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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

TRACE Code Validation of BWR SVEA Fuel Assembly Spray Cooling

Emergency spray cooling injection is a safety feature implemented in many boiling water reactor designs to reflood a reactor during an accident. Significant experimental work has qualified the efficacy of spray cooling, and ongoing computational modeling efforts strive to more accurately portray the phenomena involved. This work examines the physical phenomena pertaining to emergency spray cooling injection over SVEA-type fuel assemblies. BWR emergency core cooling system (ECCS) designs commonly incorporate a Low-Pressure Core Spray (LPCS) system that introduces coolant through spray nozzles directed to the top of the core, and are located in the upper plenum region. This design is effective for LOCA response, particularly during the initial refill and reflood stages of accident response where the goal is limiting the peak cladding temperature rise in the core. The U.S. NRC thermal-hydraulics code TRACE version 5.0 Patch 4 has been chosen to simulate the separate-effect tests performed by ASEA-ATOM. The computational model was evaluated by performing forward uncertainty quantification using Dakota as the analysis tool and code driver on 31 identified parameters from the input model and TRACE physical constitutive models. This paper discusses the sensitivity of the investigated parameters with respect to spray cooling simulation. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Computational and empirical studies predict Mycobacterium tuberculosis -specific T cells as a biomarker for infection outcome

Identifying biomarkers for tuberculosis (TB) is an ongoing challenge in developing immunological correlates of infection outcome and protection. Biomarker discovery is also necessary for aiding design and testing of new treatments and vaccines. To effectively predict biomarkers for infection progression in any disease, including TB, large amounts of experimental data are required to reach statistical power and make accurate predictions. We took a two-pronged approach using both experimental and computational modeling to address this problem. We first collected 200 blood samples over a 2-year period from 28 non-human primates (NHP) infected with a low dose of Mycobacterium tuberculosis . We identified T cells and the cytokines that they were producing (single and multiple) from each sample along with monkey status and infection progression data. Machine learning techniques were used to interrogate the experimental NHP datasets without identifying any potential TB biomarker. In parallel, we used our extensive novel NHP datasets to build and calibrate a multi-organ computational model that combines what is occurring at the site of infection (e.g., lung) at a single granuloma scale with blood level readouts that can be tracked in monkeys and humans. We then generated a large in silico repository of in silico granulomas coupled to lymph node and blood dynamics and developed an in silico tool to scale granuloma level results to a full host scale to identify what best predicts Mycobacterium tuberculosis (Mtb) infection outcomes. The analysis of in silico blood measures identifies Mtb -specific frequencies of effector T cell phenotypes at various time points post infection as promising indicators of infection outcome. As a result, we emphasize that pairing wetlab and computational approaches holds great promise to accelerate TB biomarker discovery.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1997

Shoemaker-Levy 9 and Plume-Forming Collisions on Earth

Computational models for the July, 1994 collision of comet Shoemaker Levy 9 with Jupiter have provided a framework for interpreting the observational data. Imaging, photometry, and spectroscopy data from ground-based, Hubble Space Telescope, and Galileo spacecraft instruments are consistent with phenomena that were dominated by the generation of incandescent fireballs that were ballistically ejected to high altitudes, where they formed plumes that subsequently collapsed over large areas of Jupiter's atmosphere. Applications of similar computational models to collisions into Earth's atmosphere show that a very similar sequence of events should take place for NEO impacts with energies as low as 3 megatons, recurring on 100 year timescales or less. This result suggests that the 1908 Tunguska event was a plume-forming atmospheric explosion, and that some of the phenomena associated with it might be related to the ejection and collapse of a high plume. Hazards associated with plume growth and collapse should be included in the evaluation of the impact threat to Earth, and opportunities should be sought for observational validation of atmospheric impact models by exploiting data already being collected from the natural flux of multikiloton to megaton sized objects that constantly enter Earth's atmosphere on annual to decadal timescales.

