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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

Studying Performance Portability of LAMMPS across Diverse GPU-based Platforms

The molecular dynamics simulation software, LAMMPS, utilizes the Kokkos acceleration library to port computation to a diverse set of architectures including those based on GPU accelerators. In addition to Kokkos, LAMMPS contains a vast code base that leverages the CUDA application programming interface using library functions such as cuFFT, CUDA’s fast-fourier transform (FFT) library, and, more recently, also support for AMD’s Heterogeneous Interface for Portability (HIP) that is rapidly growing. While preparing LAMMPS tests for the AMD GPU-based test system precursors to Frontier, we investigated several strategies for accelerating LAMMPS on AMD GPUs, using the AMD Instinct MI100 and MI250X. In this work, we integrated the HIP FFT library, hipFFT, into the particle-particle particle-mesh (PPPM) long-range solver, which allowed the porting of PPPM calculations to the GPUs. Kokkos behavior on the MI100 and MI250X was also investigated through the package kokkos command of LAMMPS, targeting com- munication, memory usage, and particle grid decomposition. The Tersoff, Reax, Lennard-Jones (LJ), EAM, Granular, and PPPM potentials were investigated in this effort, and results from these experiments are provided. The selected potentials were run on Spock (AMD Instinct MI100), Crusher (AMD Instinct MI250X), AFW HPC11 (NVIDIA A100) and Summit (NVIDIA V100), for comparison. Operational roofline models were constructed and analyzed for the Tersoff, Reax, and Lennard-Jones potentials on Crusher and Summit.

Hagerty, Nick↗
DOE OSTI2023

ML-ACCEPT: Machine-Learning-enhanced Automated Circuit Configuration and Evaluation of Power Converters

This project, ML-ACCEPT, took a significant step toward achieving the first objective of the DIFFERENTIATE program: to help engineers to more rapidly and cost-effectively consider a wider range of more novel concepts before selecting an engineering-optimal architecture for high-fidelity detailed design and evaluation. Compared to existing methods, the ML-ACCEPT project investigated innovative technologies to make the design of power converters more cost-effective and time-efficient by i) integrating recent breakthroughs in ML, power electronics, simulation software, and optimization to research, develop, and developed a suite of ML-enhanced hypothesis generation tools for power converter design; and ii) facilitating the integration of the proposed software tools into existing power-converter design work-flows. Some existing tools for power-converter design have a certain level of intelligence to aid the design process, but to our knowledge none of them has ML-enhanced capability of automating the electrical circuit design process by selecting, configuring, and tailoring the individual components that enable available resources (e.g., high-voltage DC power) to be converted to the desired output (e.g., lower-voltage DC power with a desired voltage ripple), subject to application-specific (e.g., plasma generation and automotive applications) thermal and packaging considerations. The state-of-the-art circuit design of power converters is still heavily reliant on human experts to select the optimal topology and search for design parameters with human’s experience and intuitions, which can be very time-consuming, inefficient, and labor intensive. The team is composed of University of Michigan-Dearborn (UM-Dearborn), Lawrence Livermore National Laboratory (LLNL), Oak Ridge National Laboratory (ORNL), Modelon Inc., and lighthouse customers.

42 ENGINEERING↗
DOE OSTI2023

A hybrid method to evaluate the life cycle climate performance of heat pumps

Heat pumps have a significant impact on the climate, and numerous studies exist discussing the environmental impact of heat pumps quantitatively. Life Cycle Climate Performance (LCCP) is a widely accepted metric and can evaluate the carbon footprint of heat pumps from cradle to grave. LCCP calculation typically requires inputs like annual energy consumption, the material used, refrigerant type, and charge level, which are usually the intermediate or final results from heat pump simulation tools. Thus, a platform linking the heat pump simulation software, local weather conditions, and LCCP evaluation tool can simplify the heat pump design process, especially for complicated systems. This paper presents an LCCP evaluation tool accessing the outputs from the DOE Heat Pump Design Model and the building loads and temperature bin data from AHRI standard 210/240. As for case studies, this paper investigates the LCCP values and life cycle electricity costs (LCEC) of a given cooling-based heat pump with R410A in five typical US cities. In conclusion, this cooling-based heat pump has the highest LCCP value at Chicago and lowest LCCP value at Seattle. In contrast, the heat pump has the highest LCEC at Seattle and the lowest LCEC at Miami. As a future work, a more comprehensive carbon emission and cost analysis of heat pump systems will be conducted through all major cities around the world.

