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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
NASA NTRS2012

Lattice Thermal Conductivity from Atomistic Simulations: ZrB2 and HfB2

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

Lawson, John W.↗
NASA NTRS2012

Lattice Thermal Conductivity of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2 from Atomistic Simulations

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

Lawson, John W.↗
DOE OSTI2014

Current Trends in the Detection of Sociocultural Signatures: Data-Driven Models

The harvesting of behavioral data and their analysis through evidence-based reasoning enable the detection of sociocultural signatures in their context to support situation awareness and decision making. Harvested data are used as training materials from which to infer computational models of sociocultural behaviors or calibrate parameters for such models. Harvested data also serve as evidence input that the models use to provide insights about observed and future behaviors for targets of interest. The harvested data is often the result of assembling diverse data types and aggregating them into a form suitable for analysis. Data need to be analyzed to bring out the categories of content that are relevant to the domain being addressed in order to train or run a model. If, for example, we are modeling the intent of a group to engage in violent behavior using messages that the group has broadcasted, then these messages need to be processed to extract and measure indicators of violent intent. The extracted indicators and the associated measurements (e.g. rates or counts of occurrence) can then be used to train/calibrate and run computational models that assess the propensity for violence expressed in the source message. Ubiquitous access to the Internet, mobile telephony and technologies such as digital photography and digital video have enabled social media application platforms such as Facebook, YouTube, and Twitter that are altering the nature of human social interaction. The fast increasing pace of online social interaction introduces new challenges and opportunities for gathering sociocultural data. Challenges include the development of harvesting and processing techniques tailored to new data environments and formats (e.g. Twitter, Facebook), the integration of social media content with traditional media content, and the protection of personal privacy. As these and other challenges are addressed, a new wealth of behavioral data and data analysis methods becomes available that are shaping social computing as a strongly data-driven experimental discipline with an increasingly stronger impact on the decision-making process of groups and individuals alike. In this chapter, we review current advances and trends in the detection of sociocultural signatures. Specific embodiments of the issues discussed are provided with respect to the assessment of violent intent and sociopolitical contention. We begin by reviewing current approaches to the detection of sociocultural signatures in these domains. Next, we turn to the review of novel data harvesting methods for social media content. Finally, we discuss the application of sociocultural models to social media content, and conclude by commenting on current challenges and future developments.

Sanfilippo, Antonio P.↗
DOE OSTI2015

Predicting X-ray diffuse scattering from translation–libration–screw structural ensembles

A method of simulating X-ray diffuse scattering from multi-model PDB files is presented. Despite similar agreement with Bragg data, different translation–libration–screw refinement strategies produce unique diffuse intensity patterns. Identifying the intramolecular motions of proteins and nucleic acids is a major challenge in macromolecular X-ray crystallography. Because Bragg diffraction describes the average positional distribution of crystalline atoms with imperfect precision, the resulting electron density can be compatible with multiple models of motion. Diffuse X-ray scattering can reduce this degeneracy by reporting on correlated atomic displacements. Although recent technological advances are increasing the potential to accurately measure diffuse scattering, computational modeling and validation tools are still needed to quantify the agreement between experimental data and different parameterizations of crystalline disorder. A new tool, phenix.diffuse, addresses this need by employing Guinier’s equation to calculate diffuse scattering from Protein Data Bank (PDB)-formatted structural ensembles. As an example case, phenix.diffuse is applied to translation–libration–screw (TLS) refinement, which models rigid-body displacement for segments of the macromolecule. To enable the calculation of diffuse scattering from TLS-refined structures, phenix.tls-as-xyz builds multi-model PDB files that sample the underlying T, L and S tensors. In the glycerophosphodiesterase GpdQ, alternative TLS-group partitioning and different motional correlations between groups yield markedly dissimilar diffuse scattering maps with distinct implications for molecular mechanism and allostery. These methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1975

Orbital maneuvering engine feed system coupled stability investigation

A digital computer model used to analyze and predict engine feed system coupled instabilities over a frequency range of 10 to 1000 Hz was developed and verified. The analytical approach to modeling the feed system hydrodynamics, combustion dynamics, chamber dynamics, and overall engineering model structure is described and the governing equations in each of the technical areas are presented. This is followed by a description of the generalized computer model, including formulation of the discrete subprograms and their integration into an overall engineering model structure. The operation and capabilities of the engineering model were verified by comparing the model's theoretical predictions with experimental data from an OMS-type engine with a known feed system/engine chugging history.

