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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

BioSTEAMDevelopmentGroup/thermosteam

BioSTEAM is a fast and flexible package for the design, simulation, and techno-economic analysis of biorefineries under uncertainty. BioSTEAM’s framework is built to streamline and automate early-stage technology evaluations and to enable rigorous sensitivity and uncertainty analyses. Complete biorefinery configurations are available at the Bioindustrial-Park GitHub repository, BioSTEAM’s premier repository for biorefinery models and results. The long-term growth and maintenance of BioSTEAM is supported through both community-led development and the research institutions invested in BioSTEAM. Through the open-source and community-lead platform, BioSTEAM aims to foster communication and transparency within the biorefinery research community for an integrated effort to expedite the evaluation of candidate biofuels and bioproducts. Additionally, an agile life cycle assessment (LCA) platform has been designed to interface with BioSTEAM, BioSTEAM-LCA. This open-source, installable package allows users to perform streamlined LCAs of biorefineries. The focus of BioSTEAM-LCA is to streamline and automate early-stage environmental impact analyses of processes and technologies, and to enable rigorous sensitivity and uncertainty analyses linking process design, performance, economics, and environmental impacts. ThermoSTEAM is a standalone thermodynamic engine capable of estimating mixture properties, solving thermodynamic phase equilibria, and modeling stoichiometric reactions. ThermoSTEAM builds upon chemicals, the chemical properties component of the Chemical Engineering Design Library, with a robust and flexible framework that facilitates the creation of property packages. The Biorefinery Simulation and Techno-Economic Analysis Modules (BioSTEAM) is dependent on ThermoSTEAM for the simulation of unit operations.

Cortes-Peña, Yoel↗
DOE OSTI2016

Draco,Version 6.x.x

Draco is an object-oriented component library geared towards numerically intensive, radiation (particle) transport applications built for parallel computing hardware. It consists of semi-independent packages and a robust build system. The packages in Draco provide a set of components that can be used by multiple clients to build transport codes. The build system can also be extracted for use in clients. Software includes smart pointers, Design-by-Contract assertions, unit test framework, wrapped MPI functions, a file parser, unstructured mesh data structures, a random number generator, root finders and an angular quadrature component.

Thompson, Kelly↗
DOE OSTI2016

Draco,Version 6.x.x

Draco is an object-oriented component library geared towards numerically intensive, radiation (particle) transport applications built for parallel computing hardware. It consists of semi-independent packages and a robust build system. The packages in Draco provide a set of components that can be used by multiple clients to build transport codes. The build system can also be extracted for use in clients. Software includes smart pointers, Design-by-Contract assertions, unit test framework, wrapped MPI functions, a file parser, unstructured mesh data structures, a random number generator, root finders and an angular quadrature component.

Thompson, Kelly↗
DOE OSTI2019

Building and exploring libraries of atomic defects in graphene: Scanning transmission electron and scanning tunneling microscopy study

The presence and configurations of defects are primary components determining materials functionality. Their population and distribution are often nonergodic and dependent on synthesis history, and therefore rarely amenable to direct theoretical prediction. Here, dynamic electron beam–induced transformations in Si deposited on a graphene monolayer are used to create libraries of possible Si and carbon vacancy defects. Deep learning networks are developed for automated image analysis and recognition of the defects, creating a library of (meta) stable defect configurations. Density functional theory is used to estimate atomically resolved scanning tunneling microscopy (STM) signatures of the classified defects from the created library, allowing identification of several defect types across imaging platforms. This approach allows automatic creation of defect libraries in solids, exploring the metastable configurations always present in real materials, and correlative studies with other atomically resolved techniques, providing comprehensive insight into defect functionalities.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Equation-based object-oriented modeling and simulation of data center cooling systems

In this paper, we introduce a newly developed open source data center package in the Modelica Buildings library to support modeling and simulation of cooling and control systems of data centers. The data center package contains major thermal and control component models, such as Computer Room Air Handler, Computer Room Air Conditioner, models of different subsystem configurations such as chillers with differently configured waterside economizers, as well as templates for different systems. Two case studies based on this package are performed to investigate the performances of the cooling and electrical system under normal conditions and emergency situations such as a blackout: one is for a data center powered by conventional energy, and the other is for a data center powered by renewable energy. Simulation results show that the dynamic modeling and multi-domain simulation in the Modelica-based tool make it convenient for users to investigate both normal and emergent operations for conventional and renewable data centers.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2016

Collision of Physics and Software in the Monte Carlo Application Toolkit (MCATK)

