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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Ultracold neutron storage simulation using the Kassiopeia software package

The Kassiopeia software package was originally developed to simulate electromagnetic fields and charged particle trajectories for neutrino mass measurement experiments. Recent additions to Kassiopeia also allow it to simulate neutral particle trajectories in magnetic fields based on their magnetic moments. Two different methods were implemented: an exact method that can work for arbitrary fields and an adiabatic method that is limited to slowly-varying fields but is much faster for large precession frequencies. Additional interactions to simulate reflection of ultracold neutrons (UCNs) from material walls and to allow spin–flip pulses were also added. These tools were used to simulate neutron precession in a room temperature neutron electric dipole moment experiment and predict the values of the longitudinal and transverse relaxation times as well as the trapping lifetime. All three parameters are found to closely match the experimentally determined values when simulated with both the exact and adiabatic methods, confirming that Kassiopeia is able to accurately simulate neutral particles. This opens the door for future uses of Kassiopeia to prototype the next generation of atomic traps and UCN experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1992

An approach to integrating and creating flexible software environments

Engineers and scientists are attempting to represent, analyze, and reason about increasingly complex systems. Many researchers have been developing new ways of creating increasingly open environments. In this research on VEHICLES, a conceptual design environment for space systems, an approach was developed, called 'wrapping', to flexibility and integration based on the collection and then processing of explicit qualitative descriptions of all the software resources in the environment. Currently, a simulation is available, VSIM, used to study both the types of wrapping descriptions and the processes necessary to use the metaknowledge to combine, select, adapt, and explain some of the software resources used in VEHICLES. What was learned about the types of knowledge necessary for the wrapping approach is described along with the implications of wrapping for several key software engineering issues.

Bellman, Kirstie L.↗
NASA NTRSDate not supplied

Open Science Practices at the Community Coordinated Modeling Center

Open Science is defined as “the principle and practice of making research products and processes available to all, while respecting diverse cultures, maintaining security and privacy, and fostering collaborations, reproducibility, and equity” by Federal Agencies. The CCMC has been practicing open science based on FAIR (Findable, Accessible, Interoperable and Reusable) principle by providing access to the state-of -the art space science and space weather models to users around the world through various simulation services such as Runs-on-Request, Instant Runs, Real time runs on iSWA system. The CCMC also provides a wide range of tools and framework to help users easily utilize modeled data. One of the tools is the official NASA open-sourced software called Kamodo. Kamodo allows users to work with complex space weather models and data with little or no coding experience. Additionally, to support transparent model validation efforts, the CCMC is providing an integrated and flexible framework called CAMEL. CAMEL allows users to seamlessly compare model outputs with observational data sets. Currently, we are working on a user-friendly database of the papers and research that used CCMC services, so that the future users will have open access to previously performed research by other users and its details. In this presentation, we will show the open tools and resources provided by the CCMC. Furthermore, we will share our new efforts to support open data and open science results.

Ja Soon Shim↗
DOE OSTI2022

SimELIT: A Novel GUI-Based Comprehensive Ion Trajectory Simulation Software for Mass Spectrometry

Ion trajectory simulation in mass spectrometry systems from injection to detection is technically challenging but very important for better understanding the ion dynamics in instrument development. Here, in this work, we present SimELIT (Simulator of Eulerian and Lagrangian Ion Trajectories), a novel ion trajectory simulation platform. SimELIT is built upon a suite of multiphysics solvers compiled into OpenFOAM (an open-source numerical solver library particularly used for computational mechanics), with a simple web-based graphical user interface (GUI) allowing users to define the details of OpenFOAM cases and run simulations. SimELIT is a modular program and can provide extensions of physics (e.g., gas flows, electrodynamic fields) and thus enable ion trajectory simulations from the ion source to detector. The current version (SimELIT) provides two numerical solvers for ion trajectory simulations–(1) a Lagrangian particle tracker in vacuum and (2) a Eulerian ion density solver in background gas in the presence of electric fields. Here, we describe the architecture of SimELIT, including its use of Docker and the React Framework, and demonstrate the computation of ion trajectories of multiple m/z values in a static/linear voltage drop in vacuum (across a 1 m long flight tube). Further, the drift motion of ions under 1 Torr pressure conditions in a static background (N 2 ) gas through a 20 V/cm static electric field is shown. The results produced from SimELIT were compared with SIMION and theoretical estimates. In addition, we report the computation of ion trajectories in electrodynamic fields within a planar FAIMS device operating at atmospheric pressure.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

