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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Incorporating Oxygen Uncoupling Kinetics into Computational Fluid Dynamic Simulations of a Chemical Looping System

Chemical looping with oxygen uncoupling (CLOU) is a carbon-capture technology that utilizes a metal oxide as an oxygen carrier to separate oxygen from air and releases gaseous O 2 into a reactor where fuel is fed. Earlier experimental and simulated work has been performed on systems less than 1 MW. Previous work has been limited to one-dimensional kinetic simulations. Literature kinetics were modified to work in a Barracuda-VR simulation package. A simplified spreadsheet model was used to verify the Barracuda-VR simulation adaption of the kinetics to previously published results. The simulated kinetics, literature models, and raw data matched well. The adapted kinetics were then incorporated into a 10 kW dual bubbling bed CLOU system three-dimensional simulation. The simulations predicted carbon capture efficiency similar to that reported previously for similar systems. The solid circulation rate, temperature profile, and gas concentration profiles followed the expected trends. The overall three-dimensional simulation of kinetics showed reasonable results for what has been previously reported.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

By Hand or Not By-Hand: A Case Study of Alternative Approaches to Parallelize CFD Applications

While parallel processing promises to speed up applications by several orders of magnitude, the performance achieved still depends upon several factors, including the multiprocessor architecture, system software, data distribution and alignment, as well as the methods used for partitioning the application and mapping its components onto the architecture. The existence of the Gorden Bell Prize given out at Supercomputing every year suggests that while good performance can be attained for real applications on general purpose multiprocessors, the large investment in man-power and time still has to be repeated for each application-machine combination. As applications and machine architectures become more complex, the cost and time-delays for obtaining performance by hand will become prohibitive. Computer users today can turn to three possible avenues for help: parallel libraries, parallel languages and compilers, interactive parallelization tools. The success of these methodologies, in turn, depends on proper application of data dependency analysis, program structure recognition and transformation, performance prediction as well as exploitation of user supplied knowledge. NASA has been developing multidisciplinary applications on highly parallel architectures under the High Performance Computing and Communications Program. Over the past six years, the transition of underlying hardware and system software have forced the scientists to spend a large effort to migrate and recede their applications. Various attempts to exploit software tools to automate the parallelization process have not produced favorable results. In this paper, we report our most recent experience with CAPTOOL, a package developed at Greenwich University. We have chosen CAPTOOL for three reasons: 1. CAPTOOL accepts a FORTRAN 77 program as input. This suggests its potential applicability to a large collection of legacy codes currently in use. 2. CAPTOOL employs domain decomposition to obtain parallelism. Although the fact that not all kinds of parallelism are handled may seem unappealing, many NASA applications in computational aerosciences as well as earth and space sciences are amenable to domain decomposition. 3. CAPTOOL generates code for a large variety of environments employed across NASA centers: MPI/PVM on network of workstations to the IBS/SP2 and CRAY/T3D.

Yan, Jerry C.↗
NASA NTRS2003

Predicting and Managing Lighting and Visibility for Human Operations in Space

Lighting is critical to human visual performance. On earth this problem is well understood and solutions are well defined and executed. Because the sun rises and sets on average every 45 minutes during Earth orbit, humans working in space must cope with ~ extremely dynamic lighting conditions varying from very low light conditions to severe glare and contrast conditions. For critical operations, it is essential that lighting conditions be predictable and manageable. Mission planners need to detelmine whether low-light video cameras are required or whether additional luminaires, or lamps, need to be flown . Crew and flight directors need to have up to date daylight orbit time lines showing the best and worst viewing conditions for sunlight and shadowing. Where applicable and possible, lighting conditions need to be part of crew training. In addition, it is desirable to optimize the quantity and quality of light because of the potential impacts on crew safety, delivery costs, electrical power and equipment maintainability for both exterior and interior conditions. Addressing these issues, an illumination modeling system has been developed in the Space Human Factors Laboratory at ASA Johnson Space Center. The system is the integration of a physically based ray-tracing package ("Radiance"), developed at the Lawrence Berkeley Laboratories, a human factors oriented geometric modeling system developed by NASA and an extensive database of humans and their work environments. Measured and published data has been collected for exterior and interior surface reflectivity; luminaire beam spread distribution, color and intensity and video camera light sensitivity and has been associated with their corresponding geometric models. Selecting an eye-point and one or more light sources, including sun and earthshine, a ~ snapshot of the light energy reaching the surfaces or reaching the eye point is computed. This energy map is then used to extract the required information needed for useful predictions. Using a validated, comprehensive illumination model integrated with empirically derived data, predictions of lighting and viewing conditions have been successfully used for Shuttle and Space Station planning and assembly operations. It has successfully balanced the needs for adequate human performance with the utili zation of resources. Keywords: Modeling, ray tracing, luminaires, refl ectivity, luminance, illuminance.