Boslough, Mark B. E.↗
DOE OSTI2025

MOOSE ProbML: Parallelizable Probabilistic Machine Learning and Uncertainty Quantification Capabilities

The Multiphysics Object Oriented Simulation Environment (MOOSE) is a widely used open- source finite element software for performing multiphysics multiscale simulations in a massively parallel fashion. Recently, the computational team at Idaho National Laboratory (INL) has implemented Probabilistic Machine Learning (ProbML) capabilities in MOOSE—in a parallelized fashion—and enable active learning with large-scale computational models for tasks such as surrogate model development, scale bridging, forward/inverse uncertainty quantification (UQ), Bayesian optimization, etc. This presentation summarizes these developments in MOOSE along with demonstrations on several real applications relevant to nuclear energy. At the fundamental level, samplers like Monte Carlo/Latin Hypercube, variance reduction, parallelized Markov Chain Monte Carlo (MCMC) support uncertainty propagation in both forward and inverse settings. These samplers can be integrated with the Gaussian processes (GP) suite in MOOSE, which offer several variants like scalar GPs, multi-output GPs, and deep GPs, to enable active learning. These GPs can be tuned using gradient-based optimization methods like Adam and its variants or gradient-free methods like the elliptical slice sampler (a variant of MCMC adept under Gaussian settings) for more complex covariance kernels or likelihoods whose gradient computations can be cumbersome. A variety of batch acquisition functions permit parallelized evaluation of the computational model and support different learning objectives with high efficiency like Bayesian inference, global surrogate development, optimization, etc. Furthermore, libtorch integration supports training, evaluation, and re-training of neural networks and other complex machine learning models in active learning settings. The impacts of these developments are shown on several real applications: (1) nuclear fuel inverse UQ and model inadequacy assessment using the Kennedy O’Hagan framework; (2) uncertainty aware surrogate modeling for additive manufacturing to predict field quantities; (3) nuclear reactor rare events analysis; and (4) complex fluid flow prediction using a global surrogate with quantified prediction uncertainty. Finally, the outlook of MOOSE ProbML is discussed for both outer-loop and inner-loop computations in the broad view to accelerate fuels and materials qualification, address gaps in knowledge and data, and assess new reactor/fuel systems.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2023

Solid-State Architecture Batteries for Enhanced Rechargeability and Safety (SABERS): Advanced Battery Technology for Sustainable Aviation

All-electric vertical take-off and landing vehicles (eVTOL) for urban air mobility (UAM) concepts face numerous challenging technical barriers before their introduction into the consumer marketplace. The primary barrier to overcome is developing an energy storage system capable of meeting the rigorous aerospace safety and performance criteria. The performance metrics for eVTOL vehicles are at least two times greater than those of electric ground vehicles. Furthermore, inherently non-flammable batteries are essential for safe operation of commercial electric aerovehicles. The SABERS concept proposes a battery that meets the key performance criteria through development of a solid-state architecture battery utilizing high-capacity sulfur-selenium cathode and lithium metal anode. The combination of sulfur and selenium offers a balanced energy-to-power density ratio, which can be tailored to the specific application by altering the stoichiometric ratios of sulfur to selenium. This hybrid cathode will be developed by implementing NASA patented holey graphene technology as a highly conductive, ultra-lightweight electrode scaffold. A solid-state electrolyte will be used as a safe, non-flammable replacement to the highly flammable liquid organic electrolytes currently used in SOA lithium-ion batteries. This solid-state lithium-sulfur/selenium cell will be designed into a serial stacking configuration to enable dense packaging of the battery cells. The serial stacking configuration is termed a bipolar stack, which has the advantages of reducing overall cell weight, simplifying the interfaced connections for the cell, and minimizing the cooling requirements. Lastly, optimization of battery components will occur through a robust and rigorous combination of various computational modeling techniques covering multiple length scales. The expected result will be a fully solid-state battery with operational temperatures up to 150 °C which provides the required energy density, discharge rates, and inherent safety to meet the strict aerospace mission performance criteria. This presentation will demonstrate a feasible path for solid-state cells that possess a specific energy of greater than 400 Wh/kg to enable electric aircraft. The presentation will also explore novel materials and computational models used to achieve all solid-state cells that operate safely at very high temperatures and specific energies. The cells can withstand damage while operating without an increase in temperature or spontaneous ignition.