Shen, Bo↗
DOE OSTI2023

Optimizing the tuning range of the Fermilab Recycler 53MHz RF cavities by exploiting the avoided crossing of the tuner and cavity modes

The electromagnetic eigenmodes of the Fermilab Recycler RF cavities were simulated with ACE3P running on NERSC's 'Perlmutter' supercomputer in an attempt to optimize their tuning range to comfortably support slip-stacking. A theory, based on coupled circuits and avoided crossings, was developed to explain the origins of the tuning range for tuner-cavity waveguide systems. This provided a logical, rigorous method to carry out this optimization, although engineering problems due to high voltages in the tuner and the operational $\mu$ range of the garnet had to be carefully implemented. It was shown that the desired goal of 10kHz of tuning was not attainable with the current cavity specifications. The maximum tuning range obtained was 5.59kHz for a single tuner with a coaxial line of length 63in. A double tuner cavity was also studied using the simulation software, although with little improvement in the tuning range. A promising technique to improve the tuning range involving the desynchronization of the garnets' magnetic permeabilities is proposed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Overview of System Integration Analysis Activities for Integrated Waste Management

Spent nuclear fuel (SNF) generated by the current fleet of commercial nuclear reactors is being stored at the reactor sites in spent fuel pools (SFPs) and in dry independent spent fuel storage installations (ISFSIs). The US Department of Energy Office of Nuclear Energy (DOE-NE) is developing an Integrated Waste Management Program (IWMP) comprising a suite of options and supporting analyses to enable future informed choices. The IWMP is organized into the following five major areas: 1) Consent-Based Siting, 2) IWM Facilities and Equipment Concepts and Development, 3) Transportation Capability Analysis and Support, 4) Information Technology Solutions and Support, and 5) System Integration Analysis and Support. This paper discusses the activities ongoing in the IWMP System Integration Analysis and Support area. Two main areas of research in system integration are data and tools development, as well as system analysis assessments. One of the tools being developed in the system integration area is the Used Nuclear Fuel-Storage, Transportation & Disposal Analysis Resource and Data System (UNF-ST&DARDS) tool. It is being developed as a foundational resource for DOE-NE to manage SNF data, along with several compatible analysis tools for time-dependent characterization of SNF and related systems. UNF-ST&DARDS has the unparalleled ability to track SNF through the entire back end of the fuel cycle—from the time the fuel is discharged from a reactor through its disposal in a geological repository. UNF ST&DARDS interfaces with the SCALE code system for nuclear analysis and COBRA-SFS for thermal analysis. Another main tool being developed is the Next Generation System Analysis Model (NGSAM). NGSAM is an agent-based simulation software tool expressly designed to be capable of modeling the waste management system. NGSAM has been developed to enable informed decision-making by providing the capability of analyzing various potential system options for the management of SNF and HLW. Using NGSAM, system architecture analyses are being conducted to support the future deployment of a comprehensive nuclear waste management system that considers all major back-end aspects of the nuclear fuel cycle (i.e., transportation, storage, and disposal). System analysis assessments may investigate the implications of various strategies such as different acceptance rates, acceptance queues, facility capacities and options, standardized canisters, and different assumed system operation start dates. Recently, some system analysis effort has begun to look at how the waste management system might operate for advanced reactor fuel cycles.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Validating a Dynamic PWR Safety and Security Model?

