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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Dynamic modeling and simulation of pressure swing adsorption processes using toPSAil

Pressure swing adsorption (PSA) has attracted significant recent interest for chemical process intensification due to its potential for high energy efficiency and amenability to small, modular designs. However, the lack of simulation tools that are readily available, transparent, and trusted, has been identified as a serious impediment to widespread adoption of PSA, as well as to further research on PSA modeling, numerical solution, optimization, and control. This paper presents a complete framework for dynamic modeling and simulation of PSA processes and its implementation in an open-source simulator called toPSAil. Further, the presentation is tutorial and includes many modeling and implementation details often overlooked in existing literature. Novel methods are presented for handling flow reversals and implementing various pressure–flow relationships, along with controlled boundary conditions. Finally, the code contains several innovations designed to improve efficiency and reduce the extensive trial-and-error tuning often required to produce a working PSA cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Recent Advancements in the PATO Material Response Code

Introduction: Predicting the complicated multiphysics phenomena during atmospheric entry requires high-fidelity modeling tools to refine estimates of mission risks during entry. To this end, new capabilities are being added to the Porous-material Analysis Toolbox based on OpenFOAM (PATO). PATO is an open-source software for Computational Material Response (CMR) of reactive porous materials submitted to high-temperature environments. The objective of this work is to highlight current efforts to add to and improve upon the modeling capabilities of PATO. These include efforts to loosely couple PATO with other discipline specialized codes including hypersonic Computational Fluid Dynamics (CFD), to assess the interaction effects between pyrolysis gas blowing and the boundary layer, and Computational Solid Mechanics (CSM), to address modeling of mechanical erosion. Other refinements include surface phenomena modeling capabilities to address the effects of silicone-based coatings applied to the TPS during flight preparation, and a unified multiphase solver for a mixed porous-material and plain-fluid domain. Coupling CMR with CFD (CMR/CFD): A loose coupling between PATO and the Data Parallel Line Relaxation (DPLR) CFD code has been achieved by making use of a blowing boundary condition at the heatshield surface available in DPLR. Starting with heat flux estimates with no pyrolysis gas blowing at the surface, blowing gases are computed by the CMR and passed to the CFD such that aerothermal properties of the environment can be recomputed for a new CMR computation. This leads to an iterative process which is supplemented with an estimate of the radiative heat flux using the Nonequilibrium air radiation (NEQAIR) program. The entire iterative process is illustrated in Figure 1. This coupling strategy has been utilized in computing the MSL material response. The goal is to compare the coupled CMR/CFD results with material response results obtained using traditional blowing corrections. Coupling CMS with CMR: A mechanical erosion model is currently being implemented in PATO to account for the additional mass removal induced by high shear conditions. The modeling process at each timestep consists of updating the mechanical properties as a function of temperature and computing the stress tensor and displacement fields of the material. Then, a failure criteria model determines the regions in which the stress exceeds the ultimate strength values resulting in mesh movement to account for mass removal. This model allows the material response simulation to compute the recession due to both oxidation and shear-induced erosion. The model is demonstrated by computing material response of sphere-cone arc jet samples. Surface Modeling Capabilities: NuSil, a silicone-based coating, was sprayed onto the MSL and Mars 2020 heatshields to mitigate shedding of phenolic dust. To better understand the effects of the NuSil coating on the material response, a novel model has been implemented in PATO. In this model, the equilibrium of the charred NuSil surface is modeled as pure silica, and a constant offset, inspired by the classical spallation model, is added to the the char blowing rate and wall enthalpy to reproduce HyMETS experimental results. The model has also been used to estimate the 3D material response of the MSL heatshield. Unified Solver: In addition to the iterative loose coupling approach mentioned above, a multiphase unified solver is being developed to couple the environment (plain-fluid phase) and the porous-material phase. The solver is based on the volume averaged conservation of mass, momentum, and energy for the macroscale with closure models which include microscale effects through effective physicochemical properties. The unified solver has been used to compute flow through a porous plug and solve the Beavers and Joseph problem. Since the strong coupling between phases is inherent to this solver, modeling assumptions present in other coupling methods of material response are mitigated. This strategy also makes it feasible to capture the competition between surface and volume ablation in the same computational domain, which is usually not possible with other coupling approaches.

