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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

HyRAM+ (Hydrogen Plus Other Alternative Fuels Risk Assessment Models) v.5.1.1

HyRAM+ is a software toolkit for conducting quantitative risk assessment (QRA) and consequence modeling for hydrogen and other alternative fuels infrastructure and transportation systems. HyRAM+ contains validated, simplified release behavior models, a standardized QRA approach, and engineering models and generic data relevant to hydrogen installations. HyRAM (hydrogen-only) versions 1.0 to 3.1 were developed by Sandia for the U.S. Department of Energy (DOE) Hydrogen and Fuel Cell Technologies Office (HFTO). The U.S. DOE Vehicle Technologies Office (VTO) and U.S. Department of Transportation (DOT) Pipeline and Hazardous Material Safety Administration (PHMSA) contributed to the development of HyRAM+ version 4.0 regarding the addition of methane (natural gas) and propane 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. SAND2021-10862 O

Groth, Katrina↗
DOE OSTI2025

HyRAM+ (Hydrogen Plus Other Alternative Fuels Risk Assessment Models) v.6.1

SAND2025-11565O HyRAM+ (Hydrogen Plus Other Alternative Fuels Risk Assessment Models) is a tool for conducting quantitative risk assessment (QRA) in transportation systems. HyRAM+ contains validated, simplified release behavior models, engineering models, and generic data relevant to hydrogen installations. HyRAM+’s platform integrates models and data to conduct QRA on user-defined hydrogen or other alternative fuel systems. The software will enable the international safety research community to add validated models to the HyRAM+ platform for use in QRAs. HyRAM (hydrogen-only) versions 1.0 to 3.1 were developed by Sandia for the Department of Energy (DOE) Hydrogen and Fuel Cell Technologies Office. The following agencies contributed to the development of HyRAM+ version 4.0 regarding the addition of methane (natural gas) and propane models: the DOE Vehicle Technologies Office and the Department of Transportation Pipeline and Hazardous Material Safety Administration. 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.

Groth, Katrina [Sandia National Lab. (SNL-NM), Alb↗
DOE OSTI2021

Google/Makani Energy Kite Modeling (CRADA CRD-18-00569 Final Report)

In support of Makani’s energy kite development program, Makani engaged with NREL to develop, verify, and document a multiphysics engineering model of a megawatt-scale tethered energy kite (named KiteFAST). After the original development of KiteFAST was completed, Makani further engaged NREL to develop a software enhancement of KiteFAST to enable the dynamics modeling of an energy kite tethered to a floating offshore platform (named KiteFAST-OS). Before this project, the capability to model the aero-hydro-servo-elastic dynamics of an airborne wind energy (AWE) system with electricity generation on the flying device (fly gen) and crosswind flight operation did not exist. Such physics-based modeling capability is needed for loads analysis, structural design, and certification of energy kites. Throughout the project, an exclusive license kept KiteFAST and KiteFAST-OS available only to Makani, NREL, and its counterparts. With the ending of Makani, the KiteFAST and KiteFAST-OS software were merged into a single code base (named KiteFAST), the exclusive license was terminated, and the source code, documentation, and example models were released publicly.

