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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Estimates of SNL/NM maximum winds and recurrence intervals for use in non-nuclear building design loads

Extreme wind is one environmental aspect used in safe building and structure design. The Department of Energy (DOE) Standard (STD) 1020-2012 includes various building standards adopted by DOE, and guidance necessary to comply with Facility Safety. Recent updates to the American Society of Civil Engineers (ASCE) Standards and International Building Codes (IBC) were used to initiate a review of local maximum wind speeds and verify estimates to be used in new building design. This report summarizes the site specific wind data and techniques used in estimating the maximum wind speeds anticipated at Sandia National Laboratories, New Mexico. The local data suggests site specific increases in wind speed maxima over information documented in past standards and building codes.

42 ENGINEERING↗
DOE OSTI2018

GW100: Comparison of Methods and Accuracy of Results Obtained with the WEST Code

The reproducibility of calculations carried out within many-body perturbation theory at the G(0)W(0) level is assessed for 100 closed shell molecules and compared to that of density functional theory. We consider vertical ionization potentials (VIP) and electron affinities (VEA) obtained with five different codes: BerkeleyGW, FHI-aims, TURBOMOLE, VASP, and WEST. We review the approximations and parameters that control the accuracy of G(0)W(0) results in each code, and we discuss in detail the effect of extrapolation techniques for the parameters entering the WEST code. Differences between the VIP and VEA computed with the various codes are within similar to 60 and similar to 420 meV, respectively, which is up to four times larger than in the case of the best results obtained with DFT codes. Vertical ionization potentials are validated against experiment and CCSD(T) quantum chemistry results showing a mean absolute relative error of similar to 4% for data obtained with WEST. Our analysis of the differences between localized orbitals and plane-wave implementations points out molecules containing Cu, I, Ga, and Xe as major sources of discrepancies, which call for a re-evaluation of the pseudopotentials used for these systems in G(0)W(0) calculations.

Govoni, Marco↗
DOE OSTI2024

RGM: Random Geological Model Generation Package

This Fortran code is to accompany a manuscript to be submitted to Computers & Geosciences, a high-impact, peer-reviewed journal in computer methods for geosciences research. This Fortran code focuses on generation of synthetic geological models using a multi-randomization strategy. Generating high-fidelity synthetic geological models, including realistic seismic reflector migration images, faults, salt bodies, and relative geological time images, is the key for many supervised machine learning methods that aim to delineate faults and other geological properties of interest from seismic migration images. Our package contains two major functionalities: generating 2D synthetic random geological models and generating 3D synthetic random geological models. In each step of the generation process, we set random values for key properties of a geological model to improve the fidelity of the resulting geological model. The package also includes example codes on how to use the random geological model generation subroutines. We name this package RGM – Random Geological Model generation package.

Gao, Kai↗
DOE OSTI2022

Integration Plan for NEAMS Structural Materials and Chemistry MSR Modeling

As part of its broad objective to support advanced reactor development, the US Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has a strong interest in developing simulation capabilities to address chemistry and corrosion issues for molten salt reactors (MSRs). To that end, the Structural Materials & Chemistry (SMC) technical area within the NEAMS program is developing a set of codes and databases to describe the behavior of molten salts and their interactions with structural materials. This document reviews the current activities with respect to MSR-relevant codes and is an effort to improve their integration in simulating MSR systems. Interoperability between the codes being developed is critical for the success of the NEAMS-developed MSR simulation capability. This is greatly facilitated by having codes based on the MOOSE framework when possible, and by developing interfaces to MOOSE-based tools for those tools that are not based on that framework.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

The Plasma Simulation Code: A modern particle-in-cell code with patch-based load-balancing

This work describes the Plasma Simulation Code (psc), an explicit, electromagnetic particle-in-cell code with support for different order particle shape functions. We review the basic components of the particle-in-cell method as well as the computational architecture of the psc code that allows support for modular algorithms and data structure in the code. We then describe and analyze in detail a distinguishing feature of psc: patch-based load balancing using space-filling curves which is shown to lead to major efficiency gains over unbalanced methods and a previously used simpler balancing method.