Material Response↗
NASA NTRS2016

ROS Hexapod

As an intern project for NASA Johnson Space Center (JSC), my job was to familiarize myself and operate a Robotics Operating System (ROS). The project outcome will convert existing software assets into ROS using nodes, enabling a robotic Hexapod to communicate and to be functional and controlled by an existing PlayStation 3 (PS3) controller. Existing control algorithms and current libraries have no ROS capabilities within the Hexapod C++ source code. Conversion of C++ codes to ROS will enable existing code to be compatible with ROS, and will be controlled using existing PS3 controller. Furthermore, my job description is to design ROS messages and script programs which will enable assets to participate in the ROS ecosystem. In addition, an open source software (IDE) Arduino board will be integrated in the ecosystem with designing circuitry on a breadboard to add additional behavior with push buttons, potentiometers and other simple elements in the electrical circuitry. Other projects with the Arduino will be a GPS module digital clock that will run off 22 satellites to show accurate real time using a GPS signal and internal patch antenna to communicate with satellites.

Davis, Kirsch↗
DOE OSTI2023

DeePKS-kit: A package for developing machine learning-based chemically accurate energy and density functional models

We introduce DeePKS-kit, an open-source software package for developing machine learning based energy and density functional models. DeePKS-kit is interfaced with PyTorch, an open-source machine learning library, and PySCF, an ab initio computational chemistry program that provides simple and customized tools for developing quantum chemistry codes. It supports the DeePHF and DeePKS methods. In addition to explaining the details in the methodology and the software, we also provide an example of developing a chemically accurate model for water clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

General Mission Analysis Tool (GMAT): Mission, Vision, and Business Case

The Goal of the GMAT project is to develop new space trajectory optimization and mission design technology by working inclusively with ordinary people, universities businesses and other government organizations; and to share that technology in an open and unhindered way. GMAT's a free and open source software system; free for anyone to use in development of new mission concepts or to improve current missions, freely available in source code form for enhancement or future technology development.

Hughes, Steven P.↗
NASA NTRSDate not supplied

Recent Advancements in the PATO Material Response Code

Introduction: Predicting the complicated multiphysics phenomena during atmospheric entry requires high-fidelity modeling tools to refine estimates of mission risks during entry. To this end, new capabilities are being added to the Porous-material Analysis Toolbox based on OpenFOAM (PATO) [1,2,3]. PATO is an open-source software for Computational Material Response (CMR) of reactive porous materials submitted to high-temperature environments. The objective of this work is to highlight current efforts to add to and improve upon the modeling capabilities of PATO. These include efforts to loosely couple PATO with other discipline specialized codes including hypersonic Computational Fluid Dynamics (CFD), to assess the interaction effects between pyrolysis gas blowing and the boundary layer, and Computational Solid Mechanics (CSM), to address modeling of mechanical erosion. Other refinements include surface phenomena modeling capabilities to address the effects of silicone-based coatings applied to the TPS during flight preparation, and a unified multiphase solver for a mixed porous-material and plain-fluid domain. Coupling CMR with CFD (CMR/CFD): A loose coupling between PATO and the Data Parallel Line Relaxation (DPLR) [4] CFD code has been achieved by making use of a blowing boundary condition at the heatshield surface available in DPLR. Starting with heat flux estimates with no pyrolysis gas blowing at the surface, blowing gases are computed by the CMR and passed to the CFD such that aerothermal properties of the environment can be recomputed for a new CMR computation. This leads to an iterative process which is supplemented with an estimate of the radiative heat flux using the Nonequilibrium air radiation (NEQAIR) [5] program. The entire iterative process is illustrated in Figure 1. This coupling strategy has been utilized in computing the MSL material response. The goal is to compare the coupled CMR/CFD results with material response results obtained using traditional blowing corrections. Coupling CMS with CMR: A mechanical erosion model is currently being implemented in PATO to account for the additional mass removal induced by high shear conditions. The modeling process at each timestep consists of updating the mechanical properties as a function of temperature and computing the stress tensor and displacement fields of the material. Then, a failure criteria model determines the regions in which the stress exceeds the ultimate strength values resulting in mesh movement to account for mass removal. This model allows the material response simulation to compute the recession due to both oxidation and shear-induced erosion. The model is demonstrated by computing material response of sphere-cone arc jet samples. Surface Modeling Capabilities: NuSil, a silicone-based coating, was sprayed onto the MSL and Mars 2020 heatshields to mitigate shedding of phenolic dust. To better understand the effects of the NuSil coating on the material response, a novel model has been implemented in PATO. In this model, the equilibrium of the charred NuSil surface is modeled as pure silica, and a constant offset, inspired by the classical spallation model, is added to the the char blowing rate and wall enthalpy to reproduce HyMETS experimental results. The model has also been used to estimate the 3D material response of the MSL heatshield [6]. Unified Solver: In addition to the iterative loose coupling approach mentioned above, a multiphase unified solver is being developed to couple the environment (plain-fluid phase) and the porous-material phase. The solver is based on the volume averaged conservation of mass, momentum, and energy for the macroscale with closure models which include microscale effects through effective physicochemical properties. The unified solver has been used to compute flow through a porous plug and solve the Beavers and Joseph problem [7]. Since the strong coupling between phases is inherent to this solver, modeling assumptions present in other coupling methods of material response are mitigated. This strategy also makes it feasible to capture the competition between surface and volume ablation in the same computational domain, which is usually not possible with other coupling approaches.

