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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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

High-Performance Molecular Dynamics Simulation for Biological and Materials Sciences: Challenges of Performance Portability, Dallas, TX, November 2018.

Highly-optimized parallel molecular dynamics programs have allowed researchers to achieve ground-breaking results in biological and materials sciences. This type of performance has come at the expense of portability: a significant effort is required for performance optimization on each new architecture. Using a metric that emphasizes speedup, we assess key accelerating programming components of four different best-performing molecular dynamics programs - GROMACS, NAMD, LAMMPS and CP2K-- each having a particular scope of application, for contribution to performance and for portability. We use builds with and without these components, tested on HPC systems. We also analyze the code-bases to determine compliance with portability recommendations. We find that for all four programs, the contributions of the non-portable components to speed are essential to the programs' performances; without them we see a reduction in time-to-solution of a magnitude that is insufferable to domain scientists. This characterizes the performance efficiency that must be approached for good performance portability on a programmatic level, suggesting solutions to this difficult problem, which should come from developers, industry and funding institutions, and possibly new research in programming languages.

Computer Science↗
DOE OSTI2015

MO-F-CAMPUS-I-01: A System for Automatically Calculating Organ and Effective Dose for Fluoroscopically-Guided Procedures

Purpose: A system was developed that automatically calculates the organ and effective dose for individual fluoroscopically-guided procedures using a log of the clinical exposure parameters. Methods: We have previously developed a dose tracking system (DTS) to provide a real-time color-coded 3D- mapping of skin dose. This software produces a log file of all geometry and exposure parameters for every x-ray pulse during a procedure. The data in the log files is input into PCXMC, a Monte Carlo program that calculates organ and effective dose for projections and exposure parameters set by the user. We developed a MATLAB program to read data from the log files produced by the DTS and to automatically generate the definition files in the format used by PCXMC. The processing is done at the end of a procedure after all exposures are completed. Since there are thousands of exposure pulses with various parameters for fluoroscopy, DA and DSA and at various projections, the data for exposures with similar parameters is grouped prior to entry into PCXMC to reduce the number of Monte Carlo calculations that need to be performed. Results: The software developed automatically transfers data from the DTS log file to PCXMC and runs the program for each grouping of exposure pulses. When the dose from all exposure events are calculated, the doses for each organ and all effective doses are summed to obtain procedure totals. For a complicated interventional procedure, the calculations can be completed on a PC without manual intervention in less than 30 minutes depending on the level of data grouping. Conclusion: This system allows organ dose to be calculated for individual procedures for every patient without tedious calculations or data entry so that estimates of stochastic risk can be obtained in addition to the deterministic risk estimate provided by the DTS. Partial support from NIH grant R01EB002873 and Toshiba Medical Systems Corp.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Integration of Dynamical System Scaling to RAVEN and Facility Application

As part of the design optimization and model validation effort within the hybrid energy systems program, the research to implement dynamical system scaling (DSS) code to RAVEN is funded under the Integrated Energy System program in collaboration with the Digital Reactor Technology & Development department. The DSS data processing algorithm has been coded within the RAVEN framework along with other metrics and postprocessing models. The implemented code was tested using a gravity-driven draining tank draining case modeled in RELAP5-3D and generated data was successfully postprocessed based on the scaling analyses defined by DSS. Postprocessed data concluded less agreement for the tank exit velocity and indicated that the modeled input deck for RELAP5-3D requires modification to enforce minimal pressure differential effects to the draining process.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

MOOSE-based Tritium Migration Analysis Program, Version 8 (TMAP8) for advanced open-source tritium transport and fuel cycle modeling

Tritium management is critical for the safety, sustainability, and economics of fusion energy systems, and advanced and reliable modeling tools help accelerate the development of tritium technologies. This paper presents the Tritium Migration Analysis Program, Version 8 (TMAP8), an open-source, MOOSE-based application developed to provide state-of-the-art tritium transport and fuel cycle modeling capabilities. TMAP8 aims to expand the capabilities of previous versions (i.e., TMAP4 and TMAP7) by leveraging modern computational techniques, ensuring high software quality assurance standards (key to building trust), and enabling multispecies, multiscale, and multiphysics simulations for integrated tritium transport modeling in complex geometries. This paper outlines TMAP8’s scope and rigorous development practices, emphasizing its transparency, accessibility, modularity, and reliability. We present the current suite of verification and validation cases based on those from TMAP4, demonstrating TMAP8’s accuracy and reliability against analytical solutions and experimental data. Additionally, the paper showcases TMAP8’s integrated fuel cycle modeling capabilities, highlighting its applicability at various scales and levels. The TMAP8 code and documentation are openly available, promoting collaborative development and widespread adoption within the fusion community. Future work will soon expand TMAP8’s verification and validation suite to include those from TMAP7 and other recent experimental studies for validation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Compiler-Directed Soft Error Detection and Recovery to Avoid DUE and SDC via Tail-DMR