Computer Science↗
DOE OSTI2012

Idaho National Laboratory Integrated Safety Management System FY 2012 Effectiveness Review and Declaration Report

Idaho National Laboratory (INL) performed an Annual Effectiveness Review of the Integrated Safety Management System (ISMS), per 48 Code of Federal Regulations (CFR) 970.5223 1, “Integration of Environment, Safety and Health into Work Planning and Execution.” The annual review assessed Integrated Safety Management (ISM) effectiveness, provided feedback to maintain system integrity, and identified target areas for focused improvements and assessments for fiscal year (FY) 2013. Results of the FY 2012 annual effectiveness review demonstrated that the INL’s ISMS program was significantly strengthened. Actions implemented by the INL demonstrate that the overall Integrated Safety Management System is sound and ensures safe and successful performance of work while protecting workers, the public, and environment. This report also provides several opportunities for improvement that will help further strengthen the ISM Program and the pursuit of safety excellence. Demonstrated leadership and commitment, continued surveillance, and dedicated resources have been instrumental in maturing a sound ISMS program. Based upon interviews with personnel, reviews of assurance activities, and analysis of ISMS process implementation, this effectiveness review concludes that ISM is institutionalized and is “Effective”.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2013

Idaho National Laboratory Integrated Safety Management System FY 2013 Effectiveness Review and Declaration Report

Idaho National Laboratory (INL) performed an Annual Effectiveness Review of the Integrated Safety Management System (ISMS), per 48 Code of Federal Regulations (CFR) 970.5223 1, “Integration of Environment, Safety and Health into Work Planning and Execution.” The annual review assessed Integrated Safety Management (ISM) effectiveness, provided feedback to maintain system integrity, and identified target areas for focused improvements and assessments for Fiscal Year (FY) 2014. Results of the FY 2013 annual effectiveness review demonstrate that the INL’s ISMS program is “Effective” and continually improving and shows signs of being significantly strengthened. Although there have been unacceptable serious events in the past, there has also been significant attention, dedication, and resources focused on improvement, lessons learned and future prevention. BEA’s strategy of focusing on these improvements includes extensive action and improvement plans that include PLN 4030, “INL Sustained Operational Improvement Plan, PLN 4058, “MFC Strategic Excellence Plan,” PLN 4141, “ATR Sustained Excellence Plan,” and PLN 4145, “Radiological Control Road to Excellence,” and the development of LWP 20000, “Conduct of Research.” As a result of these action plans, coupled with other assurance activities and metrics, significant improvement in operational performance, organizational competence, management oversight and a reduction in the number of operational events is being realized. In short, the realization of the fifth core function of ISMS (feedback and continuous improvement) and the associated benefits are apparent.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2020

Scalable Geometric Modeler for Overlap Detection and Resolution (ASC IC L2 Milestone 7181 FY2020 Final Review)

The final review for the FY20 Advanced Simulation and Computing (ASC) Integrated Codes (IC) L2 Milestone #7181 was conducted on August 31, 2020 at Sandia National Laboratories in Albuquerque, New Mexico. The review panel unanimously agreed that the milestone has been successfully completed. Roshan Quadros (1543) led the milestone team and various members from the team presented the results. The review panel was comprised of staff from Sandia National Laboratories Albuquerque and California that are involved with computational engineering modeling and analysis. The panel consisted of experts in the fields of solid modeling, discretization, meshing, simulation workflows, and computational analysis including personnel Brett Clark (1543, Chair); Jay Foulk (8363); Jackie Moore (1553); Ron Kensek (1341); Ed Hoffman (8753); Dan Ibanez (1443). The presentation documented the technical approach of the team and summarized the results with sufficient detail to demonstrate both the value and the completion of the milestone. A separate SAND report was also generated with more detail to supplement the presentation. The purpose of the milestone was to advance capabilities for automatically finding, displaying, and resolving geometric overlaps in CAD models.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Gap Analysis of Material Properties Data for Ferritic/Martensitic HT-9 Steel

The US Department of Energy (DOE), Office of Nuclear Energy (NE), is supporting the development of an ASME Code Case for adoption of 12Cr-1Mo-VW ferritic/martensitic (F/M) steel, commonly known as HT-9, primarily for use in elevated temperature design of liquid-metal fast reactors (LMFR) and components. In 2011, Los Alamos National Laboratory (LANL) nuclear engineering staff began assisting in the development of a small modular reactor (SMR) design concept, previously known as the Hyperion Module, now called the Gen4 Module. LANL staff immediately proposed HT-9 for the reactor vessel and components, as well as fuel clad and ducting, due to its superior thermal qualities. Although the ASME material Code Case, for adoption of HT-9 as an approved elevated temperature material for LMFR service, is the ultimate goal of this project, there are several key deliverables that must first be successfully accomplished. The most important key deliverable is the research, accumulation, and documentation of specific material parameters; physical, mechanical, and environmental, which becomes the basis for an ASME Code Case. Time-independent tensile and ductility data and time-dependent creep and creep-rupture behavior are some of the material properties required for a successful ASME Code case. Although this report provides a cursory review of the available data, a much more comprehensive study of open-source data would be necessary. This report serves three purposes: (a) provides a list of already existing material data information that could ultimately be made available to the ASME Code, (b) determines the HT-9 material properties data missing from available sources that would be required and (c) estimates the necessary material testing required to close the gap. Ultimately, the gap analysis demonstrates that certain material properties testing will be required to fulfill the necessary information package for an ASME Code Case.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2012