The SODA Approach: Leveraging High-Level Synthesis for Hardware/Software Co-design and Hardware Specialization: Invited

Novel "converged" applications combine phases of scientific simulation with data analysis and machine learning. Each computational phase can benefit from specialized accelerators. However, algorithms evolve so quickly that mapping them on existing accelerators is suboptimal or even impossible. This paper presents the SODA (Software Defined Accelerators) framework, a modular, multi-level, open-source, no-human-in-the-loop, hardware synthesizer that enables end-to-end generation of specialized accelerators. SODA is composed of SODA-Opt, a high-level frontend developed in MLIR that interfaces with domain-specific programming frameworks and allows performing system level design, and Bambu, a state-of-the-art high-level synthesis engine that can target different device technologies. The framework implements design space exploration as compiler optimization passes. We show how the modular, yet tight, integration of the high-level optimizer and lower-level HLS tools enables the generation of accelerators optimized for the computational patterns of converged applications. We then discuss some of the research opportunities that such a framework allows, including system-level design, profile driven optimization, and supporting new optimization metrics.

Bohm Agostini, Nicolas↗
DOE OSTI2025

Files and scripts to support manuscript Needham et al. Canopy Gradients of Respiration

This dataset includes the parameter files, relevant output files, and scripts to perform analysis with Jupyter notebooks that support the manuscript Needham et al 2025 “Canopy Gradients of Respiration Drive Plant Carbon Budgets and Leaf Area Index.” We add functionality to the Functionally Assembled Terrestrial Ecosystem Simulator (FATES) to allow flexible vertical gradients of leaf maintenance respiration (Rdark) and maximum carboxylation rate (Vcmax) through the canopy. We test the sensitivity of FATES to canopy gradients in Rdark, both in global simulations to assess broad scale impacts on leaf area index (LAI) and vegetation carbon, and in single site simulations where we assess impacts on plant functional type (PFT) competitive dynamics. Parameter files are netcdf files that can be converted to human readable .cdl files using NCO tools. Analysis scripts are Jupyter notebook files. These can be opened and run using the open source Jupyter notebook software. Model outputs are netcdf files.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2013

Robotics On-Board Trainer (ROBoT)

ROBoT is an on-orbit version of the ground-based Dynamics Skills Trainer (DST) that astronauts use for training on a frequent basis. This software consists of two primary software groups. The first series of components is responsible for displaying the graphical scenes. The remaining components are responsible for simulating the Mobile Servicing System (MSS), the Japanese Experiment Module Remote Manipulator System (JEMRMS), and the H-II Transfer Vehicle (HTV) Free Flyer Robotics Operations. The MSS simulation software includes: Robotic Workstation (RWS) simulation, a simulation of the Space Station Remote Manipulator System (SSRMS), a simulation of the ISS Command and Control System (CCS), and a portion of the Portable Computer System (PCS) software necessary for MSS operations. These components all run under the CentOS4.5 Linux operating system. The JEMRMS simulation software includes real-time, HIL, dynamics, manipulator multi-body dynamics, and a moving object contact model with Tricks discrete time scheduling. The JEMRMS DST will be used as a functional proficiency and skills trainer for flight crews. The HTV Free Flyer Robotics Operations simulation software adds a functional simulation of HTV vehicle controllers, sensors, and data to the MSS simulation software. These components are intended to support HTV ISS visiting vehicle analysis and training. The scene generation software will use DOUG (Dynamic On-orbit Ubiquitous Graphics) to render the graphical scenes. DOUG runs on a laptop running the CentOS4.5 Linux operating system. DOUG is an Open GL-based 3D computer graphics rendering package. It uses pre-built three-dimensional models of on-orbit ISS and space shuttle systems elements, and provides realtime views of various station and shuttle configurations.

