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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Team Software Development for Aerothermodynamic and Aerodynamic Analysis and Design

A collaborative approach to software development is described. The approach employs the agile development techniques: project retrospectives, Scrum status meetings, and elements of Extreme Programming to efficiently develop a cohesive and extensible software suite. The software product under development is a fluid dynamics simulator for performing aerodynamic and aerothermodynamic analysis and design. The functionality of the software product is achieved both through the merging, with substantial rewrite, of separate legacy codes and the authorship of new routines. Examples of rapid implementation of new functionality demonstrate the benefits obtained with this agile software development process. The appendix contains a discussion of coding issues encountered while porting legacy Fortran 77 code to Fortran 95, software design principles, and a Fortran 95 coding standard.

Alexandrov, N.↗
DOE OSTI2021

Finite Element Analysis (FEA) for Water-Foam Fracturing of Granite Rock

In addition to the foam data that were obtained from literature and that were collected from the current study, simulation data was also generated from finite element analysis (FEA) conducted in this study using COMSOL Multiphysics software. The FEA models were built to simulate the experiments conducted at Oak Ridge National Laboratory (ORNL) on cement and granite samples. In these FEA models, temperature was kept at ambient while the pressure profile resembled the loading conditions during the ORNL experiments, where pressure was either monotonically increased or applied cyclically. The cement material was used as a model material and was used to study Von Mises stress and tensile stress distribution for different bore hole length geometry using a parametric sweep with water as fracturing fluid using solid-fluid interaction module. For the granite material, FEA models were developed for stress analysis of cylindrical samples with water or foam fluids. The solid mechanics module in COMSOL was implemented to solve for Von Mises stress and tensile stress. The fluid-structure interaction module was implemented to solve for water-foam interaction on granite cylinder with addition of fluid-loading on structure, i.e., large deformation in solid mechanics with no impact on fluid deformation. Foam was considered as a pseudo single-phase compressible fluid for which material properties were calculated from water and gas (nitrogen) phases. The density of foam is calculated as a function of the densities of water and nitrogen, while viscosity is a function of temperature. Four types of FEA analyses were modelled: 1. Monotonic injection with water 2. Monotonic injection with foam 3. Cyclic injection with water 4. Cyclic injection with foam All the COMSOL files are converted to a zip file which is save in .mph.

15 GEOTHERMAL ENERGY↗
NASA NTRS2012

Euclid Cosmological Simulations Requirements and Implementation Plan

Simulations are essential for the successful undertaking of the Euclid mission. The simulations requirements for the Euclid mission are vast ! It is an enormous undertaking that includes development of software and acquisition of hardware facilities. The simulations requirements are currently being finalised - please contact myself or Elisabetta Semboloni if you would like to add/modify any r equi r ements (or if you would like to be involved in the development of the simulations).

halo properties↗
NASA NTRS1992

High performance flight simulation at NASA Langley

The use of real-time simulation at the NASA facility is reviewed specifically with regard to hardware, software, and the use of a fiberoptic-based digital simulation network. The network hardware includes supercomputers that support 32- and 64-bit scalar, vector, and parallel processing technologies. The software include drivers, real-time supervisors, and routines for site-configuration management and scheduling. Performance specifications include: (1) benchmark solution at 165 sec for a single CPU; (2) a transfer rate of 24 million bits/s; and (3) time-critical system responsiveness of less than 35 msec. Simulation applications include the Differential Maneuvering Simulator, Transport Systems Research Vehicle simulations, and the Visual Motion Simulator. NASA is shown to be in the final stages of developing a high-performance computing system for the real-time simulation of complex high-performance aircraft.

Cleveland, Jeff I., II↗
DOE OSTI2020

Mind the Gap: Building Simulation in the Architectural Design Studio

Building modelling and simulation approaches are increasingly being utilized in architectural design studios to guide and inform the design process and offer evidence-based feedback on proposed building performance. The development of intuitive and simplified simulation interfaces has greatly contributed to achieving this integration. One aspect that is often overlooked is the workflow that governs and regulates integrated design, which can have significant impacts on final design outcomes. Currently there are numerous software packages available for building performance simulations. This makes it challenging to select an appropriate tool that provides accurate results yet allows a designer to make informed architectural decisions with a designer-friendly interface. Furthermore, workflows to incorporate simulations into the design process proved to highly impact student’s project design integration. Yet, it is not clear what type of workflows are successful to achieve this goal, under what conditions, and/or for which building and site typologies. This paper addresses these issues by first reviewing three different workflows for integrating building performance simulation processes and highlighting their strengths and weaknesses. Second, a comparative case study approach was employed to test three of the most common workflows in three different integrated design architectural studios at the senior and vertical studio levels as well as in two courses that run parallel and complementary to the design studios. The workflows, processes, and the resultant student projects were further analyzed based on criteria for better integrated design and architectural excellence as outlined in the American Institute of Architects Committee on the Environment (AIA COTE) Top 10 Student’s Competition. Third, to situate the pedagogical case studies’ results within a larger context, a survey of the AIA COTE Top 10 student competition award recipients over the last five years was conducted. The results are summarized in a pedagogical framework that outlines best strategies of the type of workflows, software, design process used, methods to achieve desired interaction between design process and analytical feedback, and metrics for educators to evaluate the success of this integration and their learning outcomes in the design studio. The goal is to help bridge the gap between the building design and simulation within the design studio’s creative process for more integrated design outcomes.

