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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Virtual Battery Parameter Identification using Transfer Learning based Stacked Autoencoder

Recent studies have shown that the aggregated dynamic flexibility of an ensemble of thermostatic loads can be modeled in the form of a virtual battery. The existing methods for computing the virtual battery parameters require the knowledge of the first-principle models and parameter values of the loads in the ensemble. In real-world applications, however, it is likely that the only available information are end-use measurements such as power consumption, room temperature, device on/off status, etc., while very little about the individual load models and parameters are known. We propose a transfer learning based deep network framework for calculating virtual battery state of a given ensemble of flexible thermostatic loads, from the available end-use measurements. This proposed framework extracts first order virtual battery model parameters for the given ensemble. We illustrate the effectiveness of this novel framework on different ensembles of ACs and WHs.

Stacked Autoencoder, Convolution Neural Network, v↗
DOE OSTI2021

Development and validation of a second-order thermal network model for residential buildings

Heating, Ventilation, and Air Conditioning (HVAC) systems can maintain the space air temperature of residential buildings, either directly by heating/cooling the air, or indirectly via heat transfer to and from the building structure that acts as a thermal mass. Hence, HVAC systems can help achieve load shifting, peak load reduction, and/or energy cost saving, thus enabling grid-interactive HVAC operation. A home thermal model that can accurately reflect the dynamics of the space air and interior wall surface temperatures, is therefore valuable. This paper develops such a model using the standard RC (resistance-capacitance) approach. The model contains a virtual envelope node and an internal space node and is thus second-order. A hybrid parameter identification scheme, made up of the least-squares and optimal search methods, is also developed. The proposed model and scheme were validated using data collected from a test home. It was found that a modest amount of training data was sufficient to yield reliable parameter estimates and accurate prediction. It was also found that when making 24-hour-ahead prediction of the space air temperature, both methods had comparable performances when the training data began in a transition season. However, when they began in an HVAC season, the optimal search method performed better. Furthermore, the least-squares method is recommended during a transition season due to its lower computational burden, while the optimal search method is recommended during an HVAC season due to its better estimation performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Long-term socioeconomic trends and climate variability as drivers of virtual water scarcity in China

Water scarcity can have far-reaching sectoral impacts beyond its physical location through the propagation of virtual water flows. Socioeconomic and hydroclimatic changes affect local and virtual water scarcity by altering availability and demand. Yet most studies of this phenomenon focus on volumetric footprints, and the few on water scarcity risk have not examined hydroclimatic variability beyond long-term trends. In this study, we ask how gross domestic product (GDP) and population changes, long-term meteorological trends, sea surface temperature (SST) patterns, and interannual meteorological variability affect water scarcity in China, both locally (through the local water scarcity risk index, LWSR) and remotely (through the virtual water scarcity risk index, VWSR). Counterfactual scenarios were compared in a regression-and-simulation framework, with the socioeconomic and meteorological drivers varying over 1923–2019 and the multi-regional input–output structure staying fixed at 2017. Relative to a 5 year baseline centered on 2017, GDP and population changes have induced a cumulative 17%–50% increase in LWSR and 13%–21% increase in VWSR, outweighing the effect of long-term meteorological trends. phase change in one of two examined SST patterns induce 4%–13% differences in LWSR and 1%–4% differences in VWSR. Interannual meteorological variability induces 10%–20% standard deviations in LWSR and 3%–7% in VWSR. The findings highlight the importance of using longer time series to accurately assess local and virtual water scarcity situations. Water scarcity management should prioritize socioeconomic factors when planning at century-long timescales and prioritize hydroclimatic factors at multidecadal or shorter timescales. water managers should consider interannual variabilities in LWSR and VWSR and plan for potential occurrences of extreme conditions.

climate variability↗
DOE OSTI2025

Pxl

The code consists of several scripts. The image is fetched from a predefined URL, downloaded, and is displayed in the virtual environment at a predefined location. The image is also dynamically scaled to fit in the virtual environment depending on its size. The image is sent to have each pixel's value written to a CSV file. While the CSV is being written, a dictionary is populated with values that map each pixel to a temperature reading. The image's height, width, position and references to its corners are sent to make a button that is the same size as the image and placed right behind the image in the virtual scene. The button defines behavior that should be triggered when the user pushes the image. Unity provides visual cues that alert the user when they are about to touch something in the virtual environment. The code holds references to the cues for the left and right hands. The button queries the cue tracker and receives the position of the active cue in the form of a 3D vector. The 3D vector is compared to the bottom left corner of the image to transform the world space coordinates of the cue to the pixel space of the image. The specific pixel is approximated relative to how far left and up the user touched from the bottom left corner of the image. The approximated pixel value, which is represented as a coordinate in 2D space, is used to retrieve the temperature value associated with the approximated pixel. A window of text is then updated to display the temperature reading.