Thermal Protection Systems↗
NASA NTRS2014

Integrated System Modeling for Nuclear Thermal Propulsion (NTP)

Nuclear thermal propulsion (NTP) has long been identified as a key enabling technology for space exploration beyond LEO. From Wernher Von Braun's early concepts for crewed missions to the Moon and Mars to the current Mars Design Reference Architecture (DRA) 5.0 and recent lunar and asteroid mission studies, the high thrust and specific impulse of NTP opens up possibilities such as reusability that are just not feasible with competing approaches. Although NTP technology was proven in the Rover / NERVA projects in the early days of the space program, an integrated spacecraft using NTP has never been developed. Such a spacecraft presents a challenging multidisciplinary systems integration problem. The disciplines that must come together include not only nuclear propulsion and power, but also thermal management, power, structures, orbital dynamics, etc. Some of this integration logic was incorporated into a vehicle sizing code developed at NASA's Glenn Research Center (GRC) in the early 1990s called MOMMA, and later into an Excel-based tool called SIZER. Recently, a team at GRC has developed an open source framework for solving Multidisciplinary Design, Analysis and Optimization (MDAO) problems called OpenMDAO. A modeling approach is presented that builds on previous work in NTP vehicle sizing and mission analysis by making use of the OpenMDAO framework to enable modular and reconfigurable representations of various NTP vehicle configurations and mission scenarios. This approach is currently applied to vehicle sizing, but is extensible to optimization of vehicle and mission designs. The key features of the code will be discussed and examples of NTP transfer vehicles and candidate missions will be presented.

Systems Engineering↗
DOE OSTI2022

MOOSE Reactor Module Meshing Enhancements to Support Reactor Physics Analysis

The U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) program develops an integrated suite of advanced reactor physics tools built upon the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. Each code generally requires an input finite element mesh on which the physics solution is calculated, reported, and transferred to other physics codes. The meshing process is often burdensome for the complex geometries present in reactors due to lack of easy-to-use, open-source meshing tools. To address the bottleneck associated with meshing complex geometries found in nuclear reactors, NEAMS initiated the development of the MOOSE Reactor Module starting in FY21. The Reactor Module builds off the existing MOOSE Mesh System to include targeted meshing capabilities such as the ability to generate hexagonal pin cells, assemblies with ducts, rotating control drums, cores, peripheral zones around a core, as well as the automatic labeling (“reporting IDs”) of pin, assembly, and planar zones to simplify post-processing of results. As a Physics Module in MOOSE, the Reactor Module is open-source, available with any MOOSE installation, directly compatible with MOOSE-based tools, and can be invoked from MOOSEbased applications to generate meshes. Functionality from the Reactor Module has been applied to several advanced reactor concepts to demonstrate user workflow improvements and accuracy. The primary objective of the Reactor Module is to improve useability of MOOSEbased tools by streamlining mesh generation and output inspection processes. During FY22, the functionality of the Reactor Module (and accompanying Mesh System) has been expanded based on user needs. First, the Reactor Geometry Mesh Builder capability developed primarily in FY21 has been refactored and merged to the public MOOSE repository. This capability wraps underlying Reactor Module mesh generators into a “Pin – Assembly – Core” workflow appropriate for conventional Cartesian and hexagonal geometries, and notably assigns material IDs during mesh generation stage and generates only the minimal number of blocks needed in order to reduce computational burden. Biasing and boundary layer options have been added to the base mesh generators as required by thermal hydraulics solvers. The reporting ID functionality has been expanded to differentiate ring-wise and azimuthal sectors within a pin for use with depletion algorithms, and VectorPostProcessor and Reporter objects are now available to integrate solution variables across zones based on ID combinations. Functionality to trim hexagonal meshes along the center or periphery has been developed so users may leverage symmetry and reflective boundary conditions to reduce the mesh size. A flexible and powerful tool to fill the space between two sidesets has been introduced to the framework and can be used for transition layers such as stitching two assemblies together with different numbers of pins, or for complex geometries which do not follow conventional Cartesian/hexagonal patterns. Finally, additional verification problems were performed with NEAMS physics tools in complement with existing NEAMS work.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2019