Elzeyadi, Ihab↗
NASA NTRS1999

Hybrid Modeling for Testing Intelligent Software for Lunar-Mars Closed Life Support

Intelligent software is being developed for closed life support systems with biological components, for human exploration of the Moon and Mars. The intelligent software functions include planning/scheduling, reactive discrete control and sequencing, management of continuous control, and fault detection, diagnosis, and management of failures and errors. Four types of modeling information have been essential to system modeling and simulation to develop and test the software and to provide operational model-based what-if analyses: discrete component operational and failure modes; continuous dynamic performance within component modes, modeled qualitatively or quantitatively; configuration of flows and power among components in the system; and operations activities and scenarios. CONFIG, a multi-purpose discrete event simulation tool that integrates all four types of models for use throughout the engineering and operations life cycle, has been used to model components and systems involved in the production and transfer of oxygen and carbon dioxide in a plant-growth chamber and between that chamber and a habitation chamber with physicochemical systems for gas processing.

Malin, Jane T.↗
DOE OSTI2021

Scoreboard

Emerging HPC machines have given rise to enhanced compute power that far outstrips the machine's ability to save large scale results for post-processing. To combat this, in situ data analysis techniques are slowly being adopted. With in situ data management favoring workflows composed of multiple simulations and analyses connected in transit on heterogeneous machines, scientists and engineers need a tool that enables them to create data extracts, visualizations, and interactively monitor and steer their simulations. Scoreboard Phase II is a next generation analysis software that supports composite in transit workflows on heterogeneous architectures and restores interactivity to in situ data analysis through simulation monitoring and computational steering. Scoreboard provides a simulation dashboard with graphs of metrics over time, controls for setting custom simulation steering parameters, controls for managing the set of data extracts being produced in the simulation, as well as the ability to explore data extracts, all from a web browser. Realizing the vision outlined in this project required research into making a system that integrates end to end from simulations all the way to the user. In situ tools generally suffer from complexity and excessive software dependencies. Scoreboard, by contrast, is easy to build and integrate into simulation codes and it provides first class FORTRAN support. The Scoreboard library is capable of in situ and in transit data analysis that can produce data extracts commonly needed for Computational Fluid Dynamics (CFD) analysis. Simulations can transparently stage data in transit to a Scoreboard Endpoint program, which can accept their data and produce the requested data extracts. This lets simulations return to their work while the Endpoint works on the analysis. Efficiently staging the data at scale was a topic of this research. Scoreboard provides the means to let the user manage data extracts and monitor/steer many simulations from a web browser. This area of the research focused on discovery of in transit network components to expose and control their steering parameters within an interactive browser-based user interface that includes: system topology, gathered metrics, notifications, dynamically-generated steering controls, and exploration of visualization data products.

Whitlock, BradJoseph [Intelligent Light] (00000001↗
DOE OSTI2023

Version 2.0.0 - M-SPARC: Matlab-Simulation Package for Ab-initio Real-space Calculations

M-SPARC is a Matlab code for performing ab initio Kohn–Sham Density Functional Theory simulations. Version 2.0.0 of the software further extends its capability to include relativistic effects, dispersion interactions, and advanced semilocal/nonlocal exchange–correlation functionals. These features significantly increase the fidelity of first principles calculations that can be performed using M-SPARC.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations

CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular and biological systems. It is especially aimed at massively-parallel and linear-scaling electronic structure methods and state-of-the-art ab-initio molecular dynamics simulations. Excellent performance for electronic structure calculations is achieved using novel algorithms implemented for modern high-performance computing systems. This review revisits the main capabilities of CP2K to perform efficient and accurate electronic structure simulations. The emphasis is put on density functional theory and multiple post-Hartree-Fock methods using the Gaussian and plane wave approach and its augmented all-electron extension. TDK has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (grant agreement No. 716142). VRR has been supported by the Swiss National Science Foundation in the form of Ambizione grant No. PZ00P2 174227 and RZK by the Natural Sciences and Engineering Research Council of Canada (NSERC) through Discovery Grants (RGPIN-2016-0505). GKS and CJM are supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. UK based work was funded under the embedded CSE programme of the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk), grants eCSE03-011, eCSE06-6, eCSE08-9, eCSE13-17 and the EPSRC (EP/P022235/1) grant “Surface and Interface Toolkit for the Materials Chemistry Community". Computational resources were provided by the Swiss National Supercomputing Centre (CSCS) and Compute Canada. The generous allocation of computing time on the FPGA-based supercomputer “Noctua" at PC2 is kindly acknowledged.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Calibration and validation of the foundation for a multiphase strength model for tin

In this work, the Common Model of Multi-phase Strength and Equation of State (CMMP) model was applied to tin. Specifically, calibrations of the strength-specific elements of the CMMP foundation were developed with a combination of experiments and theory, and then the model was validated experimentally. The first element of the foundation is a multi-phase analytic treatment of the melt temperature and the shear modulus for the solid phases. These models were parameterized for each phase based on ab initio calculations using the software VASP (Vienna Ab initio Simulations Package) based on density functional theory. The shear modulus model for the ambient phase was validated with ultrasonic sound speed measurements as a function of pressure and temperature. The second element of the foundation is a viscoplastic strength model for the phase, upon which strength for inaccessible higher-pressure phases can be scaled as necessary. The stress–strain response of tin was measured at strain rates of 10 -3 to 3 x 10 3 s -1 and temperatures ranging from 87 to 373 K. The Preston–Tonks–Wallace (PTW) strength model was fit to that data using Bayesian model calibration. For validation, six forward and two reverse Taylor impact experiments were performed at different velocities to measure large plastic deformation of tin at strain rates up to ⁠10 5 s -1 . The PTW model accurately predicted the deformed shapes of the cylinders, with modest discrepancies attributed to the inability of PTW to capture the effects of twinning and dynamic recrystallization. Some material in the simulations of higher velocity Taylor cylinders reached the melting temperature, thus testing the multiphase model because of the presence of a second phase, the liquid. In simulations using a traditional modeling approach, the abrupt reduction of strength upon melt resulted in poor predictions of the deformed shape and non-physical temperatures. With CMMP, the most deformed material points evolved gradually to a mixed solid–liquid but never a fully liquid state, never fully lost strength, stayed at the melt temperature as the latent heat of fusion was absorbed, and predicted the deformed shape well.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Pronghorn: A Multidimensional Coarse Mesh Application for Advanced Reactor Thermal-Hydraulics

This paper presents an overview of Pronghorn, a multiscale thermal-hydraulic (T/H) application developed by Idaho National Laboratory and the University of California, Berkeley. Pronghorn, built on the open-source finite element Multiphysics Object-Oriented Simulation Environment (MOOSE), leverages state-of-the-art physical models, numerical methods, and nonlinear solvers to deliver fast-running advanced reactor T/H simulation capabilities within a modern software engineering environment. This work summarizes the physical models, multiphysics and multiscale coupling, and numerical discretization in Pronghorn with emphasis on our initial target application to pebble bed reactors (PBRs). A diverse set of applications are shown to depressurized natural circulation in the SANA experiments, forced convection in the Pebble Bed Modular Reactor, three-dimensional (3-D)/one-dimensional coupling of Pronghorn and RELAP-7 systems T/H for loop analysis in the High Temperature Reactor Power Module, and forced convection in the Mark-1 Pebble Bed Fluoride-Salt-Cooled High-Temperature Reactor. A multiphysics coupling of Pronghorn, RELAP-7, and Griffin deterministic neutronics for a gas-cooled PBR demonstrates the capability of the MOOSE framework for reactor design calculations. These applications highlight the verification and validation underlying Pronghorn’s software development while emphasizing features that improve upon capabilities offered by legacy tools in areas such as 3-D unstructured meshing, physics modeling, and multiphysics coupling.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

CityLearn v2: energy-flexible, resilient, occupant-centric, and carbon-aware management of grid-interactive communities

As more distributed energy resources become part of the demand-side infrastructure, quantifying their energy flexibility on a community scale is crucial. CityLearn v1 provided an environment for benchmarking control algorithms. However, there is no standardized environment utilizing realistic building-stock datasets for distributed energy resource control benchmarking without co-simulation or third-party frameworks. CityLearn v2 extends CityLearn v1 by providing a stand-alone simulation environment that leverages the End-Use Load Profiles for the U.S. Building Stock dataset to create grid-interactive communities for resilient, multi-agent, and objective control of distributed energy resources with dynamic occupant feedback. While the v1 environment used pre-simulated building thermal loads, the v2 environment uses data-driven thermal dynamics and eliminates the need for co-simulation with building energy performance software. This work details the v2 environment and provides application examples that use reinforcement learning control to manage battery energy storage system, vehicle-to-grid control, and thermal comfort during heat pump power modulation.