This article presents Clover, a compiler-directed soft error detection and recovery scheme for lightweight soft error resilience. The compiler carefully generates soft-error-tolerant code based on idempotent processing without explicit checkpoints. During program execution, Clover relies on a small number of acoustic wave detectors deployed in the processor to identify soft errors by sensing the wave made by a particle strike. To cope with DUEs (detected unrecoverable errors) caused by the sensing latency of error detection, Clover leverages a novel selective instruction duplication technique called tail-DMR (dual modular redundancy) that provides a region-level error containment. Once a soft error is detected by either the sensors or the tail-DMR, Clover takes care of the error as in the case of exception handling. To recover from the error, Clover simply redirects program control to the beginning of the code region where the error is detected. The experimental results demonstrate that the average runtime overhead is only 26%, which is a 75% reduction compared to that of the state-of-the-art soft error resilience technique. In addition, this article evaluates an alternative technique called tail-wait, comparing it to Clover. According to the evaluation with the different processor configurations and the various error detection latencies, Clover turns out to be a superior technique, achieving 1.06 to 3.49× speedup over the tail-wait.

Computer Science↗
DOE OSTI2014

Methodological Aspects of Shielding and Activation Analyses for ITER Diagnostics Systems - Paper 125

It is expected that the diagnostics systems of the ITER tokamak will provide valuable measurement data about the first in its kind D-T fusion plasma with emission of 14 MeV neutrons. These systems must withstand the neutron and secondary photon radiation along the ITER operation. Under the neutron irradiation the ITER materials are getting radioactive and therefore an adequate shielding must be provided along all the time of ITER operation and shut-down for the reliable machine operation and for the safe personnel access to its components, such as the diagnostics ports. These are the prerequisites for the shielding and activation analysis of the ITER diagnostics systems discussed in this paper. This paper provides insight into the current tasks of neutronics support for the development of ITER diagnostics systems. The tasks themselves range from relatively straightforward ones such as Monte Carlo radiation transport calculations for shielding analyses of the diagnostics systems, to more advanced tasks of Shut-Down Dose Rate (SDDR) analyses for which the dedicated Rigorous 2-Step mesh-based (R2Smesh) and Direct 1-Step (D1S) methodologies were applied. The accuracy and precision of the ITER neutronics analysis is dependent on the methodological approaches and the implying modeling assumptions. In addition to the SDDR challenges, another distinguishing feature of fusion neutronics is a wide use of CAD-based neutronics modeling to design components of fusion devices such as ITER and DEMO. Basically, there are two possibilities of CAD geometry settings in Monte Carlo (MC) radiation transport models, either by the geometry format conversion of CAD models into the format of MC models by means of the interface programs such as McCad and MCAM or by the direct use of CAD geometry engine in MC calculations such as it was realized in the DAGMC code approach. Several conversion interfaces and the DAGMC software library have been tested on the 3D ITER model developed for the CAD-MCNP benchmark. It was concluded that the considered approaches have reached the maturity level to allow their application to real ITER design analyses.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2018

Safety Requirement Management System (SRMS) - Improved Documented Safety Analyses Implementation - 18476

Savannah River Remediation (SRR) developed a new software application, Safety Requirement Management System (SRMS), to improve Documented Safety Analysis (DSA) safety requirement implementation in the Savannah River Site's Liquid Waste facilities. Technical Safety Requirement (TSR) Limited Conditions of Operations (LCOs) and related surveillances were previously tracked using four different applications. Due to their differences and their age, the applications introduced a number of operational challenges and vulnerabilities, including outdated platforms, usage demands beyond original design, and different organizational work processes. SRMS was developed to resolve these issues by using a single web-based approach that provides consistency, wider accessibility, simpler maintenance, and a platform for additional functionality. Other SRS facilities are evaluating the application for its applicability as a standard practice across the site. The new SRMS application decreased the administrative overhead for application maintenance, provided the needed TSR change management functionality, and reduced error precursors with the following advantages: - Consistent process/application across all SRR facilities - More efficient way to track and communicate compliance with DSA time-related requirements (i.e., TSR LCOs and surveillances). - Web-based search capability for LCO entries/exits and a record of surveillance performances. - TSR change management and independent reviews through electronic approvals. For example, the application provides the ability to bundle and stage LCO and surveillance changes associated with a TSR revision. The approval process involves multiple roles from the facility to ensure validity. - Formal configuration management program, fully supported by software life cycle documents. SRMS was implemented at Defense Waste Processing Facility (DWPF) in June 2017, with implementation in all Liquid Waste facilities expected by the end of 2017. Next, SRR plans to expand SRMS functionality to include a linking document database (LDD) to support the DSA requirements. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