Maida, James C.↗
DOE OSTI2015

Structural and magnetic phase transition in samarium hydrogen system SmH{sub x} (x=1, 2, 3)

We report ab-initio calculations for the structural and magnetic phase transition of SmH{sub x} (x= 1, 2, 3) using the Vienna ab-initio simulation package (VASP). The non-spin polarized (NSP) and spin polarized (SP) calculations are performed for these hydrides at normal and high pressure. It is found that these compounds are stable in ferromagnetic state at normal pressure. The calculated lattice parameters and bulk modulus of these hydrides are in good agreement with the available experimental results. A pressure-induced structural phase transition from cubic to hexagonal phase in SmH and SmH{sub 2} and hexagonal to cubic phase in SmH{sub 3} is predicted. A pressure-induced ferromagnetic to nonmagnetic phase transition is observed in SmH, SmH{sub 2} and SmH{sub 3} at the pressures of 104 GPa, 76 GPa and 81 GPa respectively. Ferromagnetism is quenched in mono, di and tri hydrides at high pressures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Perfect crystal propagator for physical optics simulations with Synchrotron Radiation Workshop

Until now, a treatment of dynamical diffraction from perfect crystals has been missing in the "Synchrotron Radiation Workshop" (SRW) wavefront propagation computer code despite the widespread use of crystals on X-ray synchrotron beamlines. Now a special propagator" module for calculating dynamical diffraction from a perfect crystal in the Bragg case has been written in C++, integrated into the SRW C/C++ library and made available for simulations using the Python interface of SRW. The propagator performs local processing of the frequency-domain electric field in the angular representation. A 2-D Fast Fourier Transform is used for changing the field representation from/to the coordinate representation before and after applying the crystal propagator. This ensures seamless integration of the new propagator with the existing functionalities of the SRW package, allows compatibility with existing propagators for other optical elements, and enables the simulation of complex beamlines transporting partially coherent X-rays. The code has been benchmarked by comparison with predictions made by plane-wave and spherical-wave dynamical diffraction theory. Test simulations for a selection of X-ray synchrotron beamlines are also shown.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

PyJMAK: An Open-Source Python Toolkit for Modeling Solid-State Metallurgical Phase Transformations

Accurate prediction of metallurgical phase transformations is an essential basis for autonomous optimization and rapid part qualification. Several methods can be used to estimate the evolution of phase fractions such as JMAK kinetics-based models, phase-field models, thermodynamic models, and data-driven machine learning models. Thermodynamic and phase-field-based methodologies solve multiphysics equations requiring numerous calibration parameters and significant computational resources. As a result, the computation domain is limited to a point or on order of micron-meters. The data-driven models rely on large datasets from experiments and simulations. While the JMAK model only provides information about phase fraction evolution, it can predict this evolution in near real-time using thermal history and thermodynamic data without restriction on the domain. JMAK models have been popularly used by researchers to model phase transformations occuring during additive manufacturing or over arbitrary temperature profiles. Commercial proprietary software such as Abaqus and Ansys or closed-source in-house implementations offer the ability to model JMAK based kinetics to predict phase transformation. However, these software packages are not open-source or freely available for use and development in conjunction with manufacturing machines, sensors, and machine learning algorithms. In addition, the use of the model is restricted by a license token. In contrast, given temperature profiles at multiple points in the domain, this Python-based PyJMAK model can compute phase evolution in parallel due to its stand-alone modular, voxel-based structure, and it can be executed on high-performance computing resources without any license restrictions.