Urban Air Mobility (UAM) Vehicles↗
NASA NTRS2003

Finite Element Modeling of a Cylindrical Contact Using Hertzian Assumptions

The turbine blades in the high-pressure fuel turbopump/alternate turbopump (HPFTP/AT) are subjected to hot gases rapidly flowing around them. This flow excites vibrations in the blades. Naturally, one has to worry about resonance, so a damping device was added to dissipate some energy from the system. The foundation is now laid for a very complex problem. The damper is in contact with the blade, so now there are contact stresses (both normal and tangential) to contend with. Since these stresses can be very high, it is not all that difficult to yield the material. Friction is another non-linearity and the blade is made out of a Nickel-based single-crystal superalloy that is orthotropic. A few approaches exist to solve such a problem and computer models, using contact elements, have been built with friction, plasticity, etc. These models are quite cumbersome and require many hours to solve just one load case and material orientation. A simpler approach is required. Ideally, the model should be simplified so the analysis can be conducted faster. When working with contact problems determining the contact patch and the stresses in the material are the main concerns. Closed-form solutions for non-conforming bodies, developed by Hertz, made out of isotropic materials are readily available. More involved solutions for 3-D cases using different materials are also available. The question is this: can Hertzian1 solutions be applied, or superimposed, to more complicated problems-like those involving anisotropic materials? That is the point of the investigation here. If these results agree with the more complicated computer models, then the analytical solutions can be used in lieu of the numerical solutions that take a very long time to process. As time goes on, the analytical solution will eventually have to include things like friction and plasticity. The models in this report use no contact elements and are essentially an applied load problem using Hertzian assumptions to determine the contact patch dimensions.

Knudsen, Erik↗
NASA NTRS2002

Statistical Sampling of Tide Heights Study

The goal of the study was to determine if it was possible to reduce the cost of verifying computational models of tidal waves and currents. Statistical techniques were used to determine the least number of samples required, in a given situation, to remain statistically significant, and thereby reduce overall project costs. Commercial, academic, and Federal agencies could benefit by applying these techniques, without the need to 'touch' every item in the population. For example, the requirement of this project was to measure the heights and times of high and low tides at 8,000 locations for verification of computational models of tidal waves and currents. The application of the statistical techniques began with observations to determine the correctness of submitted measurement data, followed by some assumptions based on the observations. Among the assumptions were that the data were representative of data-collection techniques used at the measurement locations, that time measurements could be ignored (that is, height measurements alone would suffice), and that the height measurements were from a statistically normal distribution. Sample means and standard deviations were determined for all locations. Interval limits were determined for confidence levels of 95, 98, and 99 percent. It was found that the numbers of measurement locations needed to attain these confidence levels were 55, 78, and 96, respectively.

Source record↗
DOE OSTI2026

Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications

One of the primary challenges in quantum chemistry is the accurate modeling of strong electron correlation. While multireference methods effectively capture such correlation, their steep scaling with system size prohibits their application to large molecules and extended materials. Quantum embedding offers a promising solution by partitioning complex systems into manageable subsystems. In this Review, we highlight recent advances in multireference density matrix embedding and localized active space self-consistent field approaches for complex molecules and extended materials. We discuss both classical implementations and the emerging potential of these methods on quantum computers. Here, by extending classical embedding concepts to the quantum landscape, these algorithms have the potential to expand the reach of multireference methods in quantum chemistry and materials.