17 WIND ENERGY↗
DOE OSTI2024

Software Quality Assurance Plan ANSYS LSDYNA Version 2023R1

ANSYS Inc. develops and markets engineering simulation software and services used in the aerospace, automotive, manufacturing, electronics, biomedical, energy, defense, and many other industries. ANSYS is dedicated to engineering simulation and is the world’s leading software provider. ANSYS was founded in 1970 and is headquartered in Canonsburg, Pennsylvania. ANSYS provides an engineering analysis tool combining structural, thermal, computational fluid dynamics, acoustic and electromagnetic simulation capabilities. ANSYS LS-DYNA is the most used explicit simulation program capable of simulating the response of materials to short periods of severe loading. Its many elements, contact formulations, material models, and other controls can be used to simulate complex models with control over all the details of the problem. ANSYS LS-DYNA has a vast array of capabilities to simulate extreme deformation problems using its explicit solver. Engineers can tackle simulations involving material failure and look at how the failure progresses through a part or through a system. Models with large amounts of parts or surfaces interacting with each other are also easily handled, and the interactions and load passing between complex behaviors are modeled accurately. Using computers with higher numbers of CPU cores can drastically reduce solution times. In addition, many consulting firms and hundreds of universities use ANSYS for analysis, research, and educational purposes. ANSYS is recognized worldwide as one of the most widely used and capable programs of its type. ANSYS has successfully passed over 100 customer quality system audits against American Society of Mechanical Engineers (ASME) NQA-1 and 10 CFR Part 50, Appendix B, since the company was founded, over 60 of which have been since 1997. ANSYS has successfully passed over 100 International Organization for Standardization (ISO) 9001 assessments. ANSYS design analysis software is the first created within a quality system with ISO 9001 certification, which is the internationally accepted quality standard. Product development, testing, maintenance, and support processes also meet the US Nuclear Regulatory Commission’s (NRC’s) quality requirements, as they have for nearly four decades. ANSYS staff perform more than 60,000 software verification tests before releasing each new product. ASME NQA-1-2012 (Subpart 2.7 is specific to software) is the industry- and NRC-accepted approach (consensus standard) for meeting 10 CFR Part 50, Appendix B, requirements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Hydrogen Plus Other Alternative Fuels Risk Assessment Models (HyRAM+) (Technical Reference Manual V.4)

The HyRAM+ software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen, methane, and propane infrastructure and transportation systems. HyRAM+ is designed to facilitate the use of state-of-the-art science and engineering models to conduct robust, repeatable assessments of safety, hazards, and risk. HyRAM+ includes generic probabilities for equipment failures, probabilistic models for the impact of heat flux on humans and structures, and experimentally validated first-order models of release and flame physics. HyRAM+ integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing hazards (thermal effects from jet fires, overpressure effects from delayed ignition), and assessing impact on people and structures. HyRAM+ is developed at Sandia National Laboratories to support the development and revision of national and international codes and standards. HyRAM+ is a research software in active development and thus the models and data may change. This report will be updated at appropriate developmental intervals. This document provides a description of the methodology and models contained in HyRAM+ version 4.0. The most significant change for HyRAM+ version 4.0 from HyRAM version 3.1 is the incorporation of other alternative fuels, namely methane (as a proxy for natural gas) and propane into the toolkit. This change necessitated significant changes to the installable graphical user interface as well as changes to the back-end Python models. A second major change is the inclusion of physics models for the overpressure associated with the delayed ignition of an unconfined jet/plume of flammable gas.

02 PETROLEUM↗
DOE OSTI2021

Hydrogen Risk Assessment Models (HyRAM) (V.3.1) (Technical Reference Manual)

The HyRAM software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen infrastructure and transportation systems. HyRAM is designed to facilitate the use of state-of-the-art science and engineering models to conduct robust, repeatable assessments of hydrogen safety, hazards, and risk. HyRAM includes generic probabilities for hydrogen equipment failures, probabilistic models for the impact of heat flux on humans and structures, and experimentally validated first-order models of hydrogen release and flame physics. HyRAM integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing hydrogen hazards (thermal effects from jet res, overpressure effects from deflagrations), and assessing impact on people and structures. HyRAM is developed at Sandia National Laboratories for the U.S. Department of Energy to increase access to technical data about hydrogen safety and to enable the use of that data to support development and revision of national and international codes and standards. HyRAM is a research software in active development and thus the models and data may change. This report will be updated at appropriate developmental intervals. This document provides a description of the methodology and models contained in HyRAM version 3.1. There have been several impactful updates since version 3.0. HyRAM 3.1 contains a correction to use the volume fraction for two-phase speed of sound calculations; this only affects cryogenic releases in which two-phase ow (vapor and liquid) is predicted in the orifice. Other changes include clarifications that inputs for tank pressure should be given in absolute pressure, not gauge pressure. Additionally, the interface now rejects invalid inputs to probability distributions, and the less accurate single-point radiative source model selection was removed from the interface.