Command and Control System Software Development

With the first launch of the National Aeronautics and Space Administration's Space Launch System heavy-lift expendable launch vehicle and Lockheed Martin's Orion Multi-Purpose Crew Vehicle scheduled for the year 2020, there exists a need to complete development of a new command and control system that will provide systems monitoring and launch control for NASA's Exploration Missions. One remaining task necessary for completion of this command and control system is to create and maintain comprehensive unit tests of the control system software packages. These tests should verify that the implementation of all required and desired functionality works as intended. This testing infrastructure is mostly in place, but the control system's open source automation server still reports software "bugs" (possible flaws or failures which may lead to unintended behavior) and intermittently failing unit tests. Since code correctness is of critical importance for human rated software systems, I was assigned to diagnose the root cause of failing unit tests, eliminate non-determinism in these tests, and fix bugs as reported by the automation server.

GUI↗
DOE OSTI2022

2.1.1.1.401 - Wave Energy Converter Modeling

The Wave Energy Converter (WEC) Modeling Project began in 2013 with the aim of driving innovation and advancing the state of the wave energy industry by developing publicly available, easy to use software that's customizable to meet end user needs. This project is primarily focused on development of open source software for numerical design and analysis of wave energy converters (WEC), and it also supports international collaboration on standards (IEC TC 114), code verification and validation (IEA OES Task 10) and a competition (WECCCOMP).

MATHEMATICS AND COMPUTING,TIDAL AND WAVE POWER↗
DOE OSTI2021

RAVIS: Resource Forecast and Ramp Visualization for Situational Awareness of Variable Renewable Generation

The Resource Forecast and Ramp Visualization for Situational Awareness (RAVIS) is an innovative, open-source tool for visualizing variable renewable resource forecasts and alerts for significant up- and down-ramps in renewable generation and the consequent system net load. The modular dashboard of RAVIS contains configurable panes for viewing probabilistic time-series forecasts, ramp event alerts on the look-ahead timeline, and spatially resolved resource sites, and forecasts. For comprehensive situational awareness, the tool can add additional data layers from simulation and independent system operator (ISO) market clearing data---including electric line utilization, nodal price, and available generation flexibility---in response to continuously updated renewable forecasts. This paper introduces the RAVIS technology suite employed to provide optimum visualization and flexible design characteristics. The paper also illustrates some use cases of the tool using site-specific solar power forecast data obtained from the IBM Watt-Sun forecasting platform for the California ISO and Midcontinent ISO footprints. The source code for RAVIS is public (https://github.com/ravis-nrel/ravis), and the intended users are forecasters, utility planners, ISO operators, and researchers.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2024

SIMULATeQCD: A simple multi-GPU lattice code for QCD calculations

The rise of exascale supercomputers has fueled competition among GPU vendors, driving lattice QCD developers to write code that supports multiple APIs. Moreover, new developments in algorithms and physics research require frequent updates to existing software. These challenges have to be balanced against constantly changing personnel. At the same time, there is a wide range of applications for HISQ fermions in QCD studies. This situation encourages the development of software featuring a HISQ action that is flexible, high-performing, open source, easy to use, and easy to adapt. In this technical paper, we explain the design strategy, provide implementation details, list available algorithms and modules, and show key performance indicators for SIMULATeQCD, a simple multi-GPU lattice code for large-scale QCD calculations, mainly developed and used by the HotQCD collaboration. The code is publicly available on GitHub.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Python Library For Reading Endf Files

Evaluated Nuclear Data Files (ENDFs) are the most common way to store nuclear data. However, they are a hard-to-read format that few people or programs can read. OpenMC, an open source project, developed a way to read Evaluated Nuclear Data Files (ENDF) into a useful form for python. This library will remove all unnecessary code from OpenMC to focus solely on reading nuclear data. In addition, it will handle parsing Grouped cross-section data from an ENDF file, which OpenMC does not currently handle.

