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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Analysis of contact conditions and microstructure evolution in shear assisted processing and extrusion using smoothed particle hydrodynamics method

Shear assisted processing and extrusion (ShAPE) is a solid-phase processing technique that adds an additional shear force as compared with a conventional extrusion approach. Recently, ShAPE has demonstrated the capability of extruding high-performance aluminum alloy 7075 (AA7075) tubes at speeds up to 12.2 m/min without surface tearing. However, the relationship among the ShAPE processing parameters, thermomechanical conditions, contact conditions, heat generation, and microstructure evolution remains primarily empirical because an insightful understanding of the associated physics is still lacking. To help elucidate these relationships, this work proposes a thermomechanical meshfree model for the first time for ShAPE processing of AA7075 using the smoothed particle hydrodynamics (SPH) method. The meshfree model is first validated thoroughly by experimental data in terms of material flow, die face temperature, and extrusion force with various processing parameters. The validated model is then used to analyze the steady-state contact conditions and heat generation rates during ShAPE processing. Distributions of the average grain size of AA7075 being extruded are calculated using the SPH model output. The meshfree model results reveal that extrusions conducted at lower temperatures and higher strain rates yield more refined grains and possibly higher material strength, which is also consistent with the experimental observations.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Machine Learning Force Field Parameters from Ab Initio Data

Machine learning (ML) techniques with the genetic algorithm (GA) have been applied to determine a polarizable force field parameters using only ab initio data from quantum mechanics (QM) calculations of molecular clusters at the MP2/6-31G(d,p), DFMP2(fc)/jul-cc-pVDZ, and DFMP2(fc)/jul-cc-pVTZ levels to predict experimental condensed phase properties (i.e., density and heat of vaporization). The performance of this ML/GA approach is demonstrated on 4943 dimer electrostatic potentials and 1250 cluster interaction energies for methanol. Excellent agreement between the training data set from QM calculations and the optimized force field model was achieved. Our results were further improved by introducing an offset factor during the machine learning process to compensate for the discrepancy between the QM calculated energy and the energy reproduced by optimized force field, while maintaining the local “shape” of the QM energy surface. Throughout the machine learning process, experimental observables were not involved in the objective function, but were only used for model validation. The best model, optimized from the QM data at the DFMP2(fc)/jul-cc-pVTZ level, appears to perform even better than the original AMOEBA force field (amoeba09.prm), which was optimized empirically to match liquid properties. The present effort shows the possibility of using machine learning techniques to develop descriptive polarizable force field using only QM data. The ML/GA strategy to optimize force fields parameters described here could easily be extended to other molecular systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Challenges and Opportunities in Magnetospheric Space Weather Prediction

Abstract Space Weather is the study of the dynamics of the coupled Solar‐Terrestrial environment, as these dynamics impact technological systems and human activity. This paper reviews a selection of the advances, challenges, and new opportunities for magnetospheric space weather, and while the focus is on specific phenomena, many other aspects of space weather will have similar challenges and needs. As a scientific field with direct applications, the field of space weather is partly driven by imperatives from both policy and operations. We provide an introduction to some of the context in which the field exists and discuss how this might shape future developments and norms within the space weather enterprise. We briefly examine benchmarking, as a policy and operationally driven activity, as it provides immediate societal relevance and an opportunity to stretch scientific understanding. As numerical space weather prediction now becomes routine, and exascale computing is in the near future, we identify challenges relating to computational expense and big data, capturing and accounting for uncertainties, and specification of boundary conditions. Here, as with the observations supporting numerical space weather prediction, the key challenge lies in extending the lead time of predictions. We also discuss the role of data, particularly in regard to model validation and empirical modeling. Due to the growing societal impact of space weather, we also examine the relationships between space weather and its terrestrial counterpart and look at the importance of continuous evaluation, monitoring progress in predictive capability, and communication with researchers, forecasters, and end users.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Quench protection studies of the 11-T Nb 3 Sn dipole for the LHC upgrade