08 HYDROGEN↗
DOE OSTI2022

Ontology Development Kit: a toolkit for building, maintaining and standardizing biomedical ontologies

Similar to managing software packages, managing the ontology life cycle involves multiple complex workflows such as preparing releases, continuous quality control checking and dependency management. To manage these processes, a diverse set of tools is required, from command-line utilities to powerful ontology-engineering environmentsr. Particularly in the biomedical domain, which has developed a set of highly diverse yet inter-dependent ontologies, standardizing release practices and metadata and establishing shared quality standards are crucial to enable interoperability. The Ontology Development Kit (ODK) provides a set of standardized, customizable and automatically executable workflows, and packages all required tooling in a single Docker image. In this paper, we provide an overview of how the ODK works, show how it is used in practice and describe how we envision it driving standardization efforts in our community.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2024

NEML2: A High Performance Library for Constitutive Modeling

NEML2, the New Engineering Material model Library, version 2, is an offshoot of NEML, an earlier material modeling code developed at Argonne National Laboratory. NEML2 extends the key philosophy of its predecessor, i.e., material models are flexible, modular, and can be built from smaller blocks. It also provides modern features that do not exist in the framework of its predecessor such as material model vectorization, automatic differentiation, device-portable just-in-time compilation, operator fusion, lazy tensor evaluation, etc. Moreover, NEML2 can seamlessly integrate with the popular machine learning package PyTorch to take advantage of modern and fast-growing machine learning techniques. In this fiscal year, the development of core library features and capabilities are complete. The purpose of this report is not to serve as a verbatim copy of the software API reference (which is available online at https://reverendbedford.github.io/neml2/). Instead, this report documents the motivation, implementation, design choices, and usage of each core capability as well as their applications in solving practical engineering problems. This report is compiled based on the NEML2 major release 2.0.0.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hydrogen Risk Assessment Models (HyRAM) (Version 3.0 Technical Reference Manual)

The HyRAM software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen infrastructure and transportation systems. HyRAM is designed to facilitate the use of state-of-the-art science and engineering models to conduct robust, repeatable assessments of hydrogen safety, hazards, and risk. HyRAM includes generic probabilities for hydrogen equipment failures, probabilistic models for the impact of heat flux on humans and structures, and computationally and experimentally validated first-order models of hydrogen release and flame physics. HyRAM integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing hydrogen hazards (thermal effects from jet fires, overpressure effects from deflagrations), and assessing impact on people and structures. HyRAM is developed at Sandia National Laboratories for the U.S. Department of Energy to increase access to technical data about hydrogen safety and to enable the use of that data to support development and revision of national and international codes and standards. HyRAM is a research software in active development and thus the models and data may change. This report will be updated at appropriate developmental intervals. This document provides a description of the methodology and models contained in the HyRAM version 3.0. HyRAM 3.0 includes the new ability to model cryogenic hydrogen releases from liquid hydrogen systems, using a different property calculation method and different equations of state. Other changes include modifications to the ignition probability calculations, component leak frequency calculations, and addition of default impulse data.

08 HYDROGEN↗
DOE OSTI2018

Resource Aware Intelligent Network Services (RAINS) Final Technical Report

The Resource Aware Intelligent Network Services (RAINS) project conducted research and developed technologies in the area of cyber infrastructure resource modeling and computation. The goal of this work was to provide a foundation to enable intelligent, software defined services which spanned the network AND the resources which connect to the network. A Multi-Resource Service Plane (MRSP) was defined, which allows resource owners/managers to locate and place themselves from a topology and service availability perspective within the dynamic networked cyberinfrastructure ecosystem. The MRSP enables the presentation of integrated topology views and computation results which can include resources across the spectrum of compute, storage, and networks. The RAINS project developed MSRP includes the following key components: i) Multi-Resource Service (MRS) Ontology/Multi-Resource Markup Language (MRML), ii) Resource Computation Engine (RCE), iii) Modular Driver Framework (to allow integration of a variety of external resources). The MRS/MRML is a general and extensible modeling framework that allows for resource owners to model, or describe, a wide variety of resource types. All resources are described using three categories of elements: Resources, Services, and Relationships between the elements. This modeling framework defines a common method for the transformation of cyber infrastructure resources into data in the form of MRML models. In order to realize this infrastructure datification, the RAINS project developed a model based computation system, i.e. “RAINS Computation Engine (RCE)”. The RCE has the ability to ingest, process, integrate, and compute based on automatically generated MRML models. The RCE interacts with the resources thru system drivers which are specific to the type of external network or resource controller. The RAINS project developed a modular and pluggable driver system which facilities a variety of resource controllers to automatically generate, maintain, and distribute MRML based resource descriptions. Once all of the resource topologies are absorbed by the RCE, a connected graph of the full distributed system topology is constructed, which forms the basis for computation and workflow processing. The RCE includes a Modular Computation Element (MCE) framework which allows for tailoring of the computation process to the specific set of resources under control, and the services desired. The input and output of an MCE are both model data based on MRS/MRML ontology and schema. Some of the RAINS project accomplishments include: Development of general and extensible multi-resource modeling framework; Design of a Resource Computation Engine (RCE) system which includes the following key capabilities; Absorb a variety of multi-resource model types and build integrated models; Novel architecture which uses model based communications across the full stack for all Flexible provision of abstract or intent based user facing interfaces; Workflow processing based on model descriptions; Release of the RCE as an open source software; Deployment of RCE in the University of Maryland/Mid-Atlantic Crossroad ScienceDMZ in prototype mode with a plan under way to transition to production; Deployment at the Argonne National Laboratory DTN Facility in prototype mode; Selection of RCE by the DOE SENSE (SDN for End-to-end Networked Science at the Exascale) project as the basis for their orchestration service.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