. Otis, KrystianeS [Idaho National Laboratory (INL↗
DOE OSTI2024

Steam Generator Model Design Parameter Sensitivity Study Using Advanced Optimization Tools

This study focuses on design parameter sensitivity studies pertaining to a steam generator (SG) model, using both Python and machine-learning tools. The SG model is a mathematical representation (including fluid flow and heat transfer equations/models/correlations) of a steam-generating unit in a pressurized water reactor (PWR)-type small modular reactor (SMR) system. Design studies involve changing the model’s input design parameters (e.g., temperature, pressure, mass flow rate) to observe the resulting effects on the output of the system (e.g., heat transfer coefficient [HTC], Nusselt number, heat transfer performance). Sensitivity studies analyze the degree to which system output and/or desired parameters (e.g., HTC or heat transfer performance) are sensitive to changes in input parameters. By using machine-learning tools such as the Risk Analysis Virtual Environment (RAVEN) developed at Idaho National Laboratory (INL), detailed design parametric sensitivity studies and model optimization were performed. Six input parameters—namely, the pressure, temperature, and mass flow rate for the inlet of the primary-side (hot fluid) and secondary-side (cold fluid) of the SG—were randomly perturbed via RAVEN’s Monte Carlo Sampler module, using uniform distributions (±1% relative changes). The analysis results give valuable insights into SG system performance and optimization, and provide justification for researching optimized sensor placement to effectively monitor and obtain experimental data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Steam Generator Model Design Parameter Sensitivity Study Using Advanced Optimization Tools

This study focuses on design parameter sensitivity studies pertaining to a steam generator (SG) model, using both Python and machine-learning tools. The SG model is a mathematical representation (including fluid flow and heat transfer equations/models/correlations) of a steam-generating unit in a pressurized water reactor (PWR)-type small modular reactor (SMR) system. Design studies involve changing the model’s input design parameters (e.g., temperature, pressure, mass flow rate) to observe the resulting effects on the output of the system (e.g., heat transfer coefficient [HTC], Nusselt number, heat transfer performance). Sensitivity studies analyze the degree to which system output and/or desired parameters (e.g., HTC or heat transfer performance) are sensitive to changes in input parameters. By using machine-learning tools such as the Risk Analysis Virtual Environment (RAVEN) developed at Idaho National Laboratory (INL), detailed design parametric sensitivity studies and model optimization were performed. Six input parameters—namely, the pressure, temperature, and mass flow rate for the inlet of the primary-side (hot fluid) and secondary-side (cold fluid) of the SG—were randomly perturbed via RAVEN’s Monte Carlo Sampler module, using uniform distributions (±1% relative changes). The analysis results give valuable insights into SG system performance and optimization, and provide justification for researching optimized sensor placement to effectively monitor and obtain experimental data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Universal fragment descriptors for predicting properties of inorganic crystals

Although historically materials discovery has been driven by a laborious trial-and-error process, knowledge-driven materials design can now be enabled by the rational combination of Machine Learning methods and materials databases. Here, data from the AFLOW repository for ab initio calculations is combined with Quantitative Materials Structure-Property Relationship models to predict important properties: metal/insulator classification, band gap energy, bulk/shear moduli, Debye temperature and heat capacities. The prediction’s accuracy compares well with the quality of the training data for virtually any stoichiometric inorganic crystalline material, reciprocating the available thermomechanical experimental data. The universality of the approach is attributed to the construction of the descriptors: Property-Labelled Materials Fragments. The representations require only minimal structural input allowing straightforward implementations of simple heuristic design rules.