RELAP5-3D Developmental Assessment: Comparison of Versions 4.0.3is and 2.4.2is

Figures have been generated comparing the parameters used in the developmental assessment of the RELAP5-3D code using versions 4.0.3is and 2.4.2is. The figures, which are the same as those used in Volume III of the RELAP5-3D code manual, compare calculations using the semi-implicit solution scheme with available experiment data. These figures provide a quick, visual indication of how the code predictions changed between these two code versions and can be used to identify cases in which the assessment judgment may need to be changed in Volume III of the code manual. Changes to the assessment judgments made after reviewing all of the assessment cases are also provided.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Urban weather modeling using WRF: linking physical assumptions, code implementation, and observational needs

The Weather Research and Forecasting (WRF) model includes urban schemes that simulate the influence of urban surfaces on the atmosphere using parameterizations for flux, and radiative exchanges. Three core schemes – the Bulk urban parameterization, Single-Layer Urban Canopy Model (SLUCM), and Multi-Layer Urban Canopy Model (MLUCM) – represent increasing levels of complexity. Although the parameterizations within these urban schemes are described in the literature, their specific implementation remains poorly documented, thus slowing down model development efforts. This manuscript provides a roadmap to the three urban schemes in WRF version 4.5.2, presenting equations using the same symbols as in the model code, along with references to code lines, and including graphics and explanations that connect the code to its physical foundations. Our thorough review of the urban parameterizations implemented in WRF version 4.5.2 highlighted a handful of parameters that may introduce discontinuities in simulations: (i) in the SLUCM, a 1 mm h −1 rain rate threshold is employed to switch between two minimum moisture availability parameterizations, thus impacting latent heat flux calculations; (ii) in the SLUCM a threshold is used to partition shortwave radiation into direct and diffuse components; (iii) in all three urban schemes, the bulk Richardson number is employed to select the similarity function, which influences the vertical distribution of heat and momentum. We also identified a highly simplified treatment of the radiative balance on roof surfaces. The implications of these simplifications can be assessed through targeted observations across relevant conditions, including varying precipitation rates, cloud cover, and transitions between stability regimes. Furthermore, the widespread application of the Monin-Obukhov similarity theory in these urban schemes warrants model evaluation under highly stable and unstable conditions and in heterogeneous urban settings with variable land cover and building heights on scales finer than model resolution. To address these challenges, we offer guidance on observational strategies, emphasizing the need for multi-parametric measurements to capture potential compensating biases and multi-height measurements that align with the levels where quantities are diagnostic and prognosed in the model (i.e., the lowest atmospheric level of the WRF model). Finally, our inspection of the code revealed implementation bugs that have now been corrected in WRF versions 4.6.0 and 4.6.1. Sensitivity tests over the Atlanta urban area show that these corrections affect surface temperatures, underscoring the importance of performing rigorous documentation and verification of the implementation of parameterizations in model code.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Review of recent experimental and modeling progress in the lower hybrid range of frequencies at ITER relevant parameters

Progress in experiment and simulation capability in the lower hybrid range of frequencies (LHRF) at ITER relevant parameters is reviewed. Use of LH power in reactor devices is motivated in terms of its potential for efficient off-axis current profile control. Recent improvements in simulation capability including the development of full-wave field solvers, inclusion of the scrape off layer (SOL) in wave propagation codes, the use of coupled ray tracing / full-wave / 3D (r v{sub ⊥}, v{sub ∥}) Fokker Planck models, and the inclusion of nonlinear broadening effects in ray tracing / Fokker Planck codes are discussed. Experimental and modeling results are reviewed which are aimed at understanding the spectral gap problem in LH current drive (LHCD) and the density limit that has been observed in LHCD experiments. Physics mechanisms that could be operative in these experiments are discussed, including toroidally induced variations in the parallel wavenumber, nonlinear broadening of the pump wave, scattering of LH waves from density fluctuations in the SOL, and spectral broadening at the plasma edge via full-wave effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Review of recent experimental and modeling progress in the lower hybrid range of frequencies at ITER relevant parameters

