Projection of molten salt performance in thermal storage systems, whether based on sensible heat or latent heat, is highly dependent on the predictions of thermophysical properties. In the absence of experimental data, heat transfer properties rely on theoretical estimations. This work focuses on thermodynamic predictions of mixture properties for molten salts supportive of ongoing advanced heat transfer fluid research at the Sandia National Laboratories. Thus far, the candidate mixtures studied experimentally and theoretically at Sandia are made up of either ternary or quaternary nitrate and mixed nitrate/nitrite salts of various compositions. Experimentally, mixture properties such as melting points and heat of fusion are obtained by thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC). Classical thermodynamics are applied to resolve phase transitions of molten salt mixtures as well as mixture properties. The Wilson equation, developed originally for organic mixtures, is used to study phase boundaries of molten salts in this work. Molecular thermodynamics (MD), where atomistic simulation forms the basis for constructing the equation of state, are conducted where our fundamental understanding and experimental knowledge are lacking.
For oxy-fuel combustion with substantial flue gas recirculation, as is commonly employed, pulverized coal combustion occurs in the presence of elevated CO2 levels. Our previous investigations of pulverized coal char combustion in such atmospheres have suggested, through computational modeling of the experimental results, that CO2 gasification rates are sufficiently high under oxy-fuel combustion conditions to significantly influence the char combustion process. Experimental measurements of such rates under the relevant conditions (1 atm, T > 1700 K) are lacking. To address this, we have measured both the char particle temperature statistics and the char mass loss when a high volatile bituminous coal char and a subbituminous coal char are introduced into a high-temperature optical flow reactor with nearly 100% CO2. The experimental measurements show a temperature decrease from the gasifying particles (consistent with the strong endothermicity of the char gasification reaction) and show increasing mass loss with increasing residence time and temperature, as expected.
Vertically aligned InGaN/GaN nanorod light emitting diode (LED) arrays were created from planar LED structures using a new top-down fabrication technique consisting of a plasma etch followed by an anisotropic wet etch. The wet etch results in straight, smooth, well-faceted nanorods with controllable diameters and removes the plasma etch damage. 94% of the nanorod LEDs are dislocation-free and a reduced quantum confined Stark effect is observed due to reduced piezoelectric fields. Despite these advantages, the IQE of the nanorod LEDs measured by photoluminescence is comparable to the planar LED, perhaps due to inefficient thermal transport and enhanced nonradiative surface recombination.
Zudov, M.A.; Hatke, A.T.; Chiang, H.S.; Pfeiffer, L.N.; West, K.W.; Reno, John L.
Low temperature transport properties of high mobility two-dimensional electron systems placed in a weak perpendicular magnetic field can be modified dramatically by microwave or dc electric fields. This paper surveys recent experimental developments which include zero-differential resistance states, Hall field-induced resistance oscillations in tilted magnetic fields, nonlinear response of the Shubnikov-de Haas Oscillations, and a novel microwave photoconductivity peak near the second harmonic of the cyclotron resonance.
The Image Composition Engine for Tiles (IceT) is a high-performance sort-last parallel rendering library. In addition to providing accelerated rendering for a standard display, IceT provides the unique ability to generate images for tiled displays. The overall resolution of the display may be several times larger than any viewport that may be rendered by a single machine. This document is an overview of the user interface to IceT.