Nuclear power plants (NPPs) are assessed for safety and security using separate models that cannot capture how an attacker's decisions and a plant's response unfold together in real time, leaving regulators and operators without a complete picture of true plant vulnerability. Traditional probabilistic risk assessment (PRA) methods treat adversarial events as fixed initiators with predetermined outcomes, and are structurally incapable of representing the time-dependent interplay between physical security events, safety system response, and operator mitigative actions. At Idaho National Laboratory (INL), I contributed to the development and validation of Modeling and Analysis for Safety and Security using the Dynamic EMRALD Framework (MASS-DEF). Where static PRA relies on event-tree logic that cannot evolve mid-scenario, MASS-DEF couples a time-dependent dynamic PRA tool EMRALD (Event Modeling Risk Assessment using Linked Diagrams) with attack simulation software, allowing attacker behavior, plant system states, and operator actions to interact across time. My work focused on validating a general Pressurized Water Reactor (PWR) model. I traced model logic against PWR plant to identified errors in logic and confirm accuracy. I then built and tested attack scenarios against a general PWR model to verify that the model produced expected outcomes across all logical pathways. I also contributed a section to a related technical paper applying the same EMRALD platform to radiation dose modeling. Results show that MASS-DEF can quantitatively demonstrate that many plants exceed their regulatory security thresholds. This demonstrated margin provides a technically defensible basis for reducing the number of guards without compromising regulatory compliance. Physical security costs represent roughly 10% of annual operating budgets, making such reductions directly meaningful to INL's mission of sustaining existing commercial NPPs. This internship strengthened my understanding of nuclear systems, probabilistic modeling, and technical writing, and has solidified my pursuit of a career at a national laboratory.

98 - NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL↗
DOE OSTI2022

ArQTiC: A Full-stack Software Package for Simulating Materials on Quantum Computers

ArQTiC is an open-source, full-stack software package built for the simulations of materials on quantum computers. It currently can simulate materials that can be modeled by any Hamiltonian derived from a generic, one-dimensional, time-dependent Heisenberg Hamiltonian. ArQTiC includes modules for generating quantum programs for real- and imaginary-time evolution, quantum circuit optimization, connection to various quantum backends via the cloud, and post-processing of quantum results. By enabling users to seamlessly design, execute, and analyze materials simulations on quantum computers, ArQTiC opens this field to a broader community of scientists from a wider range of scientific domains.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

Microcomputer based software for biodynamic simulation

This paper presents a description of a microcomputer based software package, called DYNAMAN, which has been developed to allow an analyst to simulate the dynamics of a system consisting of a number of mass segments linked by joints. One primary application is in predicting the motion of a human occupant in a vehicle under the influence of a variety of external forces, specially those generated during a crash event. Extensive use of a graphical user interface has been made to aid the user in setting up the input data for the simulation and in viewing the results from the simulation. Among its many applications, it has been successfully used in the prototype design of a moving seat that aids in occupant protection during a crash, by aircraft designers in evaluating occupant injury in airplane crashes, and by users in accident reconstruction for reconstructing the motion of the occupant and correlating the impacts with observed injuries.

Rangarajan, N.↗
NASA NTRS2005

Software for Engineering Simulations of a Spacecraft

Spacecraft Engineering Simulation II (SES II) is a C-language computer program for simulating diverse aspects of operation of a spacecraft characterized by either three or six degrees of freedom. A functional model in SES can include a trajectory flight plan; a submodel of a flight computer running navigational and flight-control software; and submodels of the environment, the dynamics of the spacecraft, and sensor inputs and outputs. SES II features a modular, object-oriented programming style. SES II supports event-based simulations, which, in turn, create an easily adaptable simulation environment in which many different types of trajectories can be simulated by use of the same software. The simulation output consists largely of flight data. SES II can be used to perform optimization and Monte Carlo dispersion simulations. It can also be used to perform simulations for multiple spacecraft. In addition to its generic simulation capabilities, SES offers special capabilities for space-shuttle simulations: for this purpose, it incorporates submodels of the space-shuttle dynamics and a C-language version of the guidance, navigation, and control components of the space-shuttle flight software.