FAUST - Benchmark and Validation Framework [Slides]

This presentation discusses Python packages for nuclear data applications and for benchmarking. It also discusses the goals and objectives for FAUST which include providing input and output processing for different calculation codes, allowing for exchanging results between different applications and codes, running benchmarks and processing the results, automating and simplify plot and report generation, and providing a basis for developing applications useful for nuclear data evaluators. The presentation also discusses how the packages can be used both inside and outside LANL.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Design of Nuclear Criticality Safety Framework for Hands-on Construction of Fast Systems Over Ranges of Multiplication

Since 1945, Los Alamos National Laboratory (LANL) has performed critical experiments, primarily at the Los Alamos Critical Experiments Facility (LACEF) at Technical Area 18 (TA-18). Since 2011, these experiments have been conducted by the National Criticality Experiments Research Center (NCERC), operated by LANL, at the Device Assembly Facility (DAF) in the Nevada National Security Site (NNSS). These experiments utilize various types of Special Nuclear Material (SNM). Some of these experiments utilize what is referred to as the Rocky Flat Shells, which are called such as they came from the Rocky Flats Plant. These concentric hemi-shells are made of Highly Enriched Uranium (HEU), which is 93 w/o 235U. Fig. 1. Subset of the Rocky Flat Shells LANL is designing a new subcritical hands-on experiment with the goal of achieving a neutron multiplication in the range of 50 to 200, which correlates to Keff values of 0.98 to 0.995. ANSI/ANS-1 is the standard for Conduct of Critical Experiments which governs critical operations at NCERC. Section 3.9 of ANSI/ANS-1 states that when manipulating a critical assembly by hand, the predicted k eff of a known configuration should not exceed 0.95 (a neutron multiplication of 20). This presents a challenge, as this system would have a higher multiplication than 20 and the assembly would have to remain subcritical in normal and credible accident scenarios. To ensure the safety of such an assembly, the different normal and abnormal conditions that could alter the criticality 1 MCNP® and Monte Carlo N-Particle® are registered trademarks owned by Triad National Security, LLC, manager and operator of Los Alamos National Laboratory. Any third party use of such registered marks should be properly of the system must be considered and analyzed. If such a condition is deemed to be credible, it will be further investigated using the Monte Carlo N-Particle (MCNP) transport code. If the results of these simulations show that a k eff larger than one could be possible, modifications to the assembly will be made until such an event is deemed no longer possible.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

Compiler verification meets cross-language linking via data abstraction

Many real programs are written in multiple different programming languages, and supporting this pattern creates challenges for formal compiler verification. We describe our Coq verification of a compiler for a high-level language, such that the compiler correctness theorem allows us to derive partial-correctness Hoare-logic theorems for programs built by linking the assembly code output by our compiler and assembly code produced by other means. Our compiler supports such tricky features as storable cross-language function pointers, without giving up the usual benefits of being able to verify different compiler phases (including, in our case, two classic optimizations) independently. Here, the key technical innovation is a mixed operational and axiomatic semantics for the source language, with a built-in notion of abstract data types, such that compiled code interfaces with other languages only through axiomatically specified methods that mutate encapsulated private data, represented in whatever formats are most natural for those languages.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

VERA BWR progression problems

During the first phase of the Consortium for Advanced Simulation of Light Water Reactors (CASL) program, the Virtual Environment for Reactor Applications (VERA) was developed with a focus on capabilities for high-fidelity, multiphysics simulation of pressurized water reactors (PWRs). During this development effort, a set of progression problems was created ranging from smaller pin cell calculations to larger 3D full-core calculations. These progression problems helped to guide the development of the software and served as benchmarks against which to test VERA. Since 2019, efforts have been made to extend the capabilities of VERA to model boiling water reactors (BWRs). Because BWR simulations come with many unique challenges, a set of BWR progression problems was developed to aid in this new effort. The BWR progression problems range from 2D lattice calculations to 3D mini-core problems, and reference neutronic solutions were computed using continuous-energy Monte Carlo codes. MPACT, one of the neutronics code in VERA, was benchmarked using the BWR progression problems. The code is capable of computing solutions to all problems. The eigenvalues computed by MPACT agree well with the Monte Carlo reference solutions. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2014