Key components of the nuclear fuel cycle are short-term storage and long-term disposal of nuclear waste. The latter encompasses the immobilization of used nuclear fuel (UNF) and radioactive waste streams generated by various phases of the nuclear fuel cycle, and the safe and permanent disposition of these waste forms in geological repository environments. The engineered barrier system (EBS) plays a very important role in the long-term isolation of nuclear waste in geological repository environments. EBS concepts and their interactions with the natural barrier are inherently important to the long-term performance assessment of the safety case where nuclear waste disposition needs to be evaluated for time periods of up to one million years. Making the safety case needed in the decision-making process for the recommendation and the eventual embracement of a disposal system concept requires a multi-faceted integration of knowledge and evidence-gathering to demonstrate the required confidence level in a deep geological disposal site and to evaluate long-term repository performance. The focus of this report is the following: (1) Evaluation of EBS in long-term disposal systems in deep geologic environments with emphasis on the multi-barrier concept; (2) Evaluation of key parameters in the characterization of EBS performance; (3) Identification of key knowledge gaps and uncertainties; and (4) Evaluation of tools and modeling approaches for EBS processes and performance. The above topics will be evaluated through the analysis of the following: (1) Overview of EBS concepts for various NW disposal systems; (2) Natural and man-made analogs, room chemistry, hydrochemistry of deep subsurface environments, and EBS material stability in near-field environments; (3) Reactive Transport and Coupled Thermal-Hydrological-Mechanical-Chemical (THMC) processes in EBS; and (4) Thermal analysis toolkit, metallic barrier degradation mode survey, and development of a Disposal Systems Evaluation Framework (DSEF). This report will focus on the multi-barrier concept of EBS and variants of this type which in essence is the most adopted concept by various repository programs. Empasis is given mainly to the evaluation of EBS materials and processes through the analysis of published studies in the scientific literature of past and existing repository research programs. Tool evaluations are also emphasized, particularly on THCM processes and chemical equilibria. Although being an increasingly important aspect of NW disposition, short-term or interim storage of NW will be briefly discussed but not to the extent of the EBS issues relevant to disposal systems in deep geologic environments. Interim storage will be discussed in the report Evaluation of Storage Concepts FY10 Final Report (Weiner et al. 2010).
Nanomaterials and nanotechnology methods have been an integral part of international research over the past decade. Because many traditional water treatment technologies (e.g. membrane filtration, biofouling, scale inhibition, etc.) depend on nanoscale processes, it is reasonable to expect one outcome of nanotechnology research to be better, nano-engineered water treatment approaches. The most immediate, and possibly greatest, impact of nanotechnology on desalination methods will likely be the development of membranes engineered at the near-molecular level. Aquaporin proteins that channel water across cell membranes with very low energy inputs point to the potential for dramatically improved performance. Aquaporin-laced polymer membranes and aquaporin-mimicking carbon nanotubes and metal oxide membranes developed in the lab support this. A critical limitation to widespread use of nanoengineered desalination membranes will be their scalability to industrial fabrication processes. Subsequent, long-term improvements in nanoengineered membranes may result in self-healing membranes that ideally are (1) more resistant to biofouling, (2) have biocidal properties, and/or (3) selectively target trace contaminants.
Operators interested in improving reliability should begin with a focus on the performance of the wind plant as a whole. To then understand the factors which drive individual turbine performance, which together comprise the plant performance, it is necessary to track a number of key indicators. Analysis of these key indicators can reveal the type, frequency, and cause of failures and will also identify their contributions to overall plant performance. The ideal approach to using data to drive good decisions includes first determining which critical decisions can be based on data. When those required decisions are understood, then the analysis required to inform those decisions can be identified, and finally the data to be collected in support of those analyses can be determined. Once equipped with high-quality data and analysis capabilities, the key steps to data-based decision making for reliability improvements are to isolate possible improvements, select the improvements with largest return on investment (ROI), implement the selected improvements, and finally to track their impact.
This Sandia supported research project evaluated the potential improvement that 'condensing' supercritical carbon dioxide (S-CO{sub 2}) power cycles can have on the efficiency of Light Water Reactors (LWR). The analytical portion of research project identified that a S-CO{sub 2} 'condensing' re-compression power cycle with multiple stages of reheat can increase LWR power conversion efficiency from 33-34% to 37-39%. The experimental portion of the project used Sandia's S-CO{sub 2} research loop to show that the as designed radial compressor could 'pump' liquid CO{sub 2} and that the gas-cooler's could 'condense' CO{sub 2} even though both of these S-CO{sub 2} components were designed to operate on vapor phase S-CO{sub 2} near the critical point. There is potentially very high value to this research as it opens the possibility of increasing LWR power cycle efficiency, above the 33-34% range, while lowering the capital cost of the power plant because of the small size of the S-CO{sub 2} power system. In addition it provides a way to incrementally build advanced LWRs that are optimally designed to couple to S-CO{sub 2} power conversion systems to increase the power cycle efficiency to near 40%.
