Publications

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Eight cycles in a coordinated set of projects for Solar Thermochemical Cycles for Hydrogen production (STCH) were self-evaluated for the DOE-EERE Fuel Cell Technologies Program at a Working Group Meeting on October 8 and 9, 2008. This document reports the initial selection process for development investment in STCH projects, the evaluation process meant to reduce the number of projects as a means to focus resources on development of a few most-likely-to-succeed efforts, the obstacles encountered in project inventory reduction and the outcomes of the evaluation process. Summary technical status of the projects under evaluation is reported and recommendations identified to improve future project planning and selection activities.

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Today, researchers, engineers, and policy makers are seeking ways to meet the world's growing demand for energy while addressing critical issues such as energy security, reliability, and sustainability. Many believe that distributed generators operating within a microgrid have the potential to address most of these issues. Sandia National Laboratories has developed a concept called energy surety in which five of these 'surety elements' are simultaneously considered: energy security, reliability, sustainability, safety, and cost-effectiveness. The surety methodology leads to a new microgrid design that we call an energy surety microgrid (ESM). This paper discusses the unique control requirement needed to produce a microgrid system that has high levels of surety, describes the control system from the most fundamental level through a real-world example, and discusses our ideas and concepts for a complete system.

An updated algorithm for the EXTRAD 4100S extremity dosimeter has been derived. This algorithm optimizes the binning of dosimeter element ratios and uses a quadratic function to determine the response factors for low response ratios. This results in lower systematic bias across all test categories and eliminates the need for the 'red strap' algorithm that was used for high energy beta/gamma emitting radionuclides. The Radiation Protection Dosimetry Program (RPDP) at Sandia National Laboratories uses the Thermo Fisher EXTRAD 4100S extremity dosimeter, shown in Fig 1.1 to determine shallow dose to the extremities of potentially exposed individuals. This dosimeter consists of two LiF TLD elements or 'chipstrates', one of TLD-700 ({sup 7}Li) and one of TLD-100 (natural Li) separated by a tin filter. Following readout and background subtraction, the ratio of the responses of the two elements is determined defining the penetrability of the incident radiation. While this penetrability approximates the incident energy of the radiation, X-rays and beta particles exist in energy distributions that make determination of dose conversion factors less straightforward in their determination.

The deformation, fracture mechanisms, and the fracture strength of individual GaN nanowires were measured in real time using a transmission electron microscope-scanning probe microscope (TEM-SPM) platform. Surface mediated plasticity, such as dislocation nucleation from a free surface and plastic deformation between the SPM probe (the punch) and the nanowire contact surface were observed in situ. Although local plasticity was observed frequently, global plasticity was not observed, indicating the overall brittle nature of this material. Dislocation nucleation and propagation is a precursor before the fracture event, but the fracture surface shows brittle characteristic. The fracture surface is not straight but kinked at (10-10) or (10-11) planes. Dislocations are generated at a stress near the fracture strength of the nanowire, which ranges from 0.21 to 1.76 GPa. The results assess the mechanical properties of GaN nanowires and may provide important insight into the design of GaN nanowire devices for electronic and optoelectronic applications. © 2011 American Chemical Society.

We describe the design of pixelated filter arrays for hyperspectral monitoring of CO2 and H2O absorption in the midwave infrared (centered at 4.25μm and 5.15μm, respectively) using resonant subwavelength gratings (RSGs), also called guided-mode resonant filters (GMRFs). For each gas, a hyperspectral filter array of very narrowband filters is designed that spans the absorption band on a single substrate. A pixelated geometry allows for direct registration of filter pixels to focal plane array (FPA) sensor pixels and for non-scanning data collection. The design process for narrowband, low-sideband reflective and transmissive filters within fabrication limitations will be discussed.