Prabhune, Bhagya [Oak Ridge National Laboratory (O↗
NASA NTRS1998

Qualification of the Tropical Rainfall Measuring Mission Solar Array Deployment System

The Tropical Rainfall Measuring Mission (TRMM) solar arrays are placed into orbital configuration by a complex deployment system. Its two wings each comprise twin seven square solar panels located by a twelve foot articulated boom. The four spring-driven hinge lines per wing are rate-limited by viscous dampers. The wings are stowed against the spacecraft kinematically, and released by five pyrotechnically-actuated mechanisms. Since deployment failure would be catastrophic, a total of 17 deployment tests were completed to qualify the system for the worst cast launch environment. This successful testing culminated in the flawless deployment of the solar arrays on orbit, 15 minutes after launch in November 1997. The custom gravity negation system used to perform deployment testing is modular to allow its setup in several locations, including the launch site in Japan. Both platform and height can be varied, to meet the requirements of the test configuration and the test facility. Its air pad floatation system meets tight packaging requirements, allowing installation while stowed against the spacecraft without breaking any flight interfaces, and avoiding interference during motion. This system was designed concurrently with the deployment system, to facilitate its installation, to aid in the integration of the flight system to the spacecraft, while demonstrating deployment capabilities. Critical parameters for successful testing were alignment of deployment axes and tables to gravity, alignment of table seams to minimize discontinuities, and minimizing pressure drops in the air supply system. Orbital performance was similar to that predicted by ground testing.

Lawrence, Jon↗
NASA NTRS2015

Hybrid Propulsion In-Situ Resource Utilization Test Facility Results

Hybrid rockets present a promising alternative to conventional chemical propulsion systems for In-Situ Resource Utilization (ISRU) and in-space applications. While they have many benefits for these applications, there are still many small details that require research before they can be adopted into flight systems. A flexible test facility was developed at JPL to test operation of hybrid motors at small scale (5 cm outer diameter fuel grains) over a range of conditions. Specifically, this paper studies two of the major advantages: low temperature performance and throttling. Paraffin-based hybrid rockets are predicted to have good performance at low temperatures. This could significantly decrease the overall system mass by minimizing the thermal conditioning required for Mars or outer planet applications. Therefore, the coefficient of thermal expansion and glass transition of paraffin are discussed. Additionally, deep throttling has been considered for several applications. This was a natural starting point for hotfire testing using the hybrid propulsion ISRU test facility. Additionally, short length to diameter ratio (L/D) fuel grains are tested to determine if these systems can be packaged into geometrically constrained spaces.

Karp, Ashley Chandler↗
DOE OSTI2023

Machine Learning Surrogates of a Fuel Matrix Degradation Process Model for Performance Assessment of a Nuclear Waste Repository

Spent nuclear fuel repository simulations are currently not able to incorporate detailed fuel matrix degradation (FMD) process models due to their computational cost, especially when large numbers of waste packages breach. The current paper uses machine learning to develop artificial neural network and k-nearest neighbor regression surrogate models that approximate the detailed FMD process model while being computationally much faster to evaluate. Further, using fuel cask temperature, dose rate, and the environmental concentrations of CO 3 2- , O 2 , Fe 2+ , and H 2 as inputs, these surrogates show good agreement with the FMD process model predictions of the UO 2 degradation rate for conditions within the range of the training data. A demonstration in a full-scale shale repository reference case simulation shows that the incorporation of the surrogate models captures local and temporal environmental effects on fuel degradation rates while retaining good computational efficiency.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Adversarial Sampling-Based Motion Planning

In this report there are many scenarios in which a mobile agent may not want its path to be predictable. Examples include preserving privacy or confusing an adversary. However, this desire for deception can conflict with the need for a low path cost. Optimal plans such as those produced by RRT* may have low path cost, but their optimality makes them predictable. Similarly, a deceptive path that features numerous zig-zags may take too long to reach the goal. We address this trade-off by drawing inspiration from adversarial machine learning. We propose a new planning algorithm, which we title Adversarial RRT*. Adversarial RRT* attempts to deceive machine learning classifiers by incorporating a predicted measure of deception into the planner cost function. Adversarial RRT* considers both path cost and a measure of predicted deceptiveness in order to produce a trajectory with low path cost that still has deceptive properties. We demonstrate the performance of Adversarial RRT*, with two measures of deception, using a simulated Dubins vehicle. We show how Adversarial RRT* can decrease cumulative RNN accuracy across paths to 10%, compared to 46% cumulative accuracy on near-optimal RRT* paths, while keeping path length within 16% of optimal. We also present an example demonstration where the Adversarial RRT* planner attempts to safely deliver a high value package while an adversary observes the path and tries to intercept the package.

