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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Updated System-Availability and Resource-Allocation Program

A second version of the Availability, Cost and Resource Allocation (ACARA) computer program has become available. The first version was reported in an earlier tech brief. To recapitulate: ACARA analyzes the availability, mean-time-between-failures of components, life-cycle costs, and scheduling of resources of a complex system of equipment. ACARA uses a statistical Monte Carlo method to simulate the failure and repair of components while complying with user-specified constraints on spare parts and resources. ACARA evaluates the performance of the system on the basis of a mathematical model developed from a block-diagram representation. The previous version utilized the MS-DOS operating system and could not be run by use of the most recent versions of the Windows operating system. The current version incorporates the algorithms of the previous version but is compatible with Windows and utilizes menus and a file-management approach typical of Windows-based software.

Viterna, Larry↗
DOE OSTI2022

$\mathrm{CROPSR}$: an automated platform for complex genome-wide $\mathrm{CRISPR}$ g$\mathrm{RNA}$ design and validation

CRISPR/Cas9 technology has become an important tool to generate targeted, highly specific genome mutations. The technology has great potential for crop improvement, as crop genomes are tailored to optimize specific traits over generations of breeding. Many crops have highly complex and polyploid genomes, particularly those used for bioenergy or bioproducts. The majority of tools currently available for designing and evaluating gRNAs for CRISPR experiments were developed based on mammalian genomes that do not share the characteristics or design criteria for crop genomes. We have developed an open source tool for genome-wide design and evaluation of gRNA sequences for CRISPR experiments, CROPSR. The genome-wide approach provides a significant decrease in the time required to design a CRISPR experiment, including validation through PCR, at the expense of an overhead compute time required once per genome, at the first run. To better cater to the needs of crop geneticists, restrictions imposed by other packages on design and evaluation of gRNA sequences were lifted. A new machine learning model was developed to provide scores while avoiding situations in which the currently available tools sometimes failed to provide guides for repetitive, A/T-rich genomic regions. We show that our gRNA scoring model provides a significant increase in prediction accuracy over existing tools, even in non-crop genomes. CROPSR provides the scientific community with new methods and a new workflow for performing CRISPR/Cas9 knockout experiments. CROPSR reduces the challenges of working in crops, and helps speed gRNA sequence design, evaluation and validation. We hope that the new software will accelerate discovery and reduce the number of failed experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

VADER: A Tool for Criticality Safety Validation

The purpose of criticality safety is to prevent any inadvertent criticality from occurring during the handling or storage of fissile material. Calculations are frequently used to demonstrate that a sufficient subcritical margin exists. Validation is a key aspect of the evaluation process, establishing the suitability, accuracy, and associated uncertainty of the computational method and data to be used for the intended application. The validation process is performed by comparing the results of critical experiments with the calculated results from models of the experiments using the computational method to be validated. Laboratory critical experiments are controlled systems that achieve a k eff of approximately 1 in order to investigate the parameters at which such a critical condition is achieved. The validation parameters that are traditionally applied to safety analysis calculations are the bias and the bias uncertainty . The bias is the deviation of the average k eff of the validation suite from unity. The bias uncertainty accounts for the statistical uncertainty in the bias based on the standard deviation, sample size, and distribution of k eff values of the validation suite. The values of bias and bias uncertainty ensure that the systems predicted to be subcritical by the computational method will indeed be subcritical. The bias and bias uncertainty are often combined to determine an upper subcritical limit (USL) or computational margin that can then be applied to safety analysis calculations. Many methods have been developed by different organizations to calculate the bias and bias uncertainty for various types of criticality analyses. Each of these methods typically requires that the validity of various underpinning statistical assumptions be confirmed to demonstrate that the method is appropriate for the analysis of a given validation suite. An example of the validation decision making flow is shown in Fig.1. As shown in Fig. 1, the analyst performing the validation fits a trend line to the data and performs a test to determine if the trend was a statistically better representation of the data than if it were treated as an uncorrelated sample. If the trend line is a better representation of the data, then the analyst uses any one of a number of trending techniques to determine the bias and bias uncertainty. If a trend is not an appropriate representation of the data, then the analyst proceeds to perform a normality assessment for the data. If the normal assumption can be shown to be acceptable, then the analyst calculates the bias and bias uncertainty with the parametric technique. If the assumption of normality cannot be justified, then the nonparametric technique is used. Once the decision flow has been followed and the appropriate technique has been selected, the bias and bias uncertainty is typically combined with an administrative margin to determine a USL below which calculated values of k eff for safety analysis models can be considered subcritical. The calculations used in each decision are often performed with spreadsheets or with small programs available at various sites performing criticality analyses. Expertise in understanding and interpreting the results must be maintained to perform these calculations. This can often be an error-prone process. Oak Ridge National Laboratory (ORNL) is currently developing the Validation and Data Evaluation Resource (VADER) to simplify and automate the criticality safety validation process and to provide a software quality assurance pedigree to the calculational methods used. This paper discusses the use of the Fulcrum user interface with VADER, the anticipated initial capabilities of VADER to perform validation analyses, and the output from the code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Transient cycling of nitrogen, organic carbon and oxygen within the free-flowing Columbia River corridor: Linking exposure time dependent biogeochemical reactions to river stage fluctuations (Final project report)