Shireman, Kirk↗
NASA NTRS2014

Model-Based GN and C Simulation and Flight Software Development for Orion Missions beyond LEO

For Orion missions beyond low Earth orbit (LEO), the Guidance, Navigation, and Control (GN&C) system is being developed using a model-based approach for simulation and flight software. Lessons learned from the development of GN&C algorithms and flight software for the Orion Exploration Flight Test One (EFT-1) vehicle have been applied to the development of further capabilities for Orion GN&C beyond EFT-1. Continuing the use of a Model-Based Development (MBD) approach with the Matlab®/Simulink® tool suite, the process for GN&C development and analysis has been largely improved. Furthermore, a model-based simulation environment in Simulink, rather than an external C-based simulation, greatly eases the process for development of flight algorithms. The benefits seen by employing lessons learned from EFT-1 are described, as well as the approach for implementing additional MBD techniques. Also detailed are the key enablers for improvements to the MBD process, including enhanced configuration management techniques for model-based software systems, automated code and artifact generation, and automated testing and integration.

Odegard, Ryan↗
NASA NTRS1995

Software For Real-Time Simulation Of Subsystems

The Real-Time Software Simulation of Small Imbedded System (SSO) computer program developed for use in simulating number of systems and subsystems of space shuttle Columbia. These systems and subsystems include system control module (SCM), ground support equipment and test assembly (GSE/TA), and support system for orbiter experiments (OEX). Consists of SCM, orbiter experiments tape recorder, and orbiter experiments pulse-code-modulation (PCM) data system. Consists of four subprograms written in C language.

Favors, Dwight A.↗
NASA NTRS1986

A technique for incorporating the NASA spacelab payload dedicated experiment processor software into the simulation system for the payload crew training complex

The feasibility of some off-the-shelf microprocessors and state-of-art software is assessed (1) as a development system for the principle investigator (pi) in the design of the experiment model, (2) as an example of available technology application for future PI's experiments, (3) as a system capable of being interactive in the PCTC's simulation of the dedicated experiment processor (DEP), preferably by bringing the PI's DEP software directly into the simulation model, (4) as a system having bus compatibility with host VAX simulation computers, (5) as a system readily interfaced with mock-up panels and information displays, and (6) as a functional system for post mission data analysis.

Bremmer, D. A.↗
NASA NTRS1974

Simulation verification techniques study. Subsystem simulation validation techniques

Techniques for validation of software modules which simulate spacecraft onboard systems are discussed. An overview of the simulation software hierarchy for a shuttle mission simulator is provided. A set of guidelines for the identification of subsystem/module performance parameters and critical performance parameters are presented. Various sources of reference data to serve as standards of performance for simulation validation are identified. Environment, crew station, vehicle configuration, and vehicle dynamics simulation software are briefly discussed from the point of view of their interfaces with subsystem simulation modules. A detailed presentation of results in the area of vehicle subsystems simulation modules is included. A list of references, conclusions and recommendations are also given.

Duncan, L. M.↗
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↗
DOE OSTI2024

Molecular Dynamics Simulation of Complex Reactivity with the Rapid Approach for Proton Transport and Other Reactions (RAPTOR) Software Package

Simulating chemically reactive phenomena such as proton transport on nanosecond to microsecond and beyond time scales is a challenging task. Ab initio methods are unable to currently access these time scales routinely, and traditional molecular dynamics methods feature fixed bonding arrangements that cannot account for changes in the system’s bonding topology. The Multiscale Reactive Molecular Dynamics (MS-RMD) method, as implemented in the Rapid Approach for Proton Transport and Other Reactions (RAPTOR) software package for the LAMMPS molecular dynamics code, offers a method to routinely sample longer time scale reactive simulation data with statistical precision. RAPTOR may also be interfaced with enhanced sampling methods to drive simulations toward the analysis of reactive rare events, and a number of collective variables (CVs) have been developed to facilitate this. Key advances to this methodology, including GPU acceleration efforts and novel CVs to model water wire formation are reviewed, along with recent applications of the method which demonstrate its versatility and robustness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Software life cycle dynamic simulation model: The organizational performance submodel