beluga

Submission-beluga is an open-source optimal control software that uses publicly available indirect methods to model inequality constraints at boundaries. This release of beluga introduces a method known as UTM, modified handling of constraints to support the UTM method, and includes bug fixes and related requirements changes.SAND2020-12847 M 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.

Sparapany, Michael↗
DOE OSTI2021

Oxidation and pyrolysis of methyl propyl ether

The ignition, oxidation, and pyrolysis chemistry of methyl propyl ether (MPE) was probed experimentally at several different conditions, and a comprehensive chemical kinetic model was constructed to help understand the observations, with many of the key parameters computed using quantum chemistry and transition state theory. Experiments were carried out in a shock tube measuring time variation of CO concentrations, in a flow tube measuring product concentrations, and in a rapid compression machine (RCM) measuring ignition delay times. The detailed reaction mechanism was constructed using the Reaction Mechanism Generator software. Sensitivity and flux analyses were used to identify key rate and thermochemical parameters, which were then computed using quantum chemistry to improve the mechanism. Validation of the final model against the 1-20 bar 600-1500 K experimental data is presented with a discussion of the kinetics. The model is in excellent agreement with most of the shock tube and RCM data. Strong non-monotonic variation in conversion and product distribution is observed in the flow-tube experiments as the temperature is increased, and unusually strong pressure dependence and significant heat release during the compression stroke is observed in the RCM experiments. These observations are largely explained by a close competition between radical decomposition and addition to O2 at different sites in MPE; this causes small shifts in conditions to lead to big shifts in the dominant reaction pathways. The validated mechanism was used to study the chemistry occurring during ignition in a diesel engine, simulated using Ignition Quality Test (IQT) conditions. At the IQT conditions, where the MPE concentration is higher, bimolecular reactions of peroxy radicals are much more important than in the RCM.

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

User Guide to the Advanced Dimensional Depletion for Engineering of Reactors (ADDER) Software (V.1.0)

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) software is being developed in the Research and Test Reactor (RTR) Program at Argonne National Laboratory to meet the reactor design and analysis needs of the Conversion Program. ADDER is a flexible tool that (1) provides a depletion capability through coupling external neutronics codes with a built-in CRAM solver or external depletion code and (2) provides a user-friendly interface to perform fuel management and criticality search operations. The ADDER software is a Python 3 application written using modern software development practices subject to a compliant implementation of NQA-1 and applicable Department of Energy software quality assurance standards. This report is the user guide for the initial software release as ADDER v1.0.0. The motivation for a software to have flexible capabilities that ADDER possesses is the need to support a wide variety of geometries that are commonly required in analysis of research and test reactors. These reactors can have complex fuel, experiment, or control material shuffling patterns that persist over several years with many fuel management and partial refueling intervals. The scale of fuel management analysis can require tracking of an inventory that is multiple times the core loading. Many reactors, both power and non-power reactors of various types, will find the features of ADDER useful to facilitate key tasks that a fuel or core design engineer must perform with the convenience of concise input and validated functionality.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

User Guide to the Advanced Dimensional Depletion for Engineering of Reactors (ADDER) Software (V.1.01)