Enhancements to the SHARP Build System and NEK5000 Coupling

The SHARP project for the Department of Energy's Nuclear Energy Advanced Modeling and Simulation (NEAMS) program provides a multiphysics framework for coupled simulations of advanced nuclear reactor designs. It provides an overall coupling environment that utilizes custom interfaces to couple existing physics codes through a common spatial decomposition and unique solution transfer component. As of this writing, SHARP couples neutronics, thermal hydraulics, and structural mechanics using PROTEUS, Nek5000, and Diablo respectively. This report details two primary SHARP improvements regarding the Nek5000 and Diablo individual physics codes: (1) an improved Nek5000 coupling interface that lets SHARP achieve a vast increase in overall solution accuracy by manipulating the structure of the internal Nek5000 spatial mesh, and (2) the capability to seamlessly couple structural mechanics calculations into the framework through improvements to the SHARP build system. The Nek5000 coupling interface now uses a barycentric Lagrange interpolation method that takes the vertex-based power and density computed from the PROTEUS neutronics solver and maps it to the user-specified, general-order Nek5000 spectral element mesh. Before this work, SHARP handled this vertex-based solution transfer in an averaging-based manner. SHARP users can now achieve higher levels of accuracy by specifying any arbitrary Nek5000 spectral mesh order. This improvement takes the average percentage error between the PROTEUS power solution and the Nek5000 interpolated result down drastically from over 23 % to just above 2 %, and maintains the correct power profile. We have integrated Diablo into the SHARP build system to facilitate the future coupling of structural mechanics calculations into SHARP. Previously, simulations involving Diablo were done in an iterative manner, requiring a large amount manual work, and left only as a task for advanced users. This report will detail a new Diablo build system that was implemented using GNU Autotools, mirroring much of the current SHARP build system, and easing the use of structural mechanics calculations for end-users of the SHARP multiphysics framework. It lets users easily build and use Diablo as a stand-alone simulation, as well as fully couple with the other SHARP physics modules. The top-level SHARP build system was modified to allow Diablo to hook in directly. New dependency handlers were implemented to let SHARP users easily build the framework with these new simulation capabilities. The remainder of this report will describe this work in full, with a detailed discussion of the overall design philosophy of SHARP, the new solution interpolation method introduced, and the Diablo integration work. We will conclude with a discussion of possible future SHARP improvements that will serve to increase solution accuracy and framework capability.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

SAPHIRE 8 Basics An Introduction to Probabilistic Risk Assessment via the Systems Analysis Program for Hands-On Integrated Reliability Evaluations (SAPHIRE) Software P-201

The SAPHIRE Basics course material is intended to both (1) provide guidance for learning SAPHIRE during the Basics class and (2) become a stand-alone reference document after finishing the class. Thus, the format for the class material is a combination of the traditional “overhead-type” of presentation information with a structured, reference-type document.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Designing Critical Experiments Using Gaussian Process Optimization

New nuclear applications may lack similarity between the application and existing ICSBEP benchmarks. Without accurate benchmark data, predictive simulations will have high uncertainty in the estimate of a parameter of interest (such as k eff ). The design of critical experiments tuned for specific applications of interest is one solution to reducing uncertainty in the necessarily nuclear data. We propose an optimization technique to design critical experiments that match the cross-section sensitivities of an application model while minimizing the number of simulation runs in the optimization. The optimization of a critical experiment is slow because the potential design space covers many qualitative variables (types of material and geometries) and corresponding quantitative variables (e.g., material dimensions) and the evaluation of any specific design requires running an expensive code like MCNP1 and Whisper. The optimization of expensive black-box computer codes with quantitative variables has been extensively explored in the literature of design of computer experiments. We propose a modified version of standard Gaussian process (GP) optimization that optimizes over multiple discrete configurations of qualitative variables in parallel which reduces the computational cost of the entire optimization. The goal of this work is to minimize the number of MCNP evaluations while still exploring many different design configurations in parallel.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Sum-of-Fractions Method