The planned upgrade of the LHC collimation system foresees additional collimators to be installed in the dispersion suppressor areas. Fermilab and CERN are developing an 11 T Nb 3 Sn dipole to replace some 8.33 T-15-m-long Nb-Ti LHC main dipoles providing longitudinal space for the collimators. In case of a quench, the large stored energy and the low copper stabilizer fraction make the protection of the 11 T Nb 3 Sn dipoles challenging. This paper presents the results of quench protection analysis, including quench protection heater design and efficiency, quench propagation and coil heating. The numerical results are compared with the experimental data from the 2-m-long Nb 3 Sn dipole models. Here, the validated model is used to predict the current decay and hot spot temperature under operating conditions in the LHC and the presently foreseen magnet protection scheme is discussed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2012

Thermochimica User Manual – v1.0

A new software library called Thermochimica has been developed that determines a unique combination of phases and their compositions at thermochemical equilibrium. The development of Thermochimica in this research is aimed at direct integration in multi-physics codes and to address several concerns with using commercially available software, including: licensing entanglements associated with code distribution, access to the source code, convenient incorporation into other codes with quality assurance considerations, and computational performance. In particular, significant research efforts have been dedicated to enhance computational performance through advanced algorithm development, such as improved estimation techniques and non-linear solvers. The overall goal of this undertaking is to provide an open source computational tool to enhance the predictive capability of multiphysics codes without significantly impeding computational performance. The purpose of this document is to describe the design of Thermochimica and the basic use of the software library. A brief background to computational thermodynamics and the conditions for thermodynamic equilibrium is given in §2, details of the code development is discussed in §3, details of building and compiling Thermochimica is given in §4, specific programming details for each subroutine in the library is given in the Appendix. The open license for Thermochimica is provided with the source code. As is always the case, software quality assurance (SQA) is an extremely important subject in software development. The importance of this warrants an independent document dedicated to SQA, which has been developed in parallel to this document. The subject of thermodynamic model validation is also of extreme importance in scientific computing and must be given careful attention. To be clear, this document is concerned with the development and use of a general thermodynamic solver and the validation of any models should be included in the discussion of the development of a thermodynamic model that is specific to a particular system.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Direct Utilization of Coal Syngas in High Temperature Fuel Cells

This EPSCoR project had two primary goals: (i) to build infrastructure and work force at WVU to support long-term research in the area of fuel cells and related sciences; (ii) study effects of various impurities found in coal-syngas on performance of Solid Oxide Fuel Cells (SOFC). As detailed in this report the WVU research team has made significant accomplishments in both of these areas. What follows is a brief summary of these accomplishments: State-of-the-art test facilities and diagnostic tools have been built and put into use. These include cell manufacturing, half-cell and full-cell test benches, XPS, XRD, TEM, Raman, EDAX, SEM, EIS, and ESEM equipment, unique in-situ measurement techniques and test benches (Environmental EM, Transient Mass-Spectrometer-MS, and IR Optical Temperature measurements). In addition, computational capabilities have been developed culminating in a multi-scale multi-physics fuel cell simulation code, DREAM-SOFC, as well as a Beowulf cluster with 64 CPU units. We have trained 16 graduate students, 10 postdoctoral fellows, and recruited 4 new young faculty members who have actively participated in the EPSCoR project. All four of these faculty members have already been promoted to the tenured associate professor level. With the help of these faculty and students, we were able to secure 14 research awards/contracts amounting to a total of circa $5.0 Million external funding in closely related areas of research. Using the facilities mentioned above, the effects of PH3, HCl, Cl2, and H2S on cell performance have been studied in detail, mechanisms have been identified, and also remedies have been proposed and demonstrated in the laboratory. For example, it has been determined that PH3 reacts rapidly with Ni to from secondary compounds which may become softer or even melt at high temperature and then induce Ni migration to the surface of the cell changing the material and micro-structural properties of the cell drastically. It is found that the extent of steam and current load accelerate the degradation caused by PH3. A unique filtering technique has been proposed to reduce the effect of PH3. In addition, various cell materials have been proposed to reduce the rate of degradation caused by H2S. Furthermore, a three-dimensional, transient multi-physics model has been formulated to describe primary transport processes and electro-chemical reactions occurring within the cell. This model has been validated using data gathered from accelerated tests. The validated model then has been used to study the degradation rates under a range of operating conditions and impurity levels. This has resulted in a procedure that uses both experiments and simulations to predict the life-time of a cell operating with syngas with known concentration of trace impurities. Finally all the experience and knowledge gained has been disseminated via 39 journal papers and 43 presentations/posters/conference papers.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2016