The objective of this project was to develop next-generation techniques for representing the transformations of complex reaction networks like those impacting transient river-corridors, then apply them to develop upscaling tools. The project contributed significantly to the development of Lagrangian “mass transfer particle tracking” (MTPT) tools that are the first numerical framework that explicitly separates mixing and spreading processes; a crucial distinction for accurate representations of reaction rates across scales. The MTPT approach uses an operator splitting scheme where physical transport processes are simulated using classical random walk methods and each particle is treated as a “container” that carries with it any number of chemical species. Mixing between particles is simulated using a colocation-probability based mass transfer kernel and reactions are evaluated on each particle after mixing. The method is stable, accurate, and also allows the explicit modeling of residence time distributions of the individual containers of mass. The MTPT scheme allowed us to explore several research questions related to reactive transport in river corridors and complex reaction networks. We found that it is possible to quantify the exposure time distributions (ETDs) of reactants and that this does suggest some pathways to upscaling. However, comparable approximations can be obtained using simplified (reduced dimensionality) MTPT simulations in less time with similar uncertainty, so development of extensive ETD-based methods was not productive. The major findings are that i) the MTPT schemes are robust and highly accurate across a range of arbitrarily complex reactions, ii) the methods can be efficiently parallelized and the parallel performance characteristics of MTPT are predictable, and iii) the MTPT tools allow simultaneous tracking of residence time. The development of these research tools into efficient software packages continues. The methods are already available to the community because open-source, working examples have been included with all publications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Enhancing occupant behavior representation for interoperability between building information modeling and building energy modeling

Building Performance Simulation (BPS) has been adopted as an essential tool for designing, operating, and retrofitting buildings to optimize energy efficiency throughout the building life cycle. The Green Building XML (gbXML) schema facilitates seamless data exchange between Building Information Modeling (BIM) and Building Energy Modeling (BEM) software tools. However, limited occupant behavior (OB) representation in BIM often leads to inconsistent and inaccurate energy simulation in BEM software. This paper presents 154 systematic enhancements to the existing occupant behavior XML (obXML) schema v1.3.4, initially developed for standardizing OB representation for BEM, to address existing limitations and improve interoperability with BIM models. The enhancements encompass improved integration with BIM models through extended building representations and system operations, expanded support for advanced OB models with additional environmental parameters and mathematical capabilities, and implementation of a standardized model documentation framework. To facilitate seamless data transformation between gbXML and obXML schemas, we developed a publicly available gb-obXML Schema Converter. Three case studies demonstrate the enhanced schema’s capabilities: representation of building information using a two-story office building model, documentation of a window operation behavior model, and validation of the schema converter’s functionality. The enhanced obXML schema v1.4 enables sophisticated modeling of occupant-building interactions while maintaining consistency with industry-standard BIM schemas. The standardized documentation framework facilitates reproducibility and knowledge sharing in the OB research community, while the schema converter automates the integration of building information into OB simulation workflows. These enhancements establish a foundation for more accurate building performance simulation by supporting sophisticated representation of occupant behavior within the BIM-to-BEM simulation workflows.

Chung, Jihoon↗
DOE OSTI2022

Market Research Study: Applications of ASCR HPC Software

The Department of Energy (DOE)’s Advanced Scientific Computing Research (ASCR) program has developed hundreds of software tools for high performance computing (HPC). Although many HPC hardware advances have permeated the market, such as CPUs, GPUs, TPUs and ASICs, the software developed by DOE for different HPC applications has not necessarily been mined. The DOE is interested in making its HPC software portfolio available to the public in order to maximize the value of what has been developed.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2006

A Mathematical Model to Predict and Maintain the Neutral Buoyancy of Suited Astronauts