Microsystem-Enabled Photovoltaic (MEPV) cells allow solar PV systems to take advantage of scaling benefits that occur as solar cells are reduced in size. We have developed MEPV cells that are 5 to 20 microns thick and down to 250 microns across. We have developed and demonstrated crystalline silicon (c-Si) cells with solar conversion efficiencies of 14.9%, and gallium arsenide (GaAs) cells with a conversion efficiency of 11.36%. In pursuing this work, we have identified over twenty scaling benefits that reduce PV system cost, improve performance, or allow new functionality. To create these cells, we have combined microfabrication techniques from various microsystem technologies. We have focused our development efforts on creating a process flow that uses standard equipment and standard wafer thicknesses, allows all high-temperature processing to be performed prior to release, and allows the remaining post-release wafer to be reprocessed and reused. The c-Si cell junctions are created using a backside point-contact PV cell process. The GaAs cells have an epitaxially grown junction. Despite the horizontal junction, these cells also are backside contacted. We provide recent developments and details for all steps of the process including junction creation, surface passivation, metallization, and release.

A reduction procedure for joint models that was developed in earlier work is extended to allow for relative motion between surfaces, and the effect of this procedure on timestep issues is considered. A general one-dimensional structure containing a frictional interface is considered. Coulomb friction is approximated with nonlinear springs of large but finite stiffness. The system of equations describing this structure is reduced in a procedure similar to Guyan reduction by assuming that the system deforms only in the shapes that it takes when the interface is massless. The result of this procedure is that the dynamics associated with the interface region are removed from the analysis. Following the development of the reduction procedure, the reduced formulation is specialized to the case of a simple lap joint. A numerical example problem is considered in which both the full and reduced equations of motion are integrated over time. It is seen that, for the example problem considered, the reduction procedure results in tremendous computational savings with little loss of accuracy. Based on the results of the simple example problem, it appears that the proposed reduction procedure has potential to be an accurate and effective method of alleviating the timestep difficulties associated with direct finite element analysis of joints in structural dynamics applications. © 2011 American Society of Mechanical Engineers.

Circuit simulation tools (e.g., SPICE) have become invaluable in the development and design of electronic circuits in radiation environments. These codes are often employed to study the effect of many thousands of devices under transient current conditions. Device-scale simulation tools (e.g., MEDICI) are commonly used in the design of individual semiconductor components, but require computing resources that make their incorporation into a circuit code impossible for large-scale circuits. Analytic solutions to the ambipolar diffusion equation, an approximation to the carrier transport equations, may be used to characterize the transient currents at nodes within a circuit simulator. We present new transient 1D excess carrier density and photocurrent density solutions to the ambipolar diffusion equation for low-level radiation pulses that take into account a finite device geometry, ohmic fields outside the depleted region, and an arbitrary change in the carrier lifetime due to neutron irradiation or other effects. The solutions are specifically evaluated for the case of an abrupt change in the carrier lifetime during or after, a step, square, or piecewise linear radiation pulse. Noting slow convergence of the raw Fourier series for certain parameter sets, we use closed-form formulas for some of the infinite sums to produce 'partial closed-form' solutions for the above three cases. These 'partial closed-form' solutions converge with only a few tens of terms, which enables efficient large-scale circuit simulations.

Post-injection strategies aimed at reducing engine-out emissions of unburned hydrocarbons (UHC) were investigated in an optical heavy-duty diesel engine operating at a low-load, low-temperature combustion (LTC) condition with high dilution (12.7% intake oxygen) where UHC emissions are problematic. Exhaust gas measurements showed that a carefully selected post injection reduced engine-out load-specific UHC emissions by 20% compared to operation with a single injection in the same load range. High-speed in-cylinder chemiluminescence imaging revealed that without a post injection, most of the chemiluminescence emission occurs close to the bowl wall, with no significant chemiluminescence signal within 27 mm of the injector. Previous studies have shown that over-leaning in this near-injector region after the end of injection causes the local equivalence ratio to fall below the ignitability limit. With a carefully selected post-injection, mixtures close to the injector show significant chemiluminescence emission, indicating more complete combustion of those regions, likely due to increased local equivalence ratios. Simultaneous planar laser-induced fluorescence (PLIF) of OH with 284-nm excitation and PLIF of combined formaldehyde and poly aromatic hydrocarbons (PAH) with 355-nm excitation were employed to identify the regions of first- and second-stage ignition, as well as providing some indication of local equivalence ratios. The laser diagnostics show that without a post injection, regions close to the injector show formaldehyde fluorescence late in the cycle without detectable OH fluorescence, indicating that these regions do not achieve second-stage ignition, and therefore likely contribute to UHC emissions. Persistence of formaldehyde fluorescence late in the cycle is also consistent with fuel-lean mixtures. With a carefully selected post injection, strong OH fluorescence appears in the near-injector regions, indicating that they are likely enriched by the post-injection such that they reach second-stage ignition and more complete oxidation. The reduction observed in the exhaust UHC emission is therefore attributed to the enrichment mechanism of the near-injector regions by the close-coupled post-injection. © 2011 SAE International.