Science & Technology - Other Topics↗
DOE OSTI2015

Quantitative analysis of intermolecular interactions in orthorhombic rubrene

Rubrene is one of the most studied organic semiconductors to date due to its high charge carrier mobility which makes it a potentially applicable compound in modern electronic devices. Previous electronic device characterizations and first principles theoretical calculations assigned the semiconducting properties of rubrene to the presence of a large overlap of the extended π-conjugated core between molecules. We present here the electron density distribution in rubrene at 20 K and at 100 K obtained using a combination of high-resolution X-ray and neutron diffraction data. The topology of the electron density and energies of intermolecular interactions are studied quantitatively. Specifically, the presence of C π ...C π interactions between neighbouring tetracene backbones of the rubrene molecules is experimentally confirmed from a topological analysis of the electron density, Non-Covalent Interaction (NCI) analysis and the calculated interaction energy of molecular dimers. A significant contribution to the lattice energy of the crystal is provided by H—H interactions. The electron density features of H—H bonding, and the interaction energy of molecular dimers connected by H—H interaction clearly demonstrate an importance of these weak interactions in the stabilization of the crystal structure. Finally, the quantitative nature of the intermolecular interactions is virtually unchanged between 20 K and 100 K suggesting that any changes in carrier transport at these low temperatures would have a different origin. The obtained experimental results are further supported by theoretical calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Reactor for producing large particles of materials from gases

A method and apparatus is disclosed for producing large particles of material from gas, or gases, containing the material (e.g., silicon from silane) in a free-space reactor comprised of a tube (20) and controlled furnace (25). A hot gas is introduced in the center of the reactant gas through a nozzle (23) to heat a quantity of the reactant gas, or gases, to produce a controlled concentration of seed particles (24) which are entrained in the flow of reactant gas, or gases. The temperature profile (FIG. 4) of the furnace is controlled for such a slow, controlled rate of reaction that virtually all of the material released condenses on seed particles and new particles are not nucleated in the furnace. A separate reactor comprised of a tube (33) and furnace (30) may be used to form a seed aerosol which, after passing through a cooling section (34) is introduced in the main reactor tube (34) which includes a mixer (36) to mix the seed aerosol in a controlled concentration with the reactant gas or gases.

Flagan, Richard C.↗
DOE OSTI2017

The Effect of Kr-85 Decay to Rb-85 on Waste Forms - 17105

Krypton-85 (Kr-85) is a volatile radionuclide released during the reprocessing of used nuclear fuel (UNF). Prior to discharge of process off-gas streams to the environment, removal of Kr-85 is required to meet emission regulations. Once removed from the off-gas streams, Kr (containing stable Kr in addition to Kr-85) must be placed in storage until the Kr-85 has decayed to levels such that its potential release would meet regulatory guidelines. The current method of storage is high-pressure metal canisters. Historically, concerns have been expressed that the decay product of Kr-85, Rubidium-85 (Rb-85), could cause corrosion and weakening in the canisters that would ultimately lead to premature failure and release of Kr-85. Alternate methods and materials, such as matrix isolation in a vapor deposited metal and immobilization in zeolites, have been investigated as storage approaches for Kr. However, even these storage methods may become compromised due to the chemical effects of Rb-85 arising from the decay of Kr-85. A review was conducted of the available literature to examine topics relevant to the effects of Rb on the long-term storage of Kr-85, examine the source terms in the context of this concern, and suggest a path forward to resolve outstanding knowledge gaps. In the course of this analysis, several knowledge gaps were identified. Examples include: o The use of solid sorbents to potentially permit more Kr-85-bearing gas to be loaded into canisters, either at the pressures used in the current method or at significantly lower pressures. o A cost-to-benefit analysis is needed to ascertain the practicality of manufacturing waste forms for Kr-85 storage with solid sorbents. o The effects of radiation and chemical transmutation in solid sorbents or matrices for this application are virtually unknown. o Fundamental data are needed on corrosion rates and mechanisms as functions of Rb concentration, storage temperature, etc., for various storage approaches (e.g., as compressed gas or encapsulated in a getter material) and storage container materials. The present analysis focused on the available information regarding storage of Kr-85 in high-pressure containers. It was judged unlikely that such containers would be compromised by corrosion from the Rb decay product, especially if the Kr recovery operations result in a gas composition with very low oxygen content. However, this conclusion should be revisited based on preliminary data gathered from analysis of legacy Kr waste forms. These legacy waste forms are a result of experiments conducted at Idaho National Laboratory over 30 y ago and have been stored for more than three Kr-85 half-lives. Evaluation of these forms indicates significant corrosion, the cause of which has not been conclusively determined. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Structure sensitivity in oxide catalysis: First-principles kinetic Monte Carlo simulations for CO oxidation at RuO{sub 2}(111)