The submodel structure of a software life cycle dynamic simulation model is described. The software process is divided into seven phases, each with product, staff, and funding flows. The model is subdivided into an organizational response submodel, a management submodel, a management influence interface, and a model analyst interface. The concentration here is on the organizational response model, which simulates the performance characteristics of a software development subject to external and internal influences. These influences emanate from two sources: the model analyst interface, which configures the model to simulate the response of an implementing organization subject to its own internal influences, and the management submodel that exerts external dynamic control over the production process. A complete characterization is given of the organizational response submodel in the form of parameterized differential equations governing product, staffing, and funding levels. The parameter values and functions are allocated to the two interfaces.

Tausworthe, Robert C.↗
NASA NTRS2010

Model for Simulating a Spiral Software-Development Process

A discrete-event simulation model, and a computer program that implements the model, have been developed as means of analyzing a spiral software-development process. This model can be tailored to specific development environments for use by software project managers in making quantitative cases for deciding among different software-development processes, courses of action, and cost estimates. A spiral process can be contrasted with a waterfall process, which is a traditional process that consists of a sequence of activities that include analysis of requirements, design, coding, testing, and support. A spiral process is an iterative process that can be regarded as a repeating modified waterfall process. Each iteration includes assessment of risk, analysis of requirements, design, coding, testing, delivery, and evaluation. A key difference between a spiral and a waterfall process is that a spiral process can accommodate changes in requirements at each iteration, whereas in a waterfall process, requirements are considered to be fixed from the beginning and, therefore, a waterfall process is not flexible enough for some projects, especially those in which requirements are not known at the beginning or may change during development. For a given project, a spiral process may cost more and take more time than does a waterfall process, but may better satisfy a customer's expectations and needs. Models for simulating various waterfall processes have been developed previously, but until now, there have been no models for simulating spiral processes. The present spiral-process-simulating model and the software that implements it were developed by extending a discrete-event simulation process model of the IEEE 12207 Software Development Process, which was built using commercially available software known as the Process Analysis Tradeoff Tool (PATT). Typical inputs to PATT models include industry-average values of product size (expressed as number of lines of code), productivity (number of lines of code per hour), and number of defects per source line of code. The user provides the number of resources, the overall percent of effort that should be allocated to each process step, and the number of desired staff members for each step. The output of PATT includes the size of the product, a measure of effort, a measure of rework effort, the duration of the entire process, and the numbers of injected, detected, and corrected defects as well as a number of other interesting features. In the development of the present model, steps were added to the IEEE 12207 waterfall process, and this model and its implementing software were made to run repeatedly through the sequence of steps, each repetition representing an iteration in a spiral process. Because the IEEE 12207 model is founded on a waterfall paradigm, it enables direct comparison of spiral and waterfall processes. The model can be used throughout a software-development project to analyze the project as more information becomes available. For instance, data from early iterations can be used as inputs to the model, and the model can be used to estimate the time and cost of carrying the project to completion.

Mizell, Carolyn↗
NASA NTRS1982

A real-time dynamic spacecraft simulator for the LANDSAT-D mission

A real time dynamic simulator for LANDSAT D was developed and has played an integral role in the development and validation of both the ground control system and of the on-board flight software. The simulator utilized an electronic replica of the spacecraft on-board computer and data handling hardware interfaced to a VAX 11/780 computer and simulation software. Key features of the simulator design are a modular software architecture tailored to the VAX/VMS real time capabilities, a microprocessor controlled interface between the VAX and the flight hardware replica, complete simulation of the spacecraft and NASA network communication links, and a flexible and powerful scenario structuring and operator control capability. The design goals and trade-offs, software, and hardware design are summarized. The application of the simulator to the validation of both the ground systems and on-board software is reviewed in detail.

Coffin, A. R.↗