was packaged can/bag/can configuration with the inner and outer cans being crimp sealed. The crimp sealed innermost can was clearly deformed from the radiography picture taken for surveillance purposes. This material had been stored in the shipping container since the mid 1970s. The second can (Item 50014440) contained plutonium bearing material of a different origin. The material had been repackaged at the Savannah River Site in the mid 1990's, and the repackaged can was stored in a 6M shipping drum. A special puncturing tool, which secured the can and allowed for a very controlled puncture of both outer and inner cans was used in a glovebox. The glovebox has a dry air system and an argon supply. The puncturing tool utilized a non-sparking punch and an argon purge. The cans were repackaged into filtered outer cans. A description of the puncturing tool, repackaging activities, and of the materials will be provided.

Novel CMOS active pixel structures for vertex detector applications have been designed and tested. The overriding goal of this work is to increase the signal to noise ratio of the sensors and readout circuits. A large-area native epitaxial silicon photogate was designed with the aim of increasing the charge collected per struck pixel and to reduce charge diffusion to neighboring pixels. The photogate then transfers the charge to a low capacitance readout node to maintain a high charge to voltage conversion gain. Two techniques for noise reduction are also presented. The first is a per-pixel kT/C noise reduction circuit that produces results similar to traditional correlated double sampling (CDS). It has the advantage of requiring only one read, as compared to two for CDS, and no external storage or subtraction is needed. The technique reduced input-referred temporal noise by a factor of 2.5, to 12.8 e{sup -}. Finally, a column-level active reset technique is explored that suppresses kT/C noise during pixel reset. In tests, noise was reduced by a factor of 7.6 times, to an estimated 5.1 e{sup -} input-referred noise. The technique also dramatically reduces fixed pattern (pedestal) noise, by up to a factor of 21 in our tests. …