42 ENGINEERING↗
DOE OSTI2024

Modeling the Effects of Artificial Drainage on Agriculture-dominated Watersheds using a Fully Distributed Integrated Hydrology Model: Datasets, scripts, model files

This model-data archive supports the research paper that demonstrates the integration of agricultural drainage features—specifically, narrow engineered ditches and tile drains—into a fully distributed, basin-scale integrated surface-subsurface hydrology model (ISSHM), Amanzi-ATS. The model employs innovative computational meshes aligned with agricultural ditches and incorporates the physically based Hooghoudt's drainage equation to simulate tile drainage, offering a novel strategy that enhances the accuracy of hydrological simulations.The archived dataset includes input parameters, model configurations, and select simulation outputs for the Amanzi-ATS model that successfully captured the streamflow patterns in the Portage River Watershed as validated by USGS gauge readings. Jupyter notebook for the preparation of model inputs and post-processing of outputs are also included. The model's predictive performance achieved a normalized Kling-Gupta Efficiency (KGE) of 0.81, surpassing SWAT without the necessity for site-specific calibration.The Amanzi-ATS model presented in this modeL-data archive allows for numerical experiments to explore the shifts in the flow structure under different drainage scenarios. As a tool for advancing the understanding of distributed hydrological responses and nutrient cycling, this archived model provides valuable insights for researchers, modelers, and decision-makers involved in watershed management and environmental modeling.The Watershed Workflow package is implemented in Python3. The Jupyter notebooks can be executed through multiple open-source tools, for example, Anaconda Jupyter Lab, VS Studio Code, etc. Other data files include CSV and HDF5 files, which can be read through Python scripts. The input files for the ATS model, open-source integrated hydrology, and transport model, are in XML format and can be edited in any commonly used text editors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Evaluating Uncertainties in Marine Biogeochemical Models: Benchmarking Aerosol Precursors

The effort to accurately estimate global radiative forcing has long been hampered by a degree of uncertainty in the tropospheric aerosol contribution. Reducing uncertainty in natural aerosol processes, the baseline of the aerosol budget, thus becomes a fundamental task. The appropriate representation of aerosols in the marine boundary layer (MBL) is essential to reduce uncertainty and provide reliable information on offsets to global warming. We developed an International Ocean Model Benchmarking package to assess marine biogeochemical process representations in Earth System Models (ESMs), and the package was employed to evaluate surface ocean concentrations and the sea–air fluxes of dimethylsulfide (DMS). Model performances were scored based on how well they captured the distribution and variability contained in high-quality observational datasets. Results show that model-data biases increased as DMS enters the MBL, but unfortunately over three-quarters of the models participating in the fifth Coupled Model Intercomparison Project (CMIP5) did not have a dynamic representation of DMS. When it is present, models tend to over-predict sea surface concentrations in the productive region of the eastern tropical Pacific by almost a factor of two, and the sea–air fluxes by a factor of three. Systematic model-data benchmarking as described here will help to identify such deficiencies and subsequently lead to improved subgrid-scale parameterizations and ESM development.

58 GEOSCIENCES↗
DOE OSTI2024

SCALE inventory and reactivity analysis as part of the Hermes 2021 PSAR review

The readiness of SCALE for comprehensive studies of pebble-bed reactors has been demonstrated through detailed analysis of a fluoride salt–cooled, high-temperature pebble-bed reactor (PB-FHR). The methods developed for pebble-bed reactor modeling in SCALE, particularly for inventory generation, have proven effective in gaining insights into the reactor physics of this advanced reactor. Excellent agreement with another code package has been observed, further highlighting SCALE’s strong performance. The SCALE results supported the US Nuclear Regulatory Commission’s construction permit application review of the Hermes low-power PB-FHR demonstration reactor. A SCALE model of the Hermes reactor was developed at Oak Ridge National Laboratory using information from the Preliminary Safety Analysis Report (PSAR) and supplemented with publicly available data. SCALE reactivity coefficient simulations reproduced PSAR results within 1σ statistical uncertainties. Sensitivity studies emphasized the importance of graphite specifications for accurate keff predictions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Mesh-based multiphysics coupling acceleration for fusion neutronics through clustering for fusion blanket applications