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) software is being developed in the Research and Test Reactor (RTR) Program at Argonne National Laboratory to meet the reactor design and analysis needs of the Conversion Program. ADDER is a flexible tool that (1) provides a depletion capability through coupling external neutronics codes with a built-in CRAM solver or external depletion code and (2) provides a user-friendly interface to perform fuel management and criticality search operations. The ADDER software is a Python 3 application written using modern software development practices subject to a compliant implementation of NQA-1 and applicable Department of Energy software quality assurance standards. This report is the user guide for the software release referred to as ADDER v1.0.1. The motivation for a software to have flexible capabilities that ADDER possesses is the need to support a wide variety of geometries that are commonly required in analysis of research and test reactors. These reactors can have complex fuel, experiment, or control material shuffling patterns that persist over several years with many fuel management and partial refueling intervals. The scale of fuel management analysis can require tracking of an inventory that is multiple times the core loading. Many reactors, both power and non-power reactors of various types, will find the features of ADDER useful to facilitate key tasks that a fuel or core design engineer must perform with the convenience of concise input and validated functionality.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) Software for Depletion and Fuel Management

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) software is being developed in the Research and Test Reactor (RTR) Program at Argonne National Laboratory to meet the reactor design and analysis needs of the Conversion Program. ADDER is a flexible tool that (1) provides a depletion capability through coupling external neutronics codes with a built-in CRAM solver or external depletion code and (2) provides a user-friendly interface to perform fuel management and criticality search operations. The ADDER software is a Python 3 application written using modern software development practices subject to a compliant implementation of NQA-1 and applicable Department of Energy software quality assurance standards. This report is the user guide for the software release referred to as ADDER v1.1.0. The motivation for a software to have flexible capabilities that ADDER possesses is the need to support a wide variety of geometries that are commonly required in analysis of research and test reactors. These reactors can have complex fuel, experiment, or control material shuffling patterns that persist over several years with many fuel management and partial refueling intervals. The scale of fuel management analysis can require tracking of an inventory that is multiple times the core loading. Many reactors, both power and non-power reactors of various types, will find the features of ADDER useful to facilitate key tasks that a fuel or core design engineer must perform with the convenience of concise input and validated functionality.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) Software for Depletion and Fuel Management

The Advanced Dimensional Depletion for Engineering of Reactors (ADDER) software is being developed in the Research and Test Reactor (RTR) Program at Argonne National Laboratory to meet the reactor design and analysis needs of the Conversion Program. ADDER is a flexible tool that (1) provides a depletion capability through coupling external neutronics codes with a built-in CRAM solver or external depletion code and (2) provides a user-friendly interface to perform fuel management and criticality search operations. The ADDER software is a Python 3 application written using modern software development practices subject to a compliant implementation of NQA-1 and applicable Department of Energy software quality assurance standards. This report is the user guide for the software release referred to as ADDER v1.1.0. The motivation for a software to have flexible capabilities that ADDER possesses is the need to support a wide variety of geometries that are commonly required in analysis of research and test reactors. These reactors can have complex fuel, experiment, or control material shuffling patterns that persist over several years with many fuel management and partial refueling intervals. The scale of fuel management analysis can require tracking of an inventory that is multiple times the core loading. Many reactors, both power and non-power reactors of various types, will find the features of ADDER useful to facilitate key tasks that a fuel or core design engineer must perform with the convenience of concise input and validated functionality.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Galen View

This is software lets one explore the data released as part of the COVID-19 Open Research Dataset Challenge. It downloads and analyzes the natural language text of the data set and then creates a 2D visualization that can be used to explore it. SAND2020-12185 M 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.

Bauer, Travis↗
DOE OSTI2017

EnergyPlus™ [SWR-17-23]

Originally developed in 1999, an updated version 8.8.0 with bug fixes was released on September 30th, 2017. EnergyPlus™ is a whole building energy simulation program that engineers, architects, and researchers use to model both energy consumption—for heating, cooling, ventilation, lighting and plug and process loads—and water use in buildings. EnergyPlus is a console-based program that reads input and writes output to text files. It ships with a number of utilities including IDF-Editor for creating input files using a simple spreadsheet-like interface, EP-Launch for managing input and output files and performing batch simulations, and EP-Compare for graphically comparing the results of two or more simulations. Several comprehensive graphical interfaces for EnergyPlus are also available. DOE does most of its work with EnergyPlus using the OpenStudio® software development kit and suite of applications. DOE releases major updates to EnergyPlus twice annually.

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