A previous study reported that inadequate weigh outs of suited subjects contribute to fatigue and the risk of injury during training in the Neutral Buoyancy Laboratory (NBL). Another study suggested that shoulder injuries observed in suited subjects who train in the NBL may be attributed to excessive righting moments caused by a non-optimal weigh out. The purpose of this study was to develop a mathematical model to predict and maintain the neutral buoyancy of suited subjects during training operations at the NBL. Due to time constraints, one certified NBL support diver served as a subject (height: 66.54 in; weight: 182 lbs) for this study and only one complete test was conducted. The study was divided into two runs for which the first run required the NBL divers to perform a weigh out similar to a suited astronaut on a scuba diver wearing a mock Portable Life Support System and a Displays and Control Module. For the second run, the same subject and equipment were weighed out according to the mathematical model. The objective of each run was to achieve a neutrally buoyant subject floating 450 to the pool floor. Motion data was collected using two underwater cameras and analyzed using Dartfish video analysis software while force and moment data were recorded using an AMTI force plate. The results from the NBL divers visual run indicate that the subject was floating at an angle of 29.50 while the resultant force and moment data were 1.139 lb and 1.125 ft-lb respectively. The mathematical model s weigh out resulted in the subject floating at an angle of 37.40 and a resultant force of 0.765 lb and resultant moment of 1.248 ft-lb. The mathematical model was better able to orient the subject and reduce resultant moment and force as compared to the NBL divers.

Clowers, Kurt↗
DOE OSTI2022

The Ghost of Performance Reproducibility Past

The importance of ensemble computing is well established. However, executing ensembles at scale introduces interesting performance fluctuations that have not been well investigated. In this paper, we trace our experience uncovering performance fluctuations of ensemble applications (primarily constituting a workflow of GROMACS tasks), and unsuccessful attempts, so far, at trying to discern the underlying cause(s) of performance fluctuations. Is the failure to discern the causative or contributing factors a failure of capability? Or imagination? Do the fluctuations have their genesis in some inscrutable aspect of the system or software? Does it warrant a fundamental reassessment and rethinking of how we assume and conceptualize performance reproducibility? Answers to these questions are not straightforward, nor are they immediate or obvious. We conclude with a discussion about the performance of ensemble applications and ruminate over the implications for how we define and measure application performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Evaluation of the Barracuda Software Package for Simulating Bubble Motion in Vibrating Liquid-Filled Containers

The commercial software package Barracuda, developed by CPFD Software for simulating particle-laden fluid flows, is evaluated as a means to simulate the motion of bubbles in vibrating liquid-filled containers. Demonstration simulations of bubbles rising due to buoyancy forces in a cylinder filled with silicone oil and angled at 0, 30, 45, and 60 degrees from the vertical were performed by CPFD Software. The results of these simulations are discussed, and the capabilities of Barracuda for simulating bubble motion are assessed. It was determined that at present Barracuda does not meet the needs of the desired application. Further developments that would enable its use for this application are highlighted.

42 ENGINEERING↗
DOE OSTI2021

Blockchain-Enabled Cyber-Secure Microgrid Control Using Consensus Algorithm

This paper proposes a distributed control method based on a consensus algorithm for distributed energy resources (DERs) using blockchain as a secure communication medium for cyber resilience. Each DER communicates with a local blockchain server that is maintained by the distributed ledger technology to allow for securely sharing local measurements among neighbouring assets to achieve the global control objectives, i.e., voltage and frequency regulation as well as accurate power sharing among the DERs, including collective grid-forming capability. To prove that the distributed control can retain system stability under a blockchain-induced variable communication delay, Lyapunov function-based stability analysis is carried out. This paper demonstrates the concept on an 11-bus test case developed in MATLAB Simulink, which has been modified from the IEEE 9-bus test case, to study dynamic operations of the five inverter-based DERs working with a blockchain-induced variable delay. The results validate the superior performance of the proposed control method, compared to heavily compromised operations of the other test cases without the security measure, affected by heavy communication delays and communication interruptions.

blockchains↗
DOE OSTI2023

Initial OpenStudio Profiling Results

OpenStudio’s performance has not historically been an area of much work, but as it has successfully replaced ad hoc model generation solutions, the performance of the software is more and more central to continuing success. This report describes an initial effort to profile OpenStudio, describes the problems encountered, the solutions to those problems, and some early recommendations for further work should funding become available. The approach taken here is to use special software, referred to as profilers, to assess the code and how it executes. This approach is more appropriate for this kind of software than the checkpoint-style timing that is often done with numerical codes. Profiling was most successful on the MacOS platform, where Apple’s Instruments software was able to decipher the complexities of OpenStudio’s command line execution of a workflow. Even with the limited exploration of performance done here, the team quickly ran into limitations imposed on the code by the stateless architecture, and the team recommends an evaluation of this architecture as a good next step to improve performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

ExaCA v2.0: A versatile, scalable, and performance portable cellular automata application for additive manufacturing solidification