Homogeneous charge compression ignition (HCCI) combustion with fully premixed charge is severely limited at high-load operation due to the rapid pressure-rise rates (PRR) which can lead to engine knock and potential engine damage. Recent studies have shown that two-stage ignition fuels possess a significant potential to reduce the combustion heat release rate, thus enabling higher load without knock. This study focuses on three factors, engine speed, intake temperature, and fuel composition, that can affect the pre-ignition processes of two-stage fuels and consequently affect their performance with partial fuel stratification. A model fuel consisting of 73 vol.% isooctane and 27 vol.% of n-heptane (PRF73), which was previously compared against neat isooctane to demonstrate the superior performance of two-stage fuels over single-stage fuels with partial fuel stratification, was first used to study the effects of engine speed and intake temperature. The results for PRF73 show that increasing engine speed from 1200 to 1600 rpm causes almost no change in φ-sensitivity, which is defined by the advancement of combustion phasing for an increase in equivalence ratio. Consequently, the maximum combustion pressure rise rate (PRRmax) can be reduced substantially with partial fuel stratification at this higher speed as it was at 1200 rpm. In contrast, increasing intake temperature from 60°C to 174°C eliminates the low temperature heat release of PRF73. Despite the single-stage ignition at this temperature, PRF73 still shows a weak but definitive φ-sensitivity, likely due to the relatively strong intermediate temperature heat release before hot ignition. As a result, PRR max was reduced modestly with partial fuel stratification. This PRF73 result is distinctively different from that of isooctane at the same intake temperature. To study the importance of fuel composition, PRF73 is compared with a low-octane, gasoline-like distillate fuel, termed Hydrobate, which could be readily produced from petroleum feedstocks. With the similar HCCI reactivity to PRF73, Hydrobate shows little difference in φ-sensitivity and performs similarly with partial fuel stratification compared to PRF73. This result indicates that it is the overall fuel HCCI reactivity, rather than the exact fuel composition, that determines the φ-sensitivity and the consequent performance with partial fuel stratification. © 2011 SAE International.

The goal of the 7X performance testing was to assure Sandia National Laboratories, Cray Inc., and the Department of Energy that Red Storm would achieve its performance requirements which were defined as a comparison between ASCI Red and Red Storm. Our approach was to identify one or more problems for each application in the 7X suite, run those problems at multiple processor sizes in the capability computing range, and compare the results between ASCI Red and Red Storm. The first part of this report describes the two computer systems, the applications in the 7X suite, the test problems, and the results of the performance tests on ASCI Red and Red Storm. During the course of the testing on Red Storm, we had the opportunity to run the test problems in both single-core mode and dual-core mode and the second part of this report describes those results. Finally, we reflect on lessons learned in undertaking a major head-to-head benchmark comparison.