We present a density-functional theory based kinetic Monte Carlo study of CO oxidation at the (111) facet of RuO{sub 2}. We compare the detailed insight into elementary processes, steady-state surface coverages, and catalytic activity to equivalent published simulation data for the frequently studied RuO{sub 2}(110) facet. Qualitative differences are identified in virtually every aspect ranging from binding energetics over lateral interactions to the interplay of elementary processes at the different active sites. Nevertheless, particularly at technologically relevant elevated temperatures, near-ambient pressures and near-stoichiometric feeds both facets exhibit almost identical catalytic activity. These findings challenge the traditional definition of structure sensitivity based on macroscopically observable turnover frequencies and prompt scrutiny of the applicability of structure sensitivity classifications developed for metals to oxide catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

A new and effective method for thermostatting confined fluids

We present a simple thermostatting method suitable for nanoconfined fluid systems. Two conventional strategies involve thermostatting the fluid directly or employing a thermal wall that couples only the wall atoms with the thermostat. When only a thermal wall is implemented, the temperature control of the fluid is true to the actual experiment and the heat is transferred from the fluid to the walls. However, for large or complex systems it can often be computationally prohibitive to employ thermal walls. To overcome this limitation many researchers choose to freeze wall atoms and instead apply a synthetic thermostat to the fluid directly through the equations of motion. This, however, can have serious consequences for the mechanical, thermodynamic, and dynamical properties of the fluid by introducing unphysical behaviour into the system [Bernardi et al., J. Chem. Phys. 132, 244706 (2010)]. In this paper, we propose a simple scheme which enables working with both frozen walls and naturally thermostatted liquids. This is done by superimposing the walls with oscillating particles, which vibrate on the edge of the fluid control volume. These particles exchange energy with the fluid molecules, but do not interact with wall atoms or each other, thus behaving as virtual particles. Their displacements violate the Lindemann criterion for melting, in such a way that the net effect would not amount to an additional confining surface. One advantage over standard techniques is the reduced computational cost, particularly for large walls, since they can be kept rigid. Another advantage over accepted strategies is the opportunity to freeze complex charged walls such as β-cristobalite. The method furthermore overcomes the problem with polar fluids such as water, as thermalized charged surfaces require higher spring constants to preserve structural stability, due to the effects of strong Coulomb interactions, thus inevitably degrading the thermostatting efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2008

Structural Benchmark Creep Testing for the Advanced Stirling Convertor Heater Head

The National Aeronautics and Space Administration (NASA) has identified the high efficiency Advanced Stirling Radioisotope Generator (ASRG) as a candidate power source for use on long duration Science missions such as lunar applications, Mars rovers, and deep space missions. For the inherent long life times required, a structurally significant design limit for the heater head component of the ASRG Advanced Stirling Convertor (ASC) is creep deformation induced at low stress levels and high temperatures. Demonstrating proof of adequate margins on creep deformation and rupture for the operating conditions and the MarM-247 material of construction is a challenge that the NASA Glenn Research Center is addressing. The combined analytical and experimental program ensures integrity and high reliability of the heater head for its 17-year design life. The life assessment approach starts with an extensive series of uniaxial creep tests on thin MarM-247 specimens that comprise the same chemistry, microstructure, and heat treatment processing as the heater head itself. This effort addresses a scarcity of openly available creep properties for the material as well as for the virtual absence of understanding of the effect on creep properties due to very thin walls, fine grains, low stress levels, and high-temperature fabrication steps. The approach continues with a considerable analytical effort, both deterministically to evaluate the median creep life using nonlinear finite element analysis, and probabilistically to calculate the heater head s reliability to a higher degree. Finally, the approach includes a substantial structural benchmark creep testing activity to calibrate and validate the analytical work. This last element provides high fidelity testing of prototypical heater head test articles; the testing includes the relevant material issues and the essential multiaxial stress state, and applies prototypical and accelerated temperature profiles for timely results in a highly controlled laboratory environment. This paper focuses on the last element and presents a preliminary methodology for creep rate prediction, the experimental methods, test challenges, and results from benchmark testing of a trial MarM-247 heater head test article. The results compare favorably with the analytical strain predictions. A description of other test findings is provided, and recommendations for future test procedures are suggested. The manuscript concludes with describing the potential impact of the heater head creep life assessment and benchmark testing effort on the ASC program.