Kahn, D. R.↗
NASA NTRS1988

Progress in InP solar cell research

Progress, in the past year, in InP solar cell research is reviewed. Small area cells with AMO, total area efficiencies of 18.8 percent were produced by OMCVD and Ion Implantation. Larger area cells (2 and 4 sq cm) were processed on a production basis. One thousand of the 2 sq cm cells will be used to supply power to a small piggyback lunar orbiter scheduled for launch in February 1990. Laboratory tests of ITO/InP cells, under 10 MeV proton irradiation, indicate radiation resistance comparable to InP n/p homojunction cells. Computer modeling studies indicate that, for identical geometries and dopant concentrations, InP solar cells are significantly more radiation resistant than GaAs under 1 MeV electron irradiation. Additional computer modeling calculations were used to produce rectangular and circular InP concentrator cell designs for both the low concentration SLATS and higher concentration Cassegrainian Concentrators.

Weinberg, Irving↗
NASA NTRS1988

Progress in InP solar cell research

Progress, in the past year, in InP solar cell research is reviewed. Small area cells with AMO, total area efficiencies of 18.8 percent were produced by OMCVD and Ion Implantation. Larger area cells (2 and 4 sq cm) were processed on a production basis. One thousand of the 2 sq cm cells will be used to supply power to a small piggyback lunar orbiter scheduled for launch in February 1990. Laboratory tests of ITO/InP cells, under 10 MeV proton irradiation, indicate radiation resistance comparable to InP n/P homojunction cells. Computer modeling studies indicate that, for identical geometries and dopant concentrations, InP solar cells are significantly more radiation resistant than GaAs under 1 MeV electron irradiation. Additional computer modeling calculations were used to produce rectangular and circular InP concentrator cell designs for both the low concentration SLATS and higher concentration Cassegrainian Concentrators.

Weinberg, I.↗
NASA NTRS1993

Establishing a relationship between maximum torque production of isolated joints to simulate EVA ratchet push-pull maneuver: A case study

As manned exploration of space continues, analytical evaluation of human strength characteristics is critical. These extraterrestrial environments will spawn issues of human performance which will impact the designs of tools, work spaces, and space vehicles. Computer modeling is an effective method of correlating human biomechanical and anthropometric data with models of space structures and human work spaces. The aim of this study is to provide biomechanical data from isolated joints to be utilized in a computer modeling system for calculating torque resulting from any upper extremity motions: in this study, the ratchet wrench push-pull operation (a typical extravehicular activity task). Established here are mathematical relationships used to calculate maximum torque production of isolated upper extremity joints. These relationships are a function of joint angle and joint velocity.

Pandya, Abhilash↗
DOE OSTI2016

Tractable Experiment Design via Mathematical Surrogates

This presentation summarizes the development and implementation of quantitative design criteria motivated by targeted inference objectives for identifying new, potentially expensive computational or physical experiments. The first application is concerned with estimating features of quantities of interest arising from complex computational models, such as quantiles or failure probabilities. A sequential strategy is proposed for iterative refinement of the importance distributions used to efficiently sample the uncertain inputs to the computational model. In the second application, effective use of mathematical surrogates is investigated to help alleviate the analytical and numerical intractability often associated with Bayesian experiment design. This approach allows for the incorporation of prior information into the design process without the need for gross simplification of the design criterion. Illustrative examples of both design problems will be presented as an argument for the relevance of these research problems.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Modeling of A Large-Scale Liquid Oxygen Propellant Transfer Test

Current planned NASA missions to the Moon and Mars involve the transfer of cryogenic propellants in orbit. Correctly predicting the flow rate during the propellant transfer operation could help with planning these operations. In lieu of expensive tests conducted on-orbit, accurate predictive computational models of these propellant transfer processes can be used to predict the propellant transfer flow rate. To gain confidence in these computational models, appropriate anchoring and validation to experimental data can be performed. Ground tests conducted at SpaceX involving the transfer of liquid oxygen were carried out to investigate the effect of the thermodynamic conditions including inlet pressure and temperature and downstream pressure on the flow rate. The results from the test were compared against flow rate predictions from a commercially available two-phase flow software. On average the model predicted the flow rates within 10% of the experimentally observed flow rates for the full range of thermodynamic inlet and outlet conditions.

Daniel Hauser↗
DOE OSTI2015

Improving Wind Turbine Drivetrain Reliability Using a Combined Experimental, Computational, and Analytical Approach

Nontorque loads induced by the wind turbine rotor overhang weight and aerodynamic forces can greatly affect drivetrain loads and responses. If not addressed properly, these loads can result in a decrease in gearbox component life. This work uses analytical modeling, computational modeling, and experimental data to evaluate a unique drivetrain design that minimizes the effects of nontorque loads on gearbox reliability: the Pure Torque(R) drivetrain developed by Alstom. The drivetrain has a hub-support configuration that transmits nontorque loads directly into the tower rather than through the gearbox as in other design approaches. An analytical model of Alstom's Pure Torque drivetrain provides insight into the relationships among turbine component weights, aerodynamic forces, and the resulting drivetrain loads. Main shaft bending loads are orders of magnitude lower than the rated torque and are hardly affected by wind conditions and turbine operations.