Progress in experiment and simulation capability in the lower hybrid range of frequencies at ITER relevant parameters is reviewed. Use of LH power in reactor devices is motivated in terms of its potential for efficient off-axis current profile control. Recent improvements in simulation capability including the development of full-wave field solvers, inclusion of the scrape off layer (SOL) in wave propagation codes, the use of coupled ray tracing/full-wave/3D (r v{sub ⊥}, v{sub //}) Fokker Planck models, and the inclusion of wave scattering as well as nonlinear broadening effects in ray tracing / Fokker Planck codes are discussed. Experimental and modeling results are reviewed which are aimed at understanding the spectral gap problem in LH current drive (LHCD) and the density limit that has been observed and mitigated in LHCD experiments. Physics mechanisms that could be operative in these experiments are discussed, including toroidally induced variations in the parallel wavenumber, nonlinear broadening of the pump wave, scattering of LH waves from density fluctuations in the SOL, and spectral broadening at the plasma edge via full-wave effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

2p x-ray absorption spectroscopy of 3d transition metal systems

This review provides an overview of the different methods and computer codes that are used to interpret 2p x-ray absorption spectra of 3d transition metal ions. We first introduce the basic parameters and give an overview of the methods used. We start with the semi-empirical multiplet codes and compare the different codes that are available. A special chapter is devoted to the user friendly interfaces that have been written on the basis of these codes. Next we discuss the first principle codes based on band structure, including a chapter on Density Functional theory based approaches. We also give an overview of the first-principle multiplet codes that start from a cluster calculation and we discuss the wavefunction based methods, including multi-reference methods. We end the review with a discussion of the link between theory and experiment and discuss the open issues in the spectral analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Benchmarking MELCOR's NAC Package to ABCOVE Tests AB5 and AB6

This report presents analyses of the AB5 and AB6 ABCOVE sodium spray fire experiments with the MELCOR code. This code simulates the progression of accident events for analysis and auditing purposes of nuclear facilities during accident conditions. Historically, the ABCOVE experiments have contributed to the validation of aerosol physics and related phenomena. Given advancements in sodium-cooled reactor designs, characterization of the sodium spray combustion may further the review and validation of newly incorporated sodium properties and physics packages, namely, the sodium equations of state (EOS) and the sodium combustion (NAC) package within MELCOR. By analyzing the AB5 and AB6 experiments with and without the NAC package, sodium specificity for spray combustion and aerosol formation as well as speciation of the combustion products are reviewed with the new packages. This effort provides code users with a demonstration of the current code capabilities. This report provides the current best practices for the NAC package as well as a discussion of any issues observed while performing the presented analyses.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Saline: An API for Thermophysical Properties

An initial interface for thermophysical data was generalized for broader incorporation into modeling and simulation codes used for molten salt reactor analysis. A quality assurance review of the thermophysical properties data was conducted; errors were fixed, and improvements were made with consistency and accuracy to references. The Saline code application programming interface was created to facilitate access and integration of thermophysical properties. This report describes the thermophysical data, the quality assurance improvements, and the Saline interface.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2012

Transport of intense ion beams and space charge compensation issues in low energy beam lines (invited)

Over the last few years, the interest of the international scientific community for high power accelerators in the megawatt range has been increasing. For such machines, the ion source has to deliver a beam intensity that ranges from several tens up to a hundred of mA. One of the major challenges is to extract and transport the beam while minimizing the emittance growth and optimizing its injection into the radio frequency quadrupole. Consequently, it is crucial to perform precise simulations and cautious design of the low energy beam transport (LEBT) line. In particular, the beam dynamics calculations have to take into account not only the space charge effects but also the space charge compensation of the beam induced by ionization of the residual gas. The physical phenomena occurring in a high intensity LEBT and their possible effects on the beam are presented, with a particular emphasis on space charge compensation. Then, beam transport issues in different kind of LEBTs are briefly reviewed. The SOLMAXP particle-in-cell code dedicated to the modeling of the transport of charge particles under a space charge compensation regime is described. Finally, beam dynamics simulations results obtained with SOLMAXP are presented in the case of international fusion materials irradiation facility injector.

43 PARTICLE ACCELERATORS↗