Johnson, Genevieve↗
DOE OSTI2024

Making Uintah Performance Portable for Department of Energy Exascale Testbeds

To help ease ports to forthcoming Department of Energy (DOE) exascale systems, testbeds have been made available to select users. These testbeds are helpful for preparing codes to run on the same hardware and similar software as in their respective exascale systems. This paper describes how the Uintah Computational Framework, an open-source asynchronous many-task (AMT) runtime system, has been modified to be performance portable across the DOE Crusher, DOE Polaris, and DOE Sunspot testbeds in preparation for portable simulations across the exascale DOE Frontier and DOE Aurora systems. The Crusher, Polaris, and Sunspot testbeds feature the AMD MI250X, NVIDIA A100, and Intel PVC GPUs, respectively. This performance portability has been made possible by extending Uintah’s intermediate portability layer [18] to additionally support the Kokkos::HIP, Kokkos::OpenMPTarget, and Kokkos::SYCL back-ends. This paper also describes notable updates to Uintah’s support for Kokkos, which were required to make this extension possible. Results are shown for a challenging radiative heat transfer calculation, central to the University of Utah’s predictive boiler simulations. These results demonstrate single-source portability across AMD-, NVIDIA-, and Intel-based GPUs using various Kokkos back-ends.

Holmen, John↗
DOE OSTI2020

MASTODON: An Open-Source Software for Seismic Analysis and Risk Assessment of Critical Infrastructure

Seismic analysis and risk assessment of safety-critical infrastructure like hospitals, nuclear power plants, dams, and facilities handling radioactive materials involve computationally intensive numerical models and coupled multiphysics scenarios. They are also performed in a strict regulatory environment that requires high software quality assurance standards, and in the case of safety-related nuclear facilities, a conformance to the American Society of Mechanical Engineers Nuclear Quality Assurance (NQA-1) standard. This paper introduces the open-source finite-element software, MASTODON (Multi-hazard Analysis of Stochastic Time-Domain Phenomena), which implements state-of-the-art seismic analysis and risk assessment tools in a quality-controlled environment. MASTODON is built on MOOSE (Multi-physics Object-Oriented Simulation Environment), which is a highly parallelizable, NQA-1 conforming, coupled multiphysics, finite-element framework developed at Idaho National Laboratory. MASTODON is capable of fault rupture and source-to-site wave propagation using the domain reduction method, nonlinear site response, and soil-structure interaction analysis, implicit and explicit time integration, automated stochastic simulations, and seismic probabilistic risk assessment. When coupled with other MOOSE applications, MASTODON can also solve strongly and weakly coupled multiphysics problems. This paper presents a summary of the capabilities of MASTODON and some demonstrative examples.

42 ENGINEERING↗
DOE OSTI2020

IEEE 1547-2018 Based Interoperable PV Inverter with Advanced Grid-Support Functions

Grid integration of photovoltaic (PV) inverters has been increasing in the past decade. As a result of the uncertainties introduced with high penetrations of PV, better monitoring and control of the PV inverters becomes crucial for improving overall system stability. This paper focuses on the communications capability of the inverter controller and on enabling interoperability. Multiple standards are available to enable interoperability in PV inverters. In this paper, an interoperable controller, enabled by Distributed Network Protocol 3 (DNP3) communications protocols, is developed for a grid-connected, three-phase PV inverter. The DNP3 server for the PV inverter is programmed on the real-time layer of the field-programmable gate array (FPGA)-based inverter controller. Set points for advanced inverter control functions, such as volt/VAr curves, ride-through curves, are sent from a DNP3 client, a simulated distribution management system application, to the PV inverter through DNP3. This communications capability of the inverter controller is validated using a controller-hardware-in-the-loop experimental setup. The code developed to achieve the interoperability is available in the public domain through open-source software licensing. This interoperability will enable smoother grid integration of smart PV inverters with advanced grid-support functions as well as allow better monitoring and control of PV inverters for grid stability.