The topic is presented in a series of slides organized as follows: MCATK overview, development strategy, available algorithms, problem modeling (sources, geometry, data, tallies), parallelism, miscellaneous tools/features, example MCATK application, recent areas of research, and summary and future work. MCATK is a C++ component-based Monte Carlo neutron-gamma transport software library with continuous energy neutron and photon transport. Designed to build specialized applications and to provide new functionality in existing general-purpose Monte Carlo codes like MCNP, it reads ACE formatted nuclear data generated by NJOY. The motivation behind MCATK was to reduce costs. MCATK physics involves continuous energy neutron & gamma transport with multi-temperature treatment, static eigenvalue (k eff and α) algorithms, time-dependent algorithm, and fission chain algorithms. MCATK geometry includes mesh geometries and solid body geometries. MCATK provides verified, unit-test Monte Carlo components, flexibility in Monte Carlo application development, and numerous tools such as geometry and cross section plotters.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Polyglot Framework

Polyglot utilizes a combination of custom and open source tools and libraries to provide developers with a consistent environment for building tools, etc. for a wide variety of targets with minimal changes to the code being built. It supports a variety of architectures and operating systems/firmware in as target-agnostic way as possible. This allows for developers to minimize the amount of time/effort required to port tools—in particular, forensic tools—to a wide variety of targets. The project is comprised of two main components: a frontend toolchain that understands how to utilize other tools in order to build code for a specific target, and a minimalistic C library specific to Polyglot. These collectively provide the method to build code for a specific target, and the capability for code to interact with the underlying operating system when run on the target. Both components are written in a way to minimize the amount of target-specific knowledge required to both develop and utilize the project.

Huddleston, TimothyA.↗
DOE OSTI2023

Low-order aquifer thermal energy storage model for geothermal system simulation

This paper presents a low-order aquifer thermal energy storage (ATES) model for simulation of combined subsurface and above-surface energy systems. The model is included in the Modelica IBPSA Library, which is a free open-source library with basic models for building and district energy and control systems. The model uses a lumped-component method, in which the transient conductive-convective heat and mass transfer equation is radially discretized. To verify the accuracy of the model, we present an inter-model comparison from a simulation test suite. Results show that the Modelica ATES model is in good agreement, with a normalized mean bias error for yearly variation of aquifer temperatures of 1.6×10−2 and 9×10−5 at 1 m and 10 m distance from the well.

Maccarini, Alessandro↗
DOE OSTI2020

Transient Efficiency Flexibility and Reliability Optimization of Coal-Fired Power Plants (Reduced Order Model Development Report)

This document pertains to the reporting requirements of DOE contract FE-0031767. The document covers the development of a reduced order model library that can be used to represent coal-fired power plants. The models are transient and physics-based. Model classes in the library that correspond to different components in CFPPs are presented with physical explanations and representative results. Also, the use of the library to build an overall model for a representative CFPP is presented along with simulation results.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Ratpac-Two v1.0.0

Geant-4 based detector simulations in c++ which combines simulation and analysis into a single framework to precisely model detector components and analyze experimental data. Ratpac allows the user to easily build new detector geometries and configurations through both the source library and through configurable text files at runtime.

Askins, Morgan↗
DOE OSTI2016

VERA 3.5 Installation Guide

This guide describes the structure and setup of the standard VERA development environment (VERA Dev Env) and standard VERA Third Party Libraries (TPLs) that need to be in place before installing many of the VERA simulation components. It describes everything from the initial setup on a new machine to the final build, testing, and installation of VERA components. The goal of this document is to describe how to create the directories and contents outlined in Standard VERA Dev Env Directory Structure and then obtain the remaining VERA source and build, test, and install any of the necessary VERA components on a given system. This document describes the process both for a development version of VERA and for a released tarball of the VERA sources.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Summarizing the interoperabilities between xSDK members

Rapid, efficient production of high-quality, sustainable extreme-scale scientific applications is best accomplished using a rich ecosystem of state-of-the art reusable libraries, tools, lightweight frameworks, and defined software methodologies, developed by a community of scientists who are striving to identify, adapt, and adopt best practices in software engineering. The vision of the xSDK is to provide infrastructure for and interoperability of a collection of related and complementary software elements — developed by diverse, independent teams throughout the high-performance computing (HPC) community — that provide the building blocks, tools, models, processes, and related artifacts for rapid and efficient development of high-quality applications. A primary component, and challenge, of the xSDK is to improve interoperability among software libraries and domain components. This document summarizes the current and planned interoperabilities of the twenty-three xSDK member packages as of March 2021. Additionally, the status of the xSDK example codes that demonstrate and test the interoperabilities within the xSDK is provided.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Developing Decommissioning Cost Estimating Relationships and the Decommissioning Estimate Analysis Library Estimating System - 20423