Truncated Gaussian fields provide a flexible model for defining binary media with dispersed (as opposed to layered) inclusions. General properties of excursion sets on these truncated fields are coupled with a distance-based upscaling algorithm and approximations of point process theory to develop an estimation approach for effective conductivity in two-dimensions. Estimation of effective conductivity is derived directly from knowledge of the kernel size used to create the multiGaussian field, defined as the full-width at half maximum (FWHM), the truncation threshold and conductance values of the two modes. Therefore, instantiation of the multiGaussian field is not necessary for estimation of the effective conductance. The critical component of the effective medium approximation developed here is the mean distance between high conductivity inclusions. This mean distance is characterized as a function of the FWHM, the truncation threshold and the ratio of the two modal conductivities. Sensitivity of the resulting effective conductivity to this mean distance is examined for two levels of contrast in the two modal conductances and different FWHM sizes. Results demonstrate that the FWHM is a robust measure of mean travel distance in the background medium. The resulting effective conductivities are accurate when compared to numerical results and results obtained from effective media theory, distance-based upscaling and numerical simulation.
The objective of the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation Waste Integrated Performance and Safety Codes (NEAMS Waste IPSC) is to provide an integrated suite of computational modeling and simulation (M&S) capabilities to quantitatively assess the long-term performance of waste forms in the engineered and geologic environments of a radioactive-waste storage facility or disposal repository. To meet this objective, NEAMS Waste IPSC M&S capabilities will be applied to challenging spatial domains, temporal domains, multiphysics couplings, and multiscale couplings. A strategic verification and validation (V&V) goal is to establish evidence-based metrics for the level of confidence in M&S codes and capabilities. Because it is economically impractical to apply the maximum V&V rigor to each and every M&S capability, M&S capabilities will be ranked for their impact on the performance assessments of various components of the repository systems. Those M&S capabilities with greater impact will require a greater level of confidence and a correspondingly greater investment in V&V. This report includes five major components: (1) a background summary of the NEAMS Waste IPSC to emphasize M&S challenges; (2) the conceptual foundation for verification, validation, and confidence assessment of NEAMS Waste IPSC M&S capabilities; (3) specifications for the planned verification, validation, and confidence-assessment practices; (4) specifications for the planned evidence information management system; and (5) a path forward for the incremental implementation of this V&V plan.
Power conversion systems for energy storage and other distributed energy resource applications are among the drivers of the important role that power electronics plays in providing reliable electricity. Wide band gap semiconductors such as silicon carbide (SiC) and gallium nitride (GaN) will help increase the performance and efficiency of power electronic equipment while condition monitoring (CM) and prognostics and health management (PHM) will increase the operational availability of the equipment and thereby make it more cost effective. Voltage and/or temperature stress testing were performed on a number of SiC devices in order to accelerate failure modes and to identify measureable shifts in electrical characteristics which may provide early indication of those failures. Those shifts can be interpreted and modeled to provide prognostic signatures for use in CM and/or PHM. Such experiments will also lead to a deeper understanding of basic device physics and the degradation mechanisms behind failure.
Representative accident source terms patterned after the NUREG-1465 Source Term have been developed for high burnup fuel in BWRs and PWRs and for MOX fuel in a PWR with an ice-condenser containment. These source terms have been derived using nonparametric order statistics to develop distributions for the timing of radionuclide release during four accident phases and for release fractions of nine chemical classes of radionuclides as calculated with the MELCOR 1.8.5 accident analysis computer code. The accident phases are those defined in the NUREG-1465 Source Term - gap release, in-vessel release, ex-vessel release, and late in-vessel release. Important differences among the accident source terms derived here and the NUREG-1465 Source Term are not attributable to either fuel burnup or use of MOX fuel. Rather, differences among the source terms are due predominantly to improved understanding of the physics of core meltdown accidents. Heat losses from the degrading reactor core prolong the process of in-vessel release of radionuclides. Improved understanding of the chemistries of tellurium and cesium under reactor accidents changes the predicted behavior characteristics of these radioactive elements relative to what was assumed in the derivation of the NUREG-1465 Source Term. An additional radionuclide chemical class has been defined to account for release of cesium as cesium molybdate which enhances molybdenum release relative to other metallic fission products.