Accurate modeling of particle transport within fusion blankets is essential for predicting performance metrics such as heat deposition and the tritium breeding ratio (TBR). However, high-fidelity coupling of thermal fluids from computational fluid dynamics (CFD) to neutronics simulations often incurs significant computational costs due to the complexity of surface intersection calculations in Monte Carlo codes. This paper presents an accelerated multiphysics coupling method for neutronics that utilizes hierarchical agglomerative clustering to map complex material property distributions to a neutronics model. Implemented within the fusion reactor design and assessment (FREDA) framework, the method leverages existing Python packages to automate the creation of clustered geometries for OpenMC. The approach is demonstrated on a sector model of an ARC-class tokamak with an immersion molten salt blanket, and an simple geometry with varying isotopic concentrations. Results show that the clustering method significantly reduces computational burden without compromising fidelity, providing a foundation for agile iteration of neutronics simulations involving multiple coupled material properties.

Bae, Jin Whan [ORNL] (ORCID:0000000326548907)↗
DOE OSTI2017

xSDK Foundations: Toward an Extreme-scale Scientific Software Development Kit

Here, extreme-scale computational science increasingly demands multiscale and multiphysics formulations. Combining software developed by independent groups is imperative: no single team has resources for all predictive science and decision support capabilities. Scientific libraries provide high-quality, reusable software components for constructing applications with improved robustness and portability. However, without coordination, many libraries cannot be easily composed. Namespace collisions, inconsistent arguments, lack of third-party software versioning, and additional difficulties make composition costly. The Extreme-scale Scientific Software Development Kit (xSDK) defines community policies to improve code quality and compatibility across independently developed packages (hypre, PETSc, SuperLU, Trilinos, and Alquimia) and provides a foundation for addressing broader issues in software interoperability, performance portability, and sustainability. The xSDK provides turnkey installation of member software and seamless combination of aggregate capabilities, and it marks first steps toward extreme-scale scientific software ecosystems from which future applications can be composed rapidly with assured quality and scalability.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2006

Spatial Resolution Characterization for Aerial Digital Imagery

The U.S. Geological Survey (USGS) and the National Aeronautics and Space Administration have jointly conducted characterizations of aerial digital imagery from commercial data providers. In a typical scenario, a vendor acquired imagery over the Stennis Space Center test range and provided a common data package to SSC. SSC personnel analyzed the geopositional accuracy and spatial resolution of the images, then documented the characterization results in a report and delivered the report to the USGS. Spatial resolution characterization was based on edge response measurements using one of the SSC edge targets and the tilted-edge technique. Relative Edge Response (RER) has been estimated for aerial digital imagery from several commercial data providers. RER is one of the engineering parameters used in the General Image Quality Equation to provide predictions of imaging system performance expressed in terms of the National Imagery Interpretability Rating Scale.

Blonski, Slawomir↗
DOE OSTI2022

Phoebe: a high-performance framework for solving phonon and electron Boltzmann transport equations

Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors, and energy conversion devices. Computational modeling can accurately predict material properties but, in order to be reliable, requires accurate descriptions of electron and phonon states and their interactions. While first-principles methods are capable of describing the energy spectrum of each carrier, using them to compute transport properties is still a formidable task, both computationally demanding and memory intensive, requiring integration of fine microscopic scattering details for estimation of macroscopic transport properties. To address this challenge, we present Phoebe—a newly developed software package that includes the effects of electron–phonon, phonon–phonon, boundary, and isotope scattering in computations of electrical and thermal transport properties of materials with a variety of available methods and approximations. This open source C++ code combines MPI-OpenMP hybrid parallelization with GPU acceleration and distributed memory structures to manage computational cost, allowing Phoebe to effectively take advantage of contemporary computing infrastructures. We demonstrate that Phoebe accurately and efficiently predicts a wide range of transport properties, opening avenues for accelerated computational analysis of complex crystals.

36 MATERIALS SCIENCE↗