Microbial methane in sedimentary basins comprises approximately 20% of global natural gas resources, yet little is known about the environmental requirements and metabolic rates of these subsurface microbial communities. The Illinois Basin, located in the midcontinent of the United States, is an ideal location to investigate hydrogeochemical factors controlling methanogenesis as microbial methane accumulations occur: (1) in three organic-rich reservoirs of different geologic ages and organic matter types - Upper Devonian New Albany Shale (up to 900m depth), Pennsylvanian coals (up to 600m depth), and Quaternary glacial sediments (shallow aquifers); (2) across steep salinity gradients; and (3) with variable concentrations of SO42-. For all three organic-rich reservoirs aqueous geochemical conditions are favorable for microbial methanogenesis, with near neutral pH, SO42- concentrations <2mM, and Cl- concentrations <3M. Also, carbon isotopic fractionation of CH4, CO2, and DIC is consistent with microbial methanogenesis, and increased carbon isotopic fractionation with average reservoir depth corresponds to a decrease of groundwater flushing rates with average depth of reservoir. Plots of stable isotopes of water and Cl- show mixing between a brine endmember and freshwater, suggesting that meteoric groundwater recharge has affected all microbial methanogenic systems. Additionally, similar methanogenic communities are present in all three reservoirs with comparable cell counts (8.69E3-2.58E6cells/mL). TRFLP results show low numbers of archaea species with only two dominant groups of base pairs in coals, shale, and limestone aquifers. These results compare favorably with other methanogen-containing deep subsurface environments. Individual hydrogeochemical parameters that have a Spearman correlation coefficient greater than 0.3 to variations in methanogenic species include stable isotopes of water (δ18O and δD), type of substrate (i.e. coals versus shale), pH, and Cl- concentration. The matching of variations between methanogenic TRFLP data and conservative tracers suggests that deep circulation of meteoric waters influenced archaeal communities in the Illinois Basin. In addition, coalification and burial estimates suggest that in the study area, coals and shale reservoirs were previously sterilized (>80°C in nutrient poor environments), necessitating the re-introduction of microbes into the subsurface via groundwater transport. © 2011 Elsevier Ltd.

Minimum detectable velocity (MDV) is a fundamental consideration for the design, implementation, and exploitation of ground moving-target indication (GMTI) radar imaging modes. All single-phase-center air-to-ground radars are characterized by an MDV, or a minimum radial velocity below which motion of a discrete nonstationary target is indistinguishable from the relative motion between the platform and the ground. Targets with radial velocities less than MDV are typically overwhelmed by endoclutter ground returns, and are thus not generally detectable. Targets with radial velocities greater than MDV typically produce distinct returns falling outside of the endoclutter ground returns, and are thus generally discernible using straightforward detection algorithms. This document provides a straightforward derivation of MDV for an air-to-ground single-phase-center GMTI radar operating in an arbitrary geometry.

We performed measurements of the prompt radiation induced conductivity in thin samples of Alumina and Sapphire at the Little Mountain Medusa LINAC facility in Ogden, UT. Five mil thick samples were irradiated with pulses of 20 MeV electrons, yielding dose rates of 1E7 to 1E9 rad/s. We applied variable potentials up to 1 kV across the samples and measured the prompt conduction current. Analysis rendered prompt conductivity coefficients between 1E10 and 1E9 mho/m/(rad/s), depending on the dose rate and the pulse width for Alumina and 1E7 to 6E7 mho/m/(rad/s) for Sapphire.