17 WIND ENERGY↗
DOE OSTI2024

Computational multiphysics modeling of radioactive aerosol deposition in diverse human respiratory tract geometries

The evaluation of aerosol exposure relies on generic mathematical models that assume uniform particle deposition profiles over the human respiratory tract and do not account for subject-specific characteristics. Here we introduce a hybrid-automated computational workflow that generates personalized particle deposition profiles in 3D reconstructed human airways from computed tomography scans using Computational Fluid and Particle Dynamics simulations. This is the first large-scale study to consider realistic airways variability, where 380 lower and 40 upper human respiratory tract 3D geometries are reconstructed and parameterized. The data is clustered into nine groups using random forest regression. Computational fluid and particle dynamics simulations are conducted on these representative geometries using a realistic heavy-breathing respiratory cycle and radioactive iodine-131 as a source term. Monte Carlo radiation transport simulations are performed to obtain detailed energy deposition maps. Our findings emphasize the importance of personalized studies, as minor respiratory tract variations notably influence deposition patterns rather than global parameters of the lower airways, observing more than 30% variance in the mass deposition fraction.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS1978

Prediction of nearfield jet entrainment by an interactive mixing/afterburning model

The development of a computational model (BOAT) for calculating nearfield jet entrainment, and its application to the prediction of nozzle boattail pressures, is discussed. BOAT accounts for the detailed turbulence and thermochemical processes occurring in the nearfield shear layers of jet engine (and rocket) exhaust plumes while interfacing with the inviscid exhaust and external flowfield regions in an overlaid, interactive manner. The ability of the model to analyze simple free shear flows is assessed by detailed comparisons with fundamental laboratory data. The overlaid methodology and the entrainment correction employed to yield the effective plume boundary conditions are assessed via application of BOAT in conjunction with the codes comprising the NASA/LRC patched viscous/inviscid model for determining nozzle boattail drag for subsonic/transonic external flows. Comparisons between the predictions and data on underexpanded laboratory cold air jets are presented.

Dash, S. M.↗
NASA NTRS1986

A model of Comet P/Giacobini-Zinner

A computer model of Comet P/Giacobini-Zinner is presented which contains photoprocesses, gas-phase chemical kinetics, energy balance, multifluid hydrodynamics with a transition to free molecular flow, and solar wind interaction. Recently the physics for electrons in the model has been improved by including electron impact ionization and dissociation and separately accounting for electron energetics. Electron heating and cooling mechanisms include photoprocesses, recombination processes, inelastic and elastic collisions with heavy molecules, and expansion cooling. The model incorporates an internally consistent interaction of the solar wind with the coma gas using the axisymmetric ideal fluid dynamic equations. The nuclear size and composition have been chosen to make the calculations relevant to the September 11, 1985 International Cometary Explorer (ICE) encounter with Comet P/Giacobini-Zinner. Model profiles of the temperature, velocity, and number density of the electrons are in good agreement with measurements along ICE's trajectory. The results indicate the probe passed through a region of the coma at the onset of the plasma tail.

Boice, D. C.↗
NASA NTRS2001

Shuttle Spacesuit: Fabric/LCVG Model Validation

A detailed spacesuit computational model is being developed at the Langley Research Center for radiation exposure evaluation studies. The details of the construction of the spacesuit are critical to estimation of exposures and assessing the risk to the astronaut on EVA. Past evaluations of spacesuit shielding properties assumed the basic fabric lay-up (Thermal Micrometeroid Garment, fabric restraints, and pressure envelope) and Liquid Cooling and Ventilation Garment (LCVG) could be homogenized as a single layer overestimating the protective properties over 60 percent of the fabric area. The present spacesuit model represents the inhomogeneous distributions of LCVG materials (mainly the water filled cooling tubes). An experimental test is performed using a 34-MeV proton beam and highresolution detectors to compare with model-predicted transmission factors. Some suggestions are made on possible improved construction methods to improve the spacesuit's protection properties.

Wilson, J. W.↗
NASA NTRS2001

Shuttle Spacesuit (Radiation) Model Development

A detailed spacesuit computational model is being developed at the Langley Research Center for exposure evaluation studies. The details of the construction of the spacesuit are critical to an estimate of exposures and for assessing the health risk to the astronaut during extravehicular activity (EVA). Fine detail of the basic fabric structure, helmet, and backpack is required to assure a valid evaluation. The exposure fields within the Computerized Anatomical Male (CAM) and Female (CAF) are evaluated at 148 and 156 points, respectively, to determine the dose fluctuations within critical organs. Exposure evaluations for ambient environments will be given and potential implications for geomagnetic storm conditions discussed.

Anderson, Brooke M.↗