Algorithms↗
DOE OSTI2017

Solar Models in Light of New High Metallicity Measurements from Solar Wind Data

We study the impact of new metallicity measurements, from solar wind data, on the solar model. The “solar modeling problem” refers to the persisting discrepancy between helioseismological observations and predictions of solar models computed implementing state-of-the-art photospheric abundances. We critically reassess the problem, in particular considering the new set of abundances of von Steiger and Zurbuchen, determined through the in situ collection of solar wind samples from polar coronal holes. This new set of abundances indicates a solar metallicity Z{sub ⊙}⩾0.0196±0.0014, significantly higher than the currently established value. The new values hint at an abundance of volatile elements (i.e., C, N, O, Ne) close to previous results of Grevesse and Sauval, whereas the abundance of refractory elements (i.e., Mg, Si, S, Fe) is considerably increased. Using the Linear Solar Model formalism, we determine the variation of helioseismological observables in response to the changes in elemental abundances, in order to explore the consistency of these new measurements with constraints from helioseismology. We find that for observables that are particularly sensitive to the abundance of volatile elements, in particular the radius of the convective zone boundary (CZB) and the sound speed around the radius of CZB, improved agreement over previous models is obtained. Conversely, the high abundance of refractories correlates with a higher core temperature, resulting in an overproduction of neutrinos and a huge increase in the surface helium abundance. We conclude that the “solar modeling problem” remains unsolved.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Assimilation of Multiscale Data into Multifidelity Biogeochemical Models (Final Report)

Quantitative predictions of subsurface processes rely on computational models that capture, with different degrees of fidelity, complex interactions between hydrologic and biogeochemical processes. Molecular- and pore-scale models provide a high-fidelity representation of these processes but are impractical at the field scale. Reduced complexity (e.g., field-scale or data-driven) models sacrifice some degree of fidelity in favor of computational efficiency. Uncertainty and assimilation of data into model predictions, pose a question of model selection: Given a significant difference in computational cost, can a lower-fidelity model be preferable to its higher-fidelity counterpart? Since a predictive model must be computable in reasonable time it has to operate at the field scale, with molecular- and pore-scale data (obtained either from simulations or measurements) determining both the model's structure and parameters. Availability of such multi-resolution data raises a question hitherto undressed in hydrogeology: Can a coarse model dynamically ``learn'' its own structure (e.g., adjust the reaction pathways in its transport module) as more fine-scale data become available during simulations? Our results in multifidelity simulations, data assimilation, and machine learning led us to hypothesize that the answer to these questions is ``yes''. The overarching goal of this project was to confirm this hypothesis by developing scalable, computationally efficient tools for assimilation of data into multiscale models, in which fine-scale data and simulations dynamically inform and autonomously modify coarse-scale models. Our research led to nine manuscripts, three of which have been published and the other six are currently under review.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2019

Modeling and Computation of Casting Process by Particle Method

Since particle-based computational methods, such as smoothed particle hydrodynamics (SPH) method, are suitable to treat free surfaces and moving boundaries, it is expected that the simulation with particle methods can represent more accurate molten metal flow. Hence, we apply the SPH method to some casting processes and validate the numerical results by comparing with experiments. While fluid behaviors of the transportation and the mold filling processes are expressed sufficiently, ladle pouring process of aluminum alloy is not reproduced by the existing scheme. So we developed a new numerical model of surface oxide film, and our numerical results show good agreement with the experimental data.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

High-Throughput Strategies that Encompass Experiments and Machine Learning to Predict the Mechanical Properties of Additive Manufactured Aerospace Alloys

Small Punch Test (SPT) uses a thin disk of material to predict mechanical properties. While SPT has existed for decades, it has been used largely as a qualitative evaluator of mechanical properties. Recent advances in computational modeling have enabled the extraction of uniaxial stress-strain response from the measured SPT load-displacement data. Due to small sample volumes and unidirectional testing, SPT is conducive to high-throughput automation and ideally suited to extract properties from high-cost materials. Aerospace alloys have been of recent interest to the Additive Manufacturing (AM) community due to AM’s unique ability to fabricate complex designs not possible, or extremely arduous, with conventional manufacturing. In this research, SPT, coupled with Materials Informatics and computational modeling, is used to develop relevant Process-Structure-Property relationships to decrease the cost and time of process optimization for AM aerospace alloys, namely Inconel 718, Inconel 625, and Niobium C103.