DOE-EM's Consolidated Business Center (EM-CBC) Office of Cost Estimating has developed a system of Decommissioning Cost Estimating Relationships (CERs) and Models to improve the reliability and efficiency of its estimates. The development builds on the multi-year process of collecting and organizing historical cost data from DOEEMs decommissioning projects and estimate model development to support project and program-level decommissioning estimates. The latest work has extended these models down to project scope element and component building area levels, allowing the actual costs of work for these estimate components to be assembled into estimates that reflect specific projects. The CERs have been incorporated into two estimator-friendly products - as cost libraries in the MII estimating program and as an MS Excel-based model, and are available for DOE federal staff use. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

SHAD: the Scalable High-performance Algorithms and Data-structures Library

The unprecedented amount of data that needs to be processed in emerging data analytics applications poses novel challenges to industry and academia. Scalability and high performance become more than a desirable feature because, due to the scale and the nature of the problems, they draw the line between what is achievable and what is unfeasible. In this paper, we propose SHAD, the Scalable High-performance Algorithms and Data-structures library. SHAD adopts a modular design that confines low level details and promotes reuse. SHAD's core is built on an Abstract Runtime Interface which enhances portability and identifies the minimal set of features of the underlying system required by the framework. The core library includes common data-structures such as: Array, Vector, Map and Set. These are designed to accommodate significant amount of data which can be accessed in massively parallel environments, and used as building blocks for SHAD extensions, i.e. higher level software libraries. We have validated and evaluated our design with a performance and scalability study of the core components of the library. We have validated the design flexibility by proposing a Graph Library as an example of SHAD extension, which implements two different graph data-structures; we evaluate their performance with a set of graph applications. Experimental results show that the approach is promising in terms of both performance and scalability. On a distributed system with 320 cores, SHAD Arrays are able to sustain a throughput of 65 billion operations per second, while SHAD Maps sustain 1 billion of operations per second. Algorithms implemented using the Graph Library exhibit performance and scalability comparable to a custom solution, but with smaller development effort.

Castellana, Vito G.↗
DOE OSTI2020

OpenACC Profiling Support for Clang and LLVM using Clacc and TAU

Since its launch in 2010, OpenACC has evolved into one of the most widely used portable programming models for accelerators on HPC systems today. Clacc is a project funded by the US Exascale Computing Project (ECP) to bring OpenACC support for C and C++ to the popular Clang and LLVM compiler infrastructure. In this paper, we describe Clacc's support for the OpenACC Profiling Interface, a critical component of the OpenACC specification that standardizes an interface that profiling tools and libraries can depend upon across OpenACC implementations. As part of Clacc's general strategy to build OpenACC support upon OpenMP, we describe how Clacc builds OpenACC Profiling Interface support upon an extended version of OMPT. We then describe how a major profiling and tracing toolkit within ECP, the TAU Performance System, takes advantage of this support. We also describe TAU's selective instrumentation support for OpenACC. Finally, using Clacc and TAU, we present example visualizations for several SPEC ACCEL OpenACC benchmarks running on an IBM AC922 node, and we show that the associated performance overhead is negligible.

Coti, Camille↗
DOE OSTI2018

sympl (v. 0.4.0) and climt (v. 0.15.3) – towards a flexible framework for building model hierarchies in Python

sympl (System for Modelling Planets) andclimt (Climate Modelling and Diagnostics Toolkit) are anattempt to rethink climate modelling frameworks from the ground up. The aimis to use expressive data structures available in the scientific Pythonecosystem along with best practices in software design to allow scientists toeasily and reliably combine model components to represent the climate systemat a desired level of complexity and to enable users to fully understandwhat the model is doing. sympl is a framework which formulates the model in terms of astate that gets evolved forward in time or modified within a specifictime by well-defined components. sympl's design facilitates buildingmodels that are self-documenting, are highly interoperable, and providefine-grained control over model components and behaviour. symplcomponents contain all relevant information about the input they expect andoutput that they provide. Components are designed to be easily interchanged,even when they rely on different units or array configurations.sympl provides basic functions and objects which could be used inany type of Earth system model. climt is an Earth system modelling toolkit that contains scientificcomponents built using sympl base objects. These include both purePython components and wrapped Fortran libraries. climt providesfunctionality requiring model-specific assumptions, such as stateinitialization and grid configuration. climt's programming interfacedesigned to be easy to use and thus appealing to a wide audience. Model building, configuration and execution are performed through a Pythonscript (or Jupyter Notebook), enabling researchers to build an end-to-endPython-based pipeline along with popular Python data analysis andvisualization tools.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Bedrock v1.0

Bedrock is a code set of firmware libraries written in Verilog used by LBNL for accelerator controls and other applications. A set of commonly used building blocks in DSP (Digital Signal Processing) are present such as a CORDIC implementation, CIC filters, etc. Other useful functions include an in-fabric Ethernet core implementation to communicate with FPGAs over the network and support drivers for components such as ADCs and DACs we have used in our designs. The code base is intended to serve as a support library for HDL designs.

Doolittle, Lawrence↗