Gale, MicahD.↗
DOE OSTI2020

Accelerate M-TIP on GPUs and deploy to Summit and NERSC-9 (against simulated data) WBS 2.2.4.05 ExaFEL, Milestone ADSE13-199

We evaluated the orientation matching step in the M-TIP SPI workflow for potential offloading to accelerators. We ported the code to GPUs, benchmarked it, optimized and down-selected the best versions. The accelerated version of the orientation matching code that was developed at LANL (LANL GPU v3) is 34-55X faster than sequential, 2.4-4.9X faster than the fastest OpenMP open source version we found (FAISS OpenMP) and 1.5-4X faster than the fastest GPU open source version we found (FAISS GPU). Summit single-node GPU versions were somewhat faster than Cori GPU. Image size plays a role; mid-range image sizes take more time. The LANL CUDA multi-node, multi-GPU implementation shows mostly linear strong scaling. I/O also plays a large role; splitting data into parts improves read time and burst buffers dramatically improve read times. This work will be integrated into the M-TIP workflow as part of the next milestone ADSE13-193.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Data for "Verification of the kinetic electron role in the microinstabilities in a negative triangularity model equilibrium"

This contains the dataset used in "Verification of the kinetic electron role in the microinstabilities in a negative triangularity model equilibrium" published in Physics of Plasmas in Oct 2024. It consists of plaintext files as well as .bp files (which may be read by ADIOS open-source software) used for creating the plots that appear in the paper. These are derived from simulation outputs from XGC (X-point Gyrokinetic Code). The data mainly consists of growth rate and frequency measurements as well as poloidal cross-section data.

gyrokinetic↗
NASA NTRS1989

A review of high-speed, convective, heat-transfer computation methods

The objective of this report is to provide useful engineering formulations and to instill a modest degree of physical understanding of the phenomena governing convective aerodynamic heating at high flight speeds. Some physical insight is not only essential to the application of the information presented here, but also to the effective use of computer codes which may be available to the reader. A discussion is given of cold-wall, laminar boundary layer heating. A brief presentation of the complex boundary layer transition phenomenon follows. Next, cold-wall turbulent boundary layer heating is discussed. This topic is followed by a brief coverage of separated flow-region and shock-interaction heating. A review of heat protection methods follows, including the influence of mass addition on laminar and turbulent boundary layers. Also discussed are a discussion of finite-difference computer codes and a comparison of some results from these codes. An extensive list of references is also provided from sources such as the various AIAA journals and NASA reports which are available in the open literature.

Tauber, Michael E.↗
NASA NTRS1989

A review of high-speed, convective, heat-transfer computation methods

The objective is to provide useful engineering formulations and to instill a modest degree of physical understanding of the phenomena governing convective aerodynamic heating at high flight speeds. Some physical insight is not only essential to the application of the information presented here, but also to the effective use of computer codes which may be available to the reader. Given first is a discussion of cold-wall, laminar boundary layer heating. A brief presentation of the complex boundary layer transition phenomenon follows. Next, cold-wall turbulent boundary layer heating is discussed. This topic is followed by a brief coverage of separated flow-region and shock-interaction heating. A review of heat protection methods follows, including the influence of mass addition on laminar and turbulent boundary layers. Next is a discussion of finite-difference computer codes and a comparison of some results from these codes. An extensive list of references is also provided from sources such as the various AIAA journals and NASA reports which are available in the open literature.

Tauber, Michael E.↗
NASA NTRS2001

HITEMP Material and Structural Optimization Technology Transfer

The feasibility of adding viscoelasticity and the Generalized Method of Cells (GMC) for micromechanical viscoelastic behavior into the commercial HyperSizer structural analysis and optimization code was investigated. The viscoelasticity methodology was developed in four steps. First, a simplified algorithm was devised to test the iterative time stepping method for simple one-dimensional multiple ply structures. Second, GMC code was made into a callable subroutine and incorporated into the one-dimensional code to test the accuracy and usability of the code. Third, the viscoelastic time-stepping and iterative scheme was incorporated into HyperSizer for homogeneous, isotropic viscoelastic materials. Finally, the GMC was included in a version of HyperSizer. MS Windows executable files implementing each of these steps is delivered with this report, as well as source code. The findings of this research are that both viscoelasticity and GMC are feasible and valuable additions to HyperSizer and that the door is open for more advanced nonlinear capability, such as viscoplasticity.

Collier, Craig S.↗