High-throughput Testing↗
NASA NTRS2004

Observing the Global Water Cycle from Space

This paper presents an approach to measuring all major components of the water cycle from space. Key elements of the global water cycle are discussed in terms of the storage of water-in the ocean, air, cloud and precipitation, in soil, ground water, snow and ice, and in lakes and rivers, and in terms of the global fluxes of water between these reservoirs. Approaches to measuring or otherwise evaluating the global water cycle are presented, and the limitations on known accuracy for many components of the water cycle are discussed, as are the characteristic spatial and temporal scales of the different water cycle components. Using these observational requirements for a global water cycle observing system, an approach to measuring the global water cycle from space is developed. The capabilities of various active and passive microwave instruments are discussed, as is the potential of supporting measurements from other sources. Examples of space observational systems, including TRMM/GPM precipitation measurement, cloud radars, soil moisture, sea surface salinity, temperature and humidity profiling, other measurement approaches and assimilation of the microwave and other data into interpretative computer models are discussed to develop the observational possibilities. The selection of orbits is then addressed, for orbit selection and antenna size/beamwidth considerations determine the sampling characteristics for satellite measurement systems. These considerations dictate a particular set of measurement possibilities, which are then matched to the observational sampling requirements based on the science. The results define a network of satellite instrumentation systems, many in low Earth orbit, a few in geostationary orbit, and all tied together through a sampling network that feeds the observations into a data-assimilative computer model.

Hildebrand, P. H.↗
NASA NTRS1995

Electromagnetic compatibility and the all-electric airplane

NASA is studying the feasibility of installing 'all-electric' controls in future commercial aircraft, replacing the current hydraulic and pneumatic systems. Planes utilizing such equipment should weigh less and be cheaper to maintain, but might also be susceptible to interference from undesired external electromagnetic fields. Possible sources of these extraneous signals include radio and television broadcasters, two-way communications stations, and radar installations of all kinds. One way to reduce the hazard would be to use fiber-optic cables to carry signals from the cockpit to the various points of use, a concept known as 'fly-by-light' or FBL. However, electrical circuits (PBW, or 'power-by-wire') would still be required at both ends of the cables to perform control functions, so the possibility of harmful interference would remain. Computer models for two different antennas were created in order to find the magnitude of the electric fields which would be generated in the airspace around them while in the transmit mode. The first antenna was a horizontal 'rhombic' used by the Voice of America (VOA) for long-distance short-wave broadcasting. The second antenna was a multi-element 'log-periodic dipole array' (LPDA) of a type often used for two-way radio communications. For each case, a specified amount of power was applied in the computer model, and the resulting electric field intensity was predicted at a variety of locations surrounding the antenna. This information will then be used to calculate the levels of interference which could occur inside an airplane flying in the vicinity of these radiation emitters.

Christman, Al↗
NASA NTRS1974

Analysis of RAE-1 inversion

The RAE-1 spacecraft inversion performed October 31, 1972 is described based upon the in-orbit dynamical data in conjunction with results obtained from previously developed computer simulation models. The computer simulations used are predictive of the satellite dynamics, including boom flexing, and are applicable during boom deployment and retraction, inter-phase coast periods, and post-deployment operations. Attitude data, as well as boom tip data, were analyzed in order to obtain a detailed description of the dynamical behavior of the spacecraft during and after the inversion. Runs were made using the computer model and the results were analyzed and compared with the real time data. Close agreement between the actual recorded spacecraft attitude and the computer simulation results was obtained.

Hedland, D. A.↗
NASA NTRS2003

Radiation Protection Studies of International Space Station Extravehicular Activity Space Suits

This publication describes recent investigations that evaluate radiation shielding characteristics of NASA's and the Russian Space Agency's space suits. The introduction describes the suits and presents goals of several experiments performed with them. The first chapter provides background information about the dynamic radiation environment experienced at ISS and summarized radiation health and protection requirements for activities in low Earth orbit. Supporting studies report the development and application of a computer model of the EMU space suit and the difficulty of shielding EVA crewmembers from high-energy reentrant electrons, a previously unevaluated component of the space radiation environment. Chapters 2 through 6 describe experiments that evaluate the space suits' radiation shielding characteristics. Chapter 7 describes a study of the potential radiological health impact on EVA crewmembers of two virtually unexamined environmental sources of high-energy electrons-reentrant trapped electrons and atmospheric albedo or "splash" electrons. The radiological consequences of those sources have not been evaluated previously and, under closer scrutiny. A detailed computational model of the shielding distribution provided by components of the NASA astronauts' EMU is being developed for exposure evaluation studies. The model is introduced in Chapters 8 and 9 and used in Chapter 10 to investigate how trapped particle anisotropy impacts female organ doses during EVA. Chapter 11 presents a review of issues related to estimating skin cancer risk form space radiation. The final chapter contains conclusions about the protective qualities of the suit brought to light form these studies, as well as recommendations for future operational radiation protection.