Sum-of-fractions is a method intended to make sure a subcritical margin for aqueous solutions and slurries of fissionable isotopes exists. The method indicates that a system is subcritical if the sum of the ratios of the mass of each isotope (in a mixture) to its individual minimum subcritical mass limit is less than or equal to one. Historically, the basis of the sum-of-fractions has been derived from allowances given in the American National Standards Institute (ANSI)/ American Nuclear Society (ANS)-8.15-1981. However, the allowance was removed in ANSI/ANS-8.15-2014 due to a lack of technical basis. A methodology was developed to assess the validity of using the sum-of-fractions for water- or polyethylene-moderated systems for the following nuclides: 232U, 233U, 234U, 235U, 237Np, 236Pu, 238Pu, 239Pu, 240Pu, 241Pu, 242Pu, 241Am, 242mAm, 243Am, 242Cm, 243Cm, 244Cm, 245Cm, 246Cm, 247Cm, 249Cf, and 251Cf. The methodology uses available benchmark data for mixtures of 233U, 235U, and 239Pu to establish the calculational margin, and a mass limit reduction to establish the margin of subcriticality. Water- or polyethylene-moderated and -reflected mixtures containing the nuclides are evaluated with the code system, SCALE 6.2.4. Including the calculational margin, subcritical mass limits for each nuclide were computed for optimally water- or polyethylene-moderated and fully reflected systems. These masses were used to create nuclide mixtures in which the sum of the mass to subcritical mass limit ratios is one. The various nuclide mixtures were modeled over a range of moderation and demonstrate the keff does not exceed the calculational margin. For additional assurance of subcriticality, a significant mass reduction is applied to each computed minimum critical mass of the nuclides without adequate benchmark data consistent with the method in ANSI/ANS-8.15-2014.

criticality safety, Actinide↗
DOE OSTI2012

2011 Computation Directorate Annual Report [Slides]

From its founding in 1952 until today, Lawrence Livermore National Laboratory (LLNL) has made significant strategic investments to develop high performance computing (HPC) and its application to national security and basic science. Now, 60 years later, the Computation Directorate and its myriad resources and capabilities have become a key enabler for LLNL programs and an integral part of the effort to support our nation's nuclear deterrent and, more broadly, national security. In addition, the technological innovation HPC makes possible is seen as vital to the nation's economic vitality. LLNL, along with other national laboratories, is working to make supercomputing capabilities and expertise available to industry to boost the nation's global competitiveness.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

LABS: Los Alamos Benchmark Suite - Current status and planning [Slides]

The LABS repository now has over 500 verified and revised input files with about 600 input files left to get up to speed with what we currently use. After that there are many, many more to go. We're in the process of building code infrastructure, moving to template output files, automating input file generation, outputting file data mining for calculation results, and benchmarking selection on sensitivity and other benchmark characteristics. We intend to open source LABS. We'll most likely release the input files sooner rather than later. The associated tool will probably be open sourced later.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Implementation of Information Management System for Radiation Safety of Personnel at the Russian Northwest Center for Radioactive Waste Management 'SevRAO' - 13131

The report is an overview of the information-analytical system designed to assure radiation safety of workers. The system was implemented in the Northwest Radioactive Waste Management Center 'SevRAO' (which is a branch of the Federal State Unitary Enterprise 'Radioactive Waste Management Enterprise RosRAO'). The center is located in the Northwest Russia. In respect to 'SevRAO', the Federal Medical-Biological Agency is the regulatory body, which deals with issues of radiation control. The main document to regulate radiation control is 'Reference levels of radiation factors in radioactive wastes management center'. This document contains about 250 parameters. We have developed a software tool to simplify control of these parameters. The software includes: input interface, the database, dose calculating module and analytical block. Input interface is used to enter radiation environment data. Dose calculating module calculates the dose on the route. Analytical block optimizes and analyzes radiation situation maps. Much attention is paid to the GUI and graphical representation of results. The operator can enter the route at the industrial site or watch the fluctuations of the dose rate field on the map. Most of the results are presented in a visual form. Here we present some analytical tasks, such as comparison of the dose rate in some point with control levels at this point, to be solved for the purpose of radiation safety control. The program helps to identify points making the largest contribution to the collective dose of the personnel. The tool can automatically calculate the route with the lowest dose, compare and choose the best route. The program uses several options to visualize the radiation environment at the industrial site. This system will be useful for radiation monitoring services during the operation, planning of works and development of scenarios. The paper presents some applications of this system on real data over three years - from March 2009 to February 2012. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