This report summarizes the state of salt repository science, reviews many of the technical issues pertaining to disposal of heat-generating nuclear waste in salt, and proposes several avenues for future science-based activities to further the technical basis for disposal in salt. There are extensive salt formations in the forty-eight contiguous states, and many of them may be worthy of consideration for nuclear waste disposal. The United States has extensive experience in salt repository sciences, including an operating facility for disposal of transuranic wastes. The scientific background for salt disposal including laboratory and field tests at ambient and elevated temperature, principles of salt behavior, potential for fracture damage and its mitigation, seal systems, chemical conditions, advanced modeling capabilities and near-future developments, performance assessment processes, and international collaboration are all discussed. The discussion of salt disposal issues is brought current, including a summary of recent international workshops dedicated to high-level waste disposal in salt. Lessons learned from Sandia National Laboratories' experience on the Waste Isolation Pilot Plant and the Yucca Mountain Project as well as related salt experience with the Strategic Petroleum Reserve are applied in this assessment. Disposal of heat-generating nuclear waste in a suitable salt formation is attractive because the material is essentially impermeable, self-sealing, and thermally conductive. Conditions are chemically beneficial, and a significant experience base exists in understanding this environment. Within the period of institutional control, overburden pressure will seal fractures and provide a repository setting that limits radionuclide movement. A salt repository could potentially achieve total containment, with no releases to the environment in undisturbed scenarios for as long as the region is geologically stable. Much of the experience gained from United States repository development, such as seal system design, coupled process simulation, and application of performance assessment methodology, helps define a clear strategy for a heat-generating nuclear waste repository in salt.
Military training utilizing serious games or virtual worlds potentially generate data that can be mined to better understand how trainees learn in experiential exercises. Few data mining approaches for deployed military training games exist. Opportunities exist to collect and analyze these data, as well as to construct a full-history learner model. Outcomes discussed in the present document include results from a quasi-experimental research study on military game-based experiential learning, the deployment of an online game for training evidence collection, and results from a proof-of-concept pilot study on the development of individualized training vectors. This Lab Directed Research & Development (LDRD) project leveraged products within projects, such as Titan (Network Grand Challenge), Real-Time Feedback and Evaluation System, (America's Army Adaptive Thinking and Leadership, DARWARS Ambush! NK), and Dynamic Bayesian Networks to investigate whether machine learning capabilities could perform real-time, in-game similarity vectors of learner performance, toward adaptation of content delivery, and quantitative measurement of experiential learning.
Spatially resolved measurements of electric fields at electrochemical interfaces would be a critical step toward further understanding and modeling the detailed structure of electric double layers. The goal of this project was to perform proof-of-principle experiments to demonstrate the use of field-sensitive dyes for optical measurements of fields in electrochemical systems. A confocal microscope was developed that provides sensitive detection of the lifetime and high resolution spectra of excited fluorescence for dyes tethered to electrically conductive surfaces. Excited state lifetimes for the dyes were measured and found to be relatively unquenched when linked to indium tin oxide, but strongly quenched on gold surfaces. However, our fluorescence detection is sufficiently sensitive to measure spectra of submonolayer dye coatings even when the fluorescence was strongly quenched. Further work to create dye labeled interfaces on flat, uniform and durable substrates is necessary to make electric field measurements at interfaces using field sensitive dyes.
An ideal red phosphor for blue LEDs is one of the biggest challenges for the solid-state lighting industry. The appropriate phosphor material should have good adsorption and emission properties, good thermal and chemical stability, minimal thermal quenching, high quantum yield, and is preferably inexpensive and easy to fabricate. Tantalates possess many of these criteria, and lithium lanthanum tantalate materials warrant thorough investigation. In this study, we investigated red luminescence of two lithium lanthanum tantalates via three mechanisms: (1) Eu-doping, (2) Mn-doping and (3) self-activation of the tantalum polyhedra. Of these three mechanisms, Mn-doping proved to be the most promising. These materials exhibit two very broad adsorption peaks; one in the UV and one in the blue region of the spectrum; both can be exploited in LED applications. Furthermore, Mn-doping can be accomplished in two ways; ion-exchange and direct solid-state synthesis. One of the two lithium lanthanum tantalate phases investigated proved to be a superior host for Mn-luminescence, suggesting the crystal chemistry of the host lattice is important.
