Continuous Time Random Walk Particle Tracking Algorithm: Application to Contaminant Transport at SSFL
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MRS Bulletin
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Nature Materials
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SIAM Journal on Numerical Analysis
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J. Comput. Phys.
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Vertical wafer stacking will enable a wide variety of new system architectures by enabling the integration of dissimilar technologies in one small form factor package. With this LDRD, we explored the combination of processes and integration techniques required to achieve stacking of three or more layers. The specific topics that we investigated include design and layout of a reticle set for use as a process development vehicle, through silicon via formation, bonding media, wafer thinning, dielectric deposition for via isolation on the wafer backside, and pad formation.
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Journal of Computational Biology
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This report summarizes the accomplishments of a Laboratory-Directed Research and Development (LDRD) project focused on developing and applying new x-ray spectroscopies to understand and improve electric charge transfer in electrochemical devices. Our approach studies the device materials as they function at elevated temperature and in the presence of sufficient gas to generate meaningful currents through the device. We developed hardware and methods to allow x-ray photoelectron spectroscopy to be applied under these conditions. We then showed that the approach can measure the local electric potentials of the materials, identify the chemical nature of the electrochemical intermediate reaction species and determine the chemical state of the active materials. When performed simultaneous to traditional impedance-based analysis, the approach provides an unprecedented characterization of an operating electrochemical system.
Nature Materials
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Two versions of a current driver for single-turn, single-use 1-cm diameter magnetic field coils have been built and tested at the Sandia National Laboratories for use with cluster fusion experiments at the University of Texas in Austin. These coils are used to provide axial magnetic fields to slow radial loss of electrons from laser-produced deuterium plasmas. Typical peak field strength achievable for the two-capacitor system is 50 T, and 200 T for the ten-capacitor system. Current rise time for both systems is about 1.7 {mu}s, with peak current of 500 kA and 2 MA, respectively. Because the coil must be brought to the laser, the driver needs to be portable and drive currents in vacuum. The drivers are complete but laser-plasma experiments are still in progress. Therefore, in this report, we focus on system design, initial tests, and performance characteristics of the two-capacitor and ten-capacitors systems. The questions of whether a 200 T magnetic field can retard the breakup of a cluster-fusion plasma, and whether this field can enhance neutron production have not yet been answered. However, tools have been developed that will enable producing the magnetic fields needed to answer these questions. These are a two-capacitor, 400-kA system that was delivered to the University of Texas in 2010, and a 2-MA ten-capacitor system delivered this year. The first system allowed initial testing, and the second system will be able to produce the 200 T magnetic fields needed for cluster fusion experiments with a petawatt laser. The prototype 400-kA magnetic field driver system was designed and built to test the design concept for the system, and to verify that a portable driver system could be built that delivers current to a magnetic field coil in vacuum. This system was built copying a design from a fixed-facility, high-field machine at LANL, but made to be portable and to use a Z-machine-like vacuum insulator and vacuum transmission line. This system was sent to the University of Texas in Austin where magnetic fields up to 50 T have been produced in vacuum. Peak charge voltage and current for this system have been 100 kV and 490 kA. It was used this last year to verify injection of deuterium and surrogate clusters into these small, single-turn coils without shorting the coil. Initial test confirmed the need to insulate the inner surface of the coil, which requires that the clusters must be injected through small holes in an insulator. Tests with a low power laser confirmed that it is possible to inject clusters into the magnetic field coils through these holes without destroying the clusters. The university team also learned the necessity of maintaining good vacuum to avoid insulator, transmission line, and coil shorting. A 200-T, 2 MA system was also constructed using the experience from the first design to make the pulsed-power system more robust. This machine is a copy of the prototype design, but with ten 100-kV capacitors versus the two used in the prototype. It has additional inductance in the switch/capacitor unit to avoid breakdown seen in the prototype design. It also has slightly more inductance at the cable connection to the vacuum chamber. With this design we have been able to demonstrate 1 MA current into a 1 cm diameter coil with the vacuum chamber at air pressure. Circuit code simulations, including the additional inductance with the new design, agree well with the measured current at a charge voltage of 40 kV with a short circuit load, and at 50 kV with a coil. The code also predicts that with a charge voltage of 97 kV we will be able to get 2 MA into a 1 cm diameter coil, which will be sufficient for 200 T fields. Smaller diameter or multiple-turn coils will be able to achieve even higher fields, or be able to achieve 200-T fields with lower charge voltage. Work is now proceeding at the university under separate funding to verify operation at the 2-MA level, and to address issues of debris mitigation, measurement of the magnetic field, and operation in vacuum. We anticipate operation at full current with single-turn, magnetic field coils this fall, with 200 T experiments on the Texas Petawatt laser in the spring of 2012.
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International Journal of Plasticity
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Peridynamics is a nonlocal extension of classical continuum mechanics. The discrete peridynamic model has the same computational structure as a molecular dynamics model. This document provides a brief overview of the peridynamic model of a continuum, then discusses how the peridynamic model is discretized within LAMMPS. An example problem is also included.