Development and Validation of Accident Models for FeCrAl Cladding

The purpose of this milestone report is to present the work completed in regards to material model development for FeCrAl cladding and highlight the results of applying these models to Loss of Coolant Accidents (LOCA) and Station Blackouts (SBO). With the limited experimental data available (essentially only the data used to create the models) true validation is not possible. In the absence of another alternative, qualitative comparisons during postulated accident scenarios between FeCrAl and Zircaloy-4 cladded rods have been completed demonstrating the superior performance of FeCrAl.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Development and Validation of Accident Models for U 3 Si 2

The purpose of this milestone report is to present the work completed in regards to material model development for U 3 Si 2 fuel and highlight the results of applying these models to Reactivity Initiated Accidents (RIA), Loss of Coolant Accidents (LOCA), and Station Blackouts (SBO). With the limited experimental data available (essentially only the data used to create the models) true validation is not possible. In the absence of another alternative, code-to-code comparisons have been completed. Qualitative comparisons during postulated accident scenarios between U 3 Si 2 and UO 2 fueled rods have also been completed demonstrating the superior performance of U 3 Si 2 .

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

SCM-Forcing Data

Single-Column Model (SCM) Forcing Data are derived from the ARM facility observational data using the constrained variational analysis approach (Zhang and Lin 1997 and Zhang et al., 2001). The resulting products include both the large-scale forcing terms and the evaluation fields, which can be used for driving the SCMs and Cloud Resolving Models (CRMs) and validating model simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Bifacial Vertical Testbed and Ground Irradiance Data in Golden, Colorado

This data was collected for Tonita et al., “Vertical bifacial photovoltaic system model validation: study with field data, various orientations, and latitudes,” for validation of optical models for vertically-oriented photovoltaics under high albedo. Ground irradiance data for vertical PV arrays modeling in agrivoltaics is also provided. The dataset is provided for further use or study as open source. For any questions on the dataset, email silvana.ovaitt@nlr.gov.

14 SOLAR ENERGY↗
NASA NTRS1981

Modeling a beaver population on the Prescott Peninsula, Massachusetts: Feasibility of LANDSAT as an input

A preliminary dynamic model of beaver spatial distribution and population growth was developed. The feasibility of locating beaver ponds on LANDSAT digital tapes, and of using this information to provide initial conditions of beaver spatial distribution for the model, and to validate model predictions is discussed. The techniques used to identify beaver ponds on LANDSAT are described.

Finn, J. T.↗
NASA NTRS1989

COLD-SAT: A technology satellite for cryogenic experimentation

NASA-Lewis (LeRC) is involved in the development and validation of analytical models which describe the fluid dynamic and thermodynamic processes associated with the storage, acquisition and transfer of subcritical cryogenic fluids in low gravity. Four concurrent studies, including one in-house at LeRC, are underway to determine the feasibility of performing model validation experiments aboard a free-flying spacecraft (S/C) called Cryogenic On-Orbit Liquid Depot-Storage, Acquisition and Transfer (COLD-SAT), using liquid hydrogen as the cryogen. The technology requirements for the experiments are described along with the initial LeRC concepts for the S/C and an experiment subsystem comprising of cryogenic tankage (a supply dewar and three receiver tanks), gas pressurization bottles (both helium and autogenous hydrogen), their associated plumbing, and instrumentation for data collection. Experiments were categorized into enabling/high priority Class 1 technologies and component/system Class 2 demonstrations. As initially envisioned by LeRC, COLD-SAT would have had a 1997 launch aboard a Delta-2 for a 6 month active lifetime in a 925 km orbit with a pseudo-inertial attitude.

Arif, H.↗
NASA NTRS1990

Field testing of thermal canopy models in a spruce-fir forest

Recent advances in remote sensing technology allow the use of the thermal infrared region to gain information about vegetative surfaces. Extending existing models to account for thermal radiance transfers within rough forest canopies is of paramount importance. This is so since all processes of interest in the physical climate system and biogeochemical cycles are thermally mediated. Model validation experiments were conducted at a well established boreal forest; northern hardwood forest ecotone research site located in central Maine. Data was collected to allow spatial and temporal validation of thermal models. Emphasis was placed primarily upon enhancing submodels of stomatal behavior, and secondarily upon enhancing boundary layer resistance submodels and accounting for thermal storage in soil and vegetation.