The previously established ExaCA software for performance portable alloy grain structure simulation has been updated to better represent the solidification behavior during complex alloy processing conditions, such as those encountered during metal additive manufacturing (AM), and for improved performance and scalability. Here, an extension to the time–temperature history input data format and the core ExaCA algorithm to include an arbitrary number of melting and solidification events yielded improved prediction of texture for various melt pool geometries, expanding the range of AM-relevant conditions that can be accurately simulated. Improved heat transport process simulation coupling, including the creation of large raster datasets from single track time–temperature history data and in-memory coupling with the new, performance portable finite difference code Finch, were also demonstrated in example studies on the effect of multilayer AM microstructure predictions on hatch spacing and cell size, respectively. Additional new features are detailed and demonstrated, including the ability to perform simulations using various interfacial response function forms, execute simulations on state-of-the-art hardware, improved usability through post-processing versatility, and improved strong and weak scaling performance. The performance, physics, and versatility improvements demonstrated here will further enable large-scale studies on AM process–microstructure relationships that were not previously possible. Furthermore, the usability improvements and ability to run coupled AM process–microstructure simulations using the Finch-ExaCA workflow will facilitate broader use of this open-source software by the computational materials community.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Software Verification and Validation Guidelines for Non-Linear Soil-Structure Interaction Analysis

Seismic analysis of structures, systems, and components (SSCs), including the consideration of soil-structure interaction (SSI) effects, is an important and required step in the design and licensing of nuclear power plant SSCs important to safety. Historically, the SSI analysis of nuclear structures has been performed using equivalent linear methods. However, there has been considerable industry investment in alternative seismic design and analysis approaches to reduce the construction cost of new reactors. Toward that goal and in alignment with the Licensing Modernization Project (LMP) framework, the Nuclear Regulatory Commission (US NRC) has proposed a risk-informed, performance-based approach to seismic design that allows inelastic response in those nuclear plant structures not required for confinement. As a complementary effort, reactor designers are exploring nonlinear seismic analysis methods to optimize structural designs and reduce construction costs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2016

Developing the Next Generation of Science Data System Engineers

At Goddard, engineers and scientists with a range of experience in science data systems are needed to employ new technologies and develop advances in capabilities for supporting new Earth and Space science research. Engineers with extensive experience in science data, software engineering and computer-information architectures are needed to lead and perform these activities. The increasing types and complexity of instrument data and emerging computer technologies coupled with the current shortage of computer engineers with backgrounds in science has led the need to develop a career path for science data systems engineers and architects.The current career path, in which undergraduate students studying various disciplines such as Computer Engineering or Physical Scientist, generally begins with serving on a development team in any of the disciplines where they can work in depth on existing Goddard data systems or serve with a specific NASA science team. There they begin to understand the data, infuse technologies, and begin to know the architectures of science data systems. From here the typical career involves peermentoring, on-the-job training or graduate level studies in analytics, computational science and applied science and mathematics. At the most senior level, engineers become subject matter experts and system architect experts, leading discipline-specific data centers and large software development projects. They are recognized as a subject matter expert in a science domain, they have project management expertise, lead standards efforts and lead international projects. A long career development remains necessary not only because of the breadth of knowledge required across physical sciences and engineering disciplines, but also because of the diversity of instrument data being developed today both by NASA and international partner agencies and because multidiscipline science and practitioner communities expect to have access to all types of observational data.This paper describes an approach to defining career-path guidance for college-bound high school and undergraduate engineering students, junior and senior engineers from various disciplines.

Next Generation of Science↗
DOE OSTI2020

Preliminary design analysis workflow for Division 5 HHA-3200 requirements for graphite core components

This report presents a design analysis workflow for graphite core components and assemblies, based on the design rules of ASME Boiler Pressure and Vessel Code, Section III, Division 5, Article HHA-3000. The workflow contains three stages: developing the design of the graphite core component, modeling the component with the finite element software MOOSE, and assessing if the component passes/fails the criteria of the HHA-3000 design rules. Since the design rules use probabilistic metrics specifically established to evaluate brittle materials, we developed a python library that performs all the statistical calculations necessary for the evaluations of the HHA-3000 criteria.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

System Advisor Model (SAM) and PVWatts

The System Advisor Model (SAM) is a free techno-economic software model that facilitates decision-making for people in the renewable energy industry. PVWatts estimates the energy production of grid-connected photovoltaic energy systems throughout the world. It allows homeowners, small building owners, installers, and manufacturers to easily develop estimates of the performance of potential photovoltaic installations.

energy planning↗
DOE OSTI2026

PowerAnalytics.jl: User-Centric Power Systems Analysis in Julia

The National Laboratory of the Rockies recently released version 1 of PowerAnalytics.jl, an analysis module for the outputs of its popular open-source electrical power systems modeling platform Sienna. It features an extensible framework - based on the flexible selecting of components, the execution of arbitrary metrics on them, and a familiar DataFrames-based output interface with embedded metadata - to process results in the Sienna style while keeping the interface as simple as possible for non-Julia experts. Here, I describe the package and where it fits into the Sienna ecosystem, how I harnessed user-centered design and Julia features to achieve beginner friendliness without sacrificing performance and expressibility, and what lessons might be drawn from the package's design and implementation.

97 MATHEMATICS AND COMPUTING↗