LIME is a small software package for creating multiphysics simulation codes. The name was formed as an acronym denoting 'Lightweight Integrating Multiphysics Environment for coupling codes.' LIME is intended to be especially useful when separate computer codes (which may be written in any standard computer language) already exist to solve different parts of a multiphysics problem. LIME provides the key high-level software (written in C++), a well defined approach (with example templates), and interface requirements to enable the assembly of multiple physics codes into a single coupled-multiphysics simulation code. In this report we introduce important software design characteristics of LIME, describe key components of a typical multiphysics application that might be created using LIME, and provide basic examples of its use - including the customized software that must be written by a user. We also describe the types of modifications that may be needed to individual physics codes in order for them to be incorporated into a LIME-based multiphysics application.
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A dynamic assessment model has been developed for evaluating the potential algal biomass and extracted biocrude productivity and costs, using nutrient and water resources available from waste streams in four regions of Canada (western British Columbia, Alberta oil fields, southern Ontario, and Nova Scotia). The purpose of this model is to help identify optimal locations in Canada for algae cultivation and biofuel production. The model uses spatially referenced data across the four regions for nitrogen and phosphorous loads in municipal wastewaters, and CO{sub 2} in exhaust streams from a variety of large industrial sources. Other data inputs include land cover, and solar insolation. Model users can develop estimates of resource potential by manipulating model assumptions in a graphic user interface, and updated results are viewed in real time. Resource potential by location can be viewed in terms of biomass production potential, potential CO{sub 2} fixed, biocrude production potential, and area required. The cost of producing algal biomass can be estimated using an approximation of the distance to move CO{sub 2} and water to the desired land parcel and an estimation of capital and operating costs for a theoretical open pond facility. Preliminary results suggest that in most cases, the CO{sub 2} resource is plentiful compared to other necessary nutrients (especially nitrogen), and that siting and prospects for successful large-scale algae cultivation efforts in Canada will be driven by availability of those other nutrients and the efficiency with which they can be used and re-used. Cost curves based on optimal possible siting of an open pond system are shown. The cost of energy for maintaining optimal growth temperatures is not considered in this effort, and additional research in this area, which has not been well studied at these latitudes, will be important in refining the costs of algal biomass production. The model will be used by NRC-IMB Canada to identify promising locations for both demonstration and pilot-scale algal cultivation projects, including the production potential of using wastewater, and potential land use considerations.
The essential characteristics of the issue of radioactive waste management can be conceptualized as complex, with a variety of facets and uncertainty. These characteristics tend to cause people to perceive the issue of radioactive waste management as a 'risk'. This study was initiated in response to a desire to understand the perceptions of risk that the Korean public holds towards radioactive waste and the relevant policies and policy-making processes. The study further attempts to identify the factors influencing risk perceptions and the relationships between risk perception and social acceptance.
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Linear Algebra and its Applications
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Geophysical and Astrophysical Fluid Dynamics
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Journal of the American Chemical Society
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Scientific Programming
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Journal of Sound and Vibration
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Chemical Geology
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Scientific computing-driven discoveries are frequently driven from workflows that use persistent storage as a staging area for data between operations. With the bad and progressively worse bandwidth vs. data size issues as we continue towards exascale, eliminating persistent storage through techniques like data staging will both enable these workflows to continue online, but also enable more interactive workflows reducing the time to scientific discoveries. Data staging has shown to be an effective way for applications running on high-end computing platforms to offload expensive I/O operations and to manage the tremendous amounts of data they produce. This data staging approach, however, lacks the ACID style guarantees traditional straight-to-disk methods provide. Distributed transactions are a proven way to add ACID properties to data movements, however distributed transactions follow 1xN data movement semantics, where our highly parallel HPC environments employ MxN data movement semantics. In this paper we present a novel protocol that extends distributed transaction terminology to include MxN semantics which allows our data staging areas to benefit from ACID properties. We show that with our protocol we can provide resilient data staging with a limited performance penalty over current data staging implementations.
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In this report, we proposed, examined and implemented approaches for performing efficient uncertainty quantification (UQ) in climate land models. Specifically, we applied Bayesian compressive sensing framework to a polynomial chaos spectral expansions, enhanced it with an iterative algorithm of basis reduction, and investigated the results on test models as well as on the community land model (CLM). Furthermore, we discussed construction of efficient quadrature rules for forward propagation of uncertainties from high-dimensional, constrained input space to output quantities of interest. The work lays grounds for efficient forward UQ for high-dimensional, strongly non-linear and computationally costly climate models. Moreover, to investigate parameter inference approaches, we have applied two variants of the Markov chain Monte Carlo (MCMC) method to a soil moisture dynamics submodel of the CLM. The evaluation of these algorithms gave us a good foundation for further building out the Bayesian calibration framework towards the goal of robust component-wise calibration.
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Rheology Bulletin
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Journal of Applied Mechanics
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Physical Review Letters
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Optics Express
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