14 SOLAR ENERGY↗
DOE OSTI2023

ResStock™ v3.2.0 [SWR-19-15 and SWR-20-07]

The ResStock™ analysis tool was built on NREL's OpenStudio® platform, and is a project geared at modeling existing residential building stocks at national, regional, or local scales with a high-degree of granularity (e.g., one physics-based simulation model for every 200 dwelling units), using the EnergyPlus® simulation engine. Information about ComStock™, a sister tool for modeling the commercial building stock, can be found here: https://www.nrel.gov/buildings/comstock.html This repository contains: Housing characteristics of the U.S. residential building stock, in the form of conditional probability distributions stored as tab-separated value (.tsv) files. Comments at the bottom of each file document data sources and assumptions for each. A library of housing characteristic "options" that translate high-level characteristic parameters into arguments for OpenStudio measures, and which are referenced by the housing characteristic .tsv files and building energy upgrades defined in project definition files Project definition files: v2.3.0 and later: buildstockbatch YML files openable in any text editor v2.2.5 and prior: Project folder openable in PAT Unit-level OpenStudio Measures for automatically constructing OpenStudio Models of each representative dwelling unit model: v3.0.0 and later: OpenStudio-HPXML Measures v2.5.0 and prior: OpenStudio Measures Higher-level OpenStudio Measures for controlling simulation inputs and outputs This repository does not contain software for running ResStock simulations, which can be found as follows: Versions 2.3.0 and later only support the use of buildstockbatch for deploying simulations on high-performance or cloud computing. Version 2.3.0 also removed separate projects for single-family detached and multifamily buildings, in lieu of a combined project_national representing the U.S. residential building stock. See the changelog for more details. Versions 2.2.5 and prior support the use of the publicly available OpenStudio-PAT software as an interface for deploying simulations on cloud computing. Read the documentation for v2.2.5.

Horowitz, Scott↗
NASA NTRS2007

KLASS: Kennedy Launch Academy Simulation System

Software provides access to many sophisticated scientific instrumentation (Scanning Electron Microscope (SEM), a Light Microscope, a Scanning Probe Microscope (covering Scanning Tunneling, Atomic Force, and Magnetic Force microscopy), and an Energy Dispersive Spectrometer for the SEM). Flash animation videos explain how each of the instruments work. Videos on how they are used at NASA and the sample preparation. Measuring and labeling tools provided with each instrument. Hands on experience of controlling the virtual instrument to conduct investigations, much like the real scientists at NASA do. Very open architecture. Open source on SourceForge. Extensive use of XML Target audience is high school and entry-level college students. "Many beginning students never get closer to an electron microscope than the photos in their textbooks. But anyone can get a sense of what the instrument can do by downloading this simulator from NASA's Kennedy Space Center." Science Magazine, April 8th, 2005

Garner, Lesley C.↗
NASA NTRS2023

Acoustics of a Supersonic Mach 1.4 Axisymmetric Spike Inlet

An engine inlet for a supersonic commercial aircraft is analyzed for noise radiation in low-speed configurations for which auxiliary inlet doors are open. Duct modes generated by the fan are estimated by post-processing unsteady Reynold averaged Navier-Stokes (URANS) simulations of the fan and are used as boundary conditions to the inlet domain. Far-field inlet radiated tone levels are computed using commercial acoustics finite element software. The results indicated that the inlet tone levels at cutback and sideline conditions are higher by more than 20 dB than the approach levels.

Supersonics↗
NASA NTRS2023

CFD Modeling of Bi-Directional PMD inside Cryogenic Propellant Tanks Onboard Parabolic Flights

Future cryogenic propulsion systems will require efficient methods with which to transfer cryogenic propellants from a depot storage tank to a customer receiver tank to minimize cost and maximize reusability. The Reduced Gravity Cryogenic Transfer project is currently developing advanced cryogenic fluid management technology and developing and validating new numerical models for three phases of transfer: line chilldown, tank chilldown, and tank fill. Additionally, multiple liquid nitrogen (LN 2 ) parabolic flight transfer rigs are being designed by universities and NASA to investigate the gravitational sensitivities that exist in these three technologies. In order to maximize the collection of low-g data during flights, it is required to extract as much (LN 2 as possible from the supply tank, despite variable gravity levels. The purpose of this paper is to present computational fluid dynamics (CFD) volume of fluid simulations of (LN 2 behavior in the supply tank onboard parabolic flights to validate the optimal design of a bi-directional propellant management device (PMD) using the commercial software FLOW-3D. A parametric study is conducted on the effects of gravity level, fill level, pore size, open area, thickness, and type of baffle on PMD performance. Based on results, the PMD as designed exceeds the targeted expulsion efficiency.