Krause, David L.↗
DOE OSTI2014

Uranium and cesium diffusion in fuel cladding of electrogenerating channel

The results of reactor tests of a carbonitride fuel in a single-crystal cladding from a molybdenum-based alloy can be used in substantiating the operational reliability of fuels in developing a project of a megawatt space nuclear power plant. The results of experimental studies of uranium and cesium penetration into the single-crystal cladding of fuel elements with a carbonitride fuel are interpreted. Those fuel elements passed nuclear power tests in the Ya-82 pilot plant for 8300 h at a temperature of about 1500°C. It is shown that the diffusion coefficients for uranium diffusion into the cladding are virtually coincident with the diffusion coefficients measured earlier for uranium diffusion into polycrystalline molybdenum. It is found that the penetration of uranium into the cladding is likely to occur only in the case of a direct contact between the cladding and fuel. The experimentally observed nonmonotonic uranium-concentration profiles are explained in terms of predominant uranium diffusion along grain boundaries. It is shown that a substantially nonmonotonic behavior observed in our experiment for the uranium-concentration profile may be explained by the presence of a polycrystalline structure of the cladding in the surface region from its inner side. The diffusion coefficient is estimated for the grain-boundary diffusion of uranium. The diffusion coefficients for cesium are estimated on the basis of experimental data obtained in the present study.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1990

The Liquid Annular Reactor System (LARS) propulsion

A concept for very high specific impulse (greater than 2000 seconds) direct nuclear propulsion is described. The concept, termed the liquid annular reactor system (LARS), uses liquid nuclear fuel elements to heat hydrogen propellant to very high temperatures (approximately 6000 K). Operating pressure is moderate (approximately 10 atm), with the result that the outlet hydrogen is virtually 100 percent dissociated to monatomic H. The molten fuel is contained in a solid container of its own material, which is rotated to stabilize the liquid layer by centripetal force. LARS reactor designs are described, together with neutronic and thermal-hydraulic analyses. Power levels are on the order of 200 megawatts. Typically, LARS designs use seven rotating fuel elements, are beryllium moderated, and have critical radii of approximately 100 cm (core L/D approximately equal to 1.5).

Powell, James↗
NASA NTRS1994

Sm-Nd dating of Fig Tree clay minerals of the Barberton greenstone belt, South Africa

Sm-Nd isotopic data from carbonate-derived clay minerals of the 3.22-3.25 Ga Fig Tree Group, Barberton greenstone belt, South Africa, form a linear array corresponding to an age of 3102 +/- 64 Ma, making these minerals the oldest dated clays on Earth. The obtained age is 120-160 m.y. younger than the depositional age determined by zircon geochronology. Nd model ages for the clays range from approximately 3.39 to 3.44 Ga and almost cover the age variation of the Barberton greenstone belt rocks, consistent with independent evidence that the clay minerals are derived from material of the belt. The combined isotopic and mineralogical data provide evidence for a cryptic thermal overprint in the sediments of the belt. However, the highest temperature reached by the samples since the time of clay-mineral formation was <300 degrees C, lower than virtually any known early Archean supracrustal sequence.

Non-NASA Center↗
NASA NTRS1992

Hydrogen and carbon isotopic composition of volatiles in Nakhla: Implications for weathering on Mars

Gases were collected at 120, 200, 300, 415, and 600 and 850 C. Hydrogen yields for the 600 and 850 C aliquots were measured separately and then the gases were combined for isotopic analysis. CO2 samples collected at the two lowest temperature steps amounted to less than 0.5 mu mole and were not analyzed isotopically. Excluding the 120 C temperature step, the bulk delta D of the sample was + 187 percent. Delta D values increase from -91 percent in the 120 C step to +518 percent in the 315 to 850 C step. The hydrogen content is greatest in the 120 C step and is roughly constant in the 200, 300, and 415 C aliquots. Between 415 C and 850 C, the yield drops off considerably. From 850 C to 950 C, virtually no H2 and only minor CO2 (less than 1 mu mole) were extracted. Using the isotopic analysis from the 300, 415, 600, and 850 C temperature collections, the bulk delta C-13 sub (PDB) is 0.0 percent. The heaviest component (delta C-13 sub (PDB) of +29 percent) was collected between 300 and 415 C. The release of hydrogen at the low temperatures reported here is consistent with the breakdown of the phases that constitute the alteration product between approx. 250 and 650 C. Although not as high as the present Martian atmosphere, the high delta D values are consistent with a Martian origin for the meteorites in question.

Watson, L. L.↗