Source record↗
NASA NTRS1992

Airborne lidar mapping of vertical ozone distributions in support of the 1990 Clean Air Act Amendments

The 1990 Clean Air Act Amendments mandated attainment of the ozone standard established by the U.S. Environmental Protection Agency. Improved photochemical models validated by experimental data are needed to develop strategies for reducing near surface ozone concentrations downwind of urban and industrial centers. For more than 10 years, lidar has been used on large aircraft to provide unique information on ozone distributions in the atmosphere. However, compact airborne lidar systems are needed for operation on small aircraft of the type typically used on regional air quality investigations to collect data with which to develop and validate air quality models. Data presented in this paper will consist of a comparison between airborne differential absorption lidar (DIAL) and airborne in-situ ozone measurements. Also discussed are future plans to improve the airborne ultraviolet-DIAL for ozone and other gas observations and addition of a Fourier Transform Infrared (FTIR) emission spectrometer to investigate the effects of other gas species on vertical ozone distribution.

Uthe, Edward E.↗
NASA NTRS1990

COLD-SAT - A technology satellite for cryogenic experimentation

NASA-Lewis (LeRC) is involved in the development and validation of analytical models which describe the fluid dynamic and thermodynamic processes associated with the storage, acquisition and transfer of subcritical cryogenic fluids in low gravity. Four concurrent studies, including one in-house at LeRC, are underway to determine the feasibility of performing model validation experiments aboard a free-flying spacecraft (S/C) called Cryogenic On-Orbit Liquid Depot-Storage, Acquisition and Transfer (COLD-SAT), using liquid hydrogen as the cryogen. The technology requirements for the experiments are described along with the initial LeRC concepts for the S/C and an experiment subsystem comprising of cryogenic tankage (a supply dewar and three receiver tanks), gas pressurization bottles (both helium and autogenous hydrogen), their associated plumbing, and instrumentation for data collection. Experiments were categorized into enabling/high priority Class 1 technologies and component/system Class 2 demonstrations. As initially envisioned by LeRC, COLD-SAT would have had a 1997 launch aboard a Delta-2 for a 6 month active lifetime in a 925 km orbit with a pseudo-inertial attitude.

Arif, H.↗
NASA NTRS2000

Numerical Modeling Studies of Wake Vortex Transport and Evolution Within the Planetary Boundary Layer

The fundamental objective of this research is study behavior of aircraft wake vortices within atmospheric boundary layer (ABL) in support of developing the system, Aircraft VOrtex Spacing System (AVOSS), under NASA's Terminal Area Productivity (TAR) program that will control aircraft spacing within the narrow approach corridors of airports. The purpose of the AVOSS system is to increase airport capacity by providing a safe reduction in separation of aircraft compared to the now-existing flight rules. In our first funding period (7 January 19994 - 6 April 1997), we have accomplished extensive model development and validation of ABL simulations. Using the validated model, in our second funding period (7 April 1997 - 6 April 2000) we have investigated the effects of ambient atmospheric turbulence on vortex decay and descent, Crow instability, and wake vortex interaction with the ground. Recognizing the crucial influence of ABL turbulence on wake vortex behavior, we have also developed a software generating vertical profiles of turbulent kinetic energy (TKE) or energy dissipation rate (EDR), which are, in turn, used as input data in the AVOSS prediction algorithms.

Lin, Yuh-Lang↗
NASA NTRS2008

Thermal Model Development for Ares I-X

Thermal analysis for the Ares I-X vehicle has involved extensive thermal model integration, since thermal models of vehicle elements came from several different NASA and industry organizations. Many valuable lessons were learned in terms of model integration and validation. Modeling practices such as submodel, analysis group and symbol naming were standardized to facilitate the later model integration. Upfront coordination of coordinate systems, timelines, units, symbols and case scenarios was very helpful in minimizing integration rework. A process for model integration was developed that included pre-integration runs and basic checks of both models, and a step-by-step process to efficiently integrate one model into another. Extensive use of model logic was used to create scenarios and timelines for avionics and air flow activation. Efficient methods of model restart between case scenarios were developed. Standardization of software version and even compiler version between organizations was found to be essential. An automated method for applying aeroheating to the full integrated vehicle model, including submodels developed by other organizations, was developed.

Amundsen, Ruth M.↗