Jason Hartwig↗
DOE OSTI2022

Implementation of real‐time TDDFT for periodic systems in the open‐source PySCF software package

Abstract We present a new implementation of real‐time time‐dependent density functional theory (RT‐TDDFT) for calculating excited‐state dynamics of periodic systems in the open‐source Python‐based PySCF software package. Our implementation uses Gaussian basis functions in a velocity gauge formalism and can be applied to periodic surfaces, condensed‐phase, and molecular systems. As representative benchmark applications, we present optical absorption calculations of various molecular and bulk systems and a real‐time simulation of field‐induced dynamics of a (ZnO) 4 molecular cluster on a periodic graphene sheet. We present representative calculations on optical response of solids to infinitesimal external fields as well as real‐time charge‐transfer dynamics induced by strong pulsed laser fields. Due to the widespread use of the Python language, our RT‐TDDFT implementation can be easily modified and provides a new capability in the PySCF code for real‐time excited‐state calculations of chemical and material systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

High-Accuracy Mesh-Free Quadrature for Trimmed Parametric Surfaces and Volumes

This work presents a high-accuracy, mesh-free, generalized Stokes theorem-based numerical quadrature scheme for integrating functions over trimmed parametric surfaces and volumes. The algorithm relies on two fundamental steps: (1) We iteratively reduce the dimensionality of integration using the generalized Stokes theorem to line integrals over trimming curves, and (2) we employ numerical antidifferentiation in the generalized Stokes theorem using high-order quadrature rules. Additionally, the scheme achieves exponential convergence up to trimming curve approximation error and has applications to computation of geometric moments, immersogeometric analysis, conservative field transfer between high-order curvilinear meshes, and initialization of multi-material simulations. We compare the quadrature scheme to commonly-used quadrature schemes in the literature and show that our scheme is much more efficient in terms of number of quadrature points used. We provide an open-source implementation of the scheme in MATLAB as part of QuaHOG, a software package for Quadrature of High-Order Geometries.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

SootLib: A soot model library for combustion simulation

Soot formation in combustion is an important process that affects radiative heat transfer, flame temperatures, and emissions with health and environmental impacts. Soot formation involves complex chemistry for nucleation, growth, oxidation, and coagulation processes. The soot particles vary widely in size and accurate modeling requires representation of the particle size distribution (PSD). Modeling soot is not trivial, and is only one of several physical processes active in combustion systems. This paper presents a software package called SootLib, which is an open-source library for modeling soot formation and other aerosol systems. SootLib is written in C++, is documented with Doxygen, and is available on GitHub. The library includes several models for soot chemistry and coagulation, and it represents the PSD using either a sectional model or the method of moments (MOM). Four closure approaches for the MOM are implemented allowing up to eight moments: monodispersed, an assumed-shape lognormal distribution, the quadrature method of moments, and the method of moments with interpolative closure. SootLib provides an interface for inclusion in other combustion packages including CFD or reacting flow solvers. The range of models allows comparisons and sensitivity studies, and the modularity facilitates extension to other soot models.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2013

Direct-to-Earth Communications with Mars Science Laboratory During Entry, Descent, and Landing

Mars Science Laboratory (MSL) undergoes extreme heating and acceleration during Entry, Descent, and Landing (EDL) on Mars. Unknown dynamics lead to large Doppler shifts, making communication challenging. During EDL, a special form of Multiple Frequency Shift Keying (MFSK) communication is used for Direct-To-Earth (DTE) communication. The X-band signal is received by the Deep Space Network (DSN) at the Canberra Deep Space Communication complex, then down-converted, digitized, and recorded by open-loop Radio Science Receivers (RSR), and decoded in real-time by the EDL Data Analysis (EDA) System. The EDA uses lock states with configurable Fast Fourier Transforms to acquire and track the signal. RSR configuration and channel allocation is shown. Testing prior to EDL is discussed including software simulations, test bed runs with MSL flight hardware, and the in-flight end-to-end test. EDA configuration parameters and signal dynamics during pre-entry, entry, and parachute deployment are analyzed. RSR and EDA performance during MSL EDL is evaluated, including performance using a single 70-meter DSN antenna and an array of two 34-meter DSN antennas as a back up to the 70-meter antenna.

Direct-to-Earth (DTE)↗