This report describes the conceptual design of a technology choice model for understanding strategies to reduce carbon intensity in the electricity sector. The report considers the major modeling issues affecting technology policy assessment and defines an implementable model construct. Further, the report delineates the basis causal structure of such a model and attempts to establish the technical/algorithmic viability of pursuing model development along with the associated analyses.
Classical molecular dynamics simulations were used to investigate the formation of water droplets on two kaolinite surfaces: the gibbsite-like surface which is hydrophilic and the silica surface which is hydrophobic. Two methods for calculating contact angles were investigated in detail. The method of Giovambattista et al. was successful in calculating contact angles on both surfaces that compare well to the experimental data available. This is the first time that contact angles have been calculated for kaolinite surfaces from molecular simulations. This preliminary study provides the groundwork for investigating contact angles for more complex systems involving multiple fluids (water, CO{sub 2}, oil) in contact with different minerals in the subsurface environment.
The potential to treat non-traditional water sources using power plant waste heat in conjunction with membrane distillation is assessed. Researchers and power plant designers continue to search for ways to use that waste heat from Rankine cycle power plants to recover water thereby reducing water net water consumption. Unfortunately, waste heat from a power plant is of poor quality. Membrane distillation (MD) systems may be a technology that can use the low temperature waste heat (<100 F) to treat water. By their nature, they operate at low temperature and usually low pressure. This study investigates the use of MD to recover water from typical power plants. It looks at recovery from three heat producing locations (boiler blow down, steam diverted from bleed streams, and the cooling water system) within a power plant, providing process sketches, heat and material balances and equipment sizing for recovery schemes using MD for each of these locations. It also provides insight into life cycle cost tradeoffs between power production and incremental capital costs.
This study assesses the energy and water use of saltcedar (or tamarisk) as biomass for biofuel production in a hypothetical sub-region in New Mexico. The baseline scenario consists of a rural stretch of the Middle Rio Grande River with 25% coverage of mature saltcedar that is removed and converted to biofuels. A manufacturing system life cycle consisting of harvesting, transportation, pyrolysis, and purification is constructed for calculating energy and water balances. On a dry short ton woody biomass basis, the total energy input is approximately 8.21 mmBTU/st. There is potential for 18.82 mmBTU/st of energy output from the baseline system. Of the extractable energy, approximately 61.1% consists of bio-oil, 20.3% bio-char, and 18.6% biogas. Water consumptive use by removal of tamarisk will not impact the existing rate of evapotranspiration. However, approximately 195 gal of water is needed per short ton of woody biomass for the conversion of biomass to biocrude, three-quarters of which is cooling water that can be recovered and recycled. The impact of salt presence is briefly assessed. Not accounted for in the baseline are high concentrations of Calcium, Sodium, and Sulfur ions in saltcedar woody biomass that can potentially shift the relative quantities of bio-char and bio-oil. This can be alleviated by a pre-wash step prior to the conversion step. More study is needed to account for the impact of salt presence on the overall energy and water balance.
The Power Systems L-CAT is a high-level dynamic model that calculates levelized production costs and tracks environmental performance for a range of electricity generation technologies: natural gas combined cycle (using either imported (LNGCC) or domestic natural gas (NGCC)), integrated gasification combined cycle (IGCC), supercritical pulverized coal (SCPC), existing pulverized coal (EXPC), nuclear, and wind. All of the fossil fuel technologies also include an option for including carbon capture and sequestration technologies (CCS). The model allows for quick sensitivity analysis on key technical and financial assumptions, such as: capital, O&M, and fuel costs; interest rates; construction time; heat rates; taxes; depreciation; and capacity factors. The fossil fuel options are based on detailed life cycle analysis reports conducted by the National Energy Technology Laboratory (NETL). For each of these technologies, NETL's detailed LCAs include consideration of five stages associated with energy production: raw material acquisition (RMA), raw material transport (RMT), energy conversion facility (ECF), product transportation and distribution (PT&D), and end user electricity consumption. The goal of the NETL studies is to compare existing and future fossil fuel technology options using a cradle-to-grave analysis. The NETL reports consider constant dollar levelized cost of delivered electricity, total plant costs, greenhouse gas emissions, criteria air pollutants, mercury (Hg) and ammonia (NH3) emissions, water withdrawal and consumption, and land use (acreage).