Cucinotta, Francis A.↗
NASA NTRS2012

Photogrammetry Measurements During a Tanking Test on the Space Shuttle External Tank, ET-137

On November 5, 2010, a significant foam liberation threat was observed as the Space Shuttle STS-133 launch effort was scrubbed because of a hydrogen leak at the ground umbilical carrier plate. Further investigation revealed the presence of multiple cracks at the tops of stringers in the intertank region of the Space Shuttle External Tank. As part of an instrumented tanking test conducted on December 17, 2010, a three dimensional digital image correlation photogrammetry system was used to measure radial deflections and overall deformations of a section of the intertank region. This paper will describe the experimental challenges that were overcome in order to implement the photogrammetry measurements for the tanking test in support of STS-133. The technique consisted of configuring and installing two pairs of custom stereo camera bars containing calibrated cameras on the 215-ft level of the fixed service structure of Launch Pad 39-A. The cameras were remotely operated from the Launch Control Center 3.5 miles away during the 8 hour duration test, which began before sunrise and lasted through sunset. The complete deformation time history was successfully computed from the acquired images and would prove to play a crucial role in the computer modeling validation efforts supporting the successful completion of the root cause analysis of the cracked stringer problem by the Space Shuttle Program. The resulting data generated included full field fringe plots, data extraction time history analysis, section line spatial analyses and differential stringer peak ]valley motion. Some of the sample results are included with discussion. The resulting data showed that new stringer crack formation did not occur for the panel examined, and that large amounts of displacement in the external tank occurred because of the loads derived from its filling. The measurements acquired were also used to validate computer modeling efforts completed by NASA Marshall Space Flight Center (MSFC).

Littell, Justin D.↗
DOE OSTI2025

Resolving femtosecond photoinduced energy flow: capture of nonadiabatic reaction pathway topography and wavepacket dynamics from photoexcitation through the conical intersection seam (Final Technical Report)

The dynamics that take place within just tens to hundreds of femtoseconds following the absorption of light by a molecule can play a critical role in how the absorbed energy is directed, allowing it to be used for a specific function or dissipated harmlessly. The form of chemical change that occurs rapidly in these molecules is called a “nonadiabatic electronic transition.” Such transitions are known to mediate energy flow in natural biological systems such as the ultraviolet photoprotection mechanism of DNA and the first step of the human vision response. Understanding how these mechanisms work precisely may help scientists achieve controlled manipulation of solar energy or optical control of a wide range of energy management functions in artificial systems. Experimental methods, however, have not yet allowed a precisely resolved and complete measurement of nonadiabatic electronic transitions. This constitutes a major obstacle to progress in the field. For progress to occur that would inform a wide body of research aiming to efficiently harness the energy of light for practical purposes, it is especially important to benchmark computational models of the molecules undergoing these rapid changes with experimental measurements, in order to learn which models are accurate. With Dept. of Energy funding, we have made strong progress towards establishing a new optical method for experimentally detecting the full nonadiabatic electronic transition. This requires having coordinated pulses of light covering the visible through the mid-infrared range of the electromagnetic spectrum that last only ten femtoseconds. We have developed a new, relatively simple approach for generating such pulses of laser light, and have incorporated them into a time-resolved spectrometer for measuring rapid changes in molecules. These tools can provide the greater precision and new types of data that are needed to benchmark computational models of molecular change and thus to make progress in the field. Our tools were tested on graphene, an excellent solid-state sample for verifying the capabilities and limitations of our instrumentation. The investment made in these tools by the Dept. of Energy Office of Science will allow new fundamental scientific understanding of energy dynamics in molecules in future studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