The Sandia National Laboratories, California (SNL/CA) Environmental Management System (EMS) Program Manual documents the elements of the site EMS Program. The SNL/CA EMS Program conforms to the International Standard on Environmental Management Systems, ISO 14001:2004and Department of Energy (DOE) Order 450.1. Sandia National Laboratories, California (SNL/CA) has maintained functional environmental programs to assist with regulatory compliance for more than 30 years. During 2005, these existing programs were rolled into a formal environmental management system (EMS) that expands beyond the traditional compliance focus to managing and improving environmental performance and stewardship practices for all site activities. An EMS is a set of inter-related elements that represent a continuing cycle of planning, implementing, evaluating, and improving processes and actions undertaken to achieve environmental policy and goals. The SNL/CA EMS Program conforms to the International Standard for Environmental Management Systems, ISO 14001:2004 (ISO 2004). The site received ISO 14001 certification in September 2006. SNL/CA's EMS Program is applicable to the Sandia, Livermore site only. Although SNL/CA operates as one organizational division of the overall Sandia National Laboratories, the EMS Program is site-specific, with site-specific objectives and targets. SNL/CA (Division 8000) benefits from the organizational structure as it provides corporate level policies, procedures, and standards, and established processes that connect to and support elements of the SNL/CA EMS Program. Additionally, SNL/CA's EMS Program benefits from two corporate functional programs (Facilities Energy Management and Fleet Services programs) that maintain responsibility for energy management and fleet services for all Sandia locations. Each EMS element is further enhanced with site-specific processes and standards. Division 8000 has several groups operating at Sandia National Laboratories, New Mexico (SNL/NM). Although these groups, from an organizational perspective, are part of Division 8000, they are managed locally and fall under the environmental requirements specific to their New Mexico location. The New Mexico groups in Division 8000 follow the corporate EMS Program for New Mexico operations.

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The CASL Level 2 Milestone VUQ.Y1.03, 'Enable statistical sensitivity and UQ demonstrations for VERA,' was successfully completed in March 2011. The VUQ focus area led this effort, in close partnership with AMA, and with support from VRI. DAKOTA was coupled to VIPRE-W thermal-hydraulics simulations representing reactors of interest to address crud-related challenge problems in order to understand the sensitivity and uncertainty in simulation outputs with respect to uncertain operating and model form parameters. This report summarizes work coupling the software tools, characterizing uncertainties, selecting sensitivity and uncertainty quantification algorithms, and analyzing the results of iterative studies. These demonstration studies focused on sensitivity and uncertainty of mass evaporation rate calculated by VIPRE-W, a key predictor for crud-induced power shift (CIPS).

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This report describes the Spherical Particle Exchange Model (SPEM), which simulates exchange of one hydrogen isotope by another hydrogen isotope in a spherical metal hydride particle. This is one of the fundamental physical processes during isotope exchange in a bed of spherical metal particles and is thus one of the key components in any comprehensive physics-based model of exchange. There are two important physical processes in the model. One is the entropy of mixing between the two isotopes; the entropy of mixing is increased by having both isotopes randomly placed at interstitial sites on the lattice and thus impedes the exchange process. The other physical process is the elastic interaction between isotope atoms on the lattice. The elastic interaction is the cause for {beta}-phase formation and is independent of the isotope species. In this report the coupled diffusion equations for two isotopes in the {beta}-phase hydride are solved. A key concept is that the diffusion of one isotope depends not only on its concentration gradient, but also on the concentration gradient of the other isotope. Diffusion rate constants and the chemical potentials for deuterium and hydrogen in the {beta}-phase hydride are reviewed because these quantities are essential for an accurate model of the diffusion process. Finally, a summary of some of the predictions from the SPEM model are provided.

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Concentrating solar power (CSP) technologies continue to mature and are being deployed worldwide. Power towers will likely play an essential role in the future development of CSP due to their potential to provide dispatchable solar electricity at a low cost. This Power Tower Technology Roadmap has been developed by the U.S. Department of Energy (DOE) to describe the current technology, the improvement opportunities that exist for the technology, and the specific activities needed to reach the DOE programmatic target of providing competitively-priced electricity in the intermediate and baseload power markets by 2020. As a first step in developing this roadmap, a Power Tower Roadmap Workshop that included the tower industry, national laboratories, and DOE was held in March 2010. A number of technology improvement opportunities (TIOs) were identified at this workshop and separated into four categories associated with power tower subsystems: solar collector field, solar receiver, thermal energy storage, and power block/balance of plant. In this roadmap, the TIOs associated with power tower technologies are identified along with their respective impacts on the cost of delivered electricity. In addition, development timelines and estimated budgets to achieve cost reduction goals are presented. The roadmap does not present a single path for achieving these goals, but rather provides a process for evaluating a set of options from which DOE and industry can select to accelerate power tower R&D, cost reductions, and commercial deployment.

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