Nweye, Kingsley↗
DOE OSTI2020

TChem 2.0

The TChem toolkit is an object-oriented C++ software library that enables numerical simulations using complex chemistry and facilitates the analysis of detailed kinetic models. The toolkit provides capabilities for thermodynamic properties and gas-phase and surface chemistry. The computations rely on the Kokkos framework for parallel execution on many-core and GPU-based platforms. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525. SAND2021-2752 O

Kim, Kyungjoo↗
DOE OSTI2021

N2A

N2A includes an object-oriented language for modeling neural systems as well as a software tool for editing and simulating models. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-2695 O

Rothganger, Frederick↗
DOE OSTI2023

Energy Storage Sizing, Placement and Valuation for Distribution Networks

SAND2023-05682O The Energy Storage Sizing, Placement, and Valuation for Distribution software allows a user to simulate sizing, placement, and operation of one or more storage assets on a distribution grid. Among its features are measuring differences to determine the best combinations, and options for configuring and comparing results. This new simulation capability leverages the Open Distribution System Simulator and the Hierarchical Engine for Large-scale Infrastructure Co-Simulation (HELICS). Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Tamrakar, Ujjwol↗
DOE OSTI2023

pnnl/FermionicSwap

The software allows rapid development of simulations using the fermionic swap method on Microsoft's Quantum Development Kit (QDK) framework. Gate, circuit, etc. costs can be estimated using Microsoft's resource estimator

Hagge, Tobias↗
DOE OSTI2026

Model Data Archive Associated with Manuscript "Fire-altered Carbon Pools Create Disturbance Memory in Stream Dissolved Organic Carbon"

This data package supports the publication “Fire-altered Carbon Pools Create Disturbance Memory in Stream Dissolved Organic Carbon” by Li et al. (2026). The package contains processed model inputs, configuration files, restart files, simulation outputs, scripts, and visualization products used to evaluate post-fire dissolved organic carbon (DOC) dynamics in the Naches River Watershed, Washington, USA, following the 2021 Schneider Springs Fire. The modeling workflow couples ELM-BGC, the biogeochemistry-enabled Energy Exascale Earth System Model Land Model; ATS, the Advanced Terrestrial Simulator for integrated surface-subsurface hydrology; and PFLOTRAN, a reactive transport model for multicomponent aqueous geochemistry. Together, these models simulate how wildfire-induced changes in vegetation, litter, coarse woody debris, and soil organic matter influence DOC production, transport, and reaction from burned hillslopes to stream networks. The archive includes preprocessed meteorological, geospatial, hydrologic, and biogeochemical forcing data; ELM-BGC-derived DOC source terms; ATS mesh files; PFLOTRAN reactive-transport inputs; model configuration files; spin-up and transient restart files; watershed-scale diagnostic outputs; stream concentration time series; and figures or visualization files used to inspect and reproduce key results. File types include Hierarchical Data Format 5 (HDF5) files for gridded forcing and model-coupling data, model input and configuration files for ELM-BGC, ATS, and PFLOTRAN, restart and simulation-output files generated by the modeling workflow, tabular or time-series diagnostic outputs, scripts for post-processing and figure generation, and image or visualization products associated with the manuscript. Use of the package depends on the intended task. Re-running the simulations requires the relevant modeling software, including ELM-BGC, ATS, and PFLOTRAN as ATS's geochemical engine. Inspecting outputs and reproducing figures requires Python with scientific plotting libraries such as Matplotlib, and three-dimensional model outputs may be viewed with ParaView. Geographic information system files or maps may be inspected with ArcGIS Pro or comparable GIS software. The data package is intended to enable traceability, reuse, and partial reproduction of the coupled land-to-watershed hydro-biogeochemical modeling workflow used to test how wildfire disturbance affects terrestrial carbon pools and downstream DOC dynamics.

ATS↗
DOE OSTI2021

WaterTAP 0.3 Release

The Water treatment Technoeconomic Assessment Platform (WaterTAP) is an open-source Python-based software package that supports the simulation and optimization of process-scale water treatment trains. WaterTAP seeks to provide the broader water research community with an integrated modeling capability to evaluate cost, energy, and environmental tradeoffs across water treatment options and identify high impact opportunities for innovation including novel materials, processes, and systems. An updated version of WaterTAP is released quarterly and each includes documentation and release notes.

IDAES↗