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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 811 records · Page 45
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DOE OSTI2022

Standardization of Smart Contracts for Energy Markets and Operation

This work presents a formal review of smart contracts, including definitions, technical requirements, and potential power and energy-related use cases. This includes in-depth discussions covering cybersecurity, legality and interoperability goals that must be taken into consideration by potential end-users. The paper presents a first attempt towards the standardization of smart contracts (SCs) within the field of power and energy as a work in progress activity under the IEEE Standards Association (IEEE SA) P2418.5 Working Group. This work also proposes a holistic, language-agnostic reference model that is intended to accelerate the adoption of Distributed Ledger Technology (DLT) by industry stakeholders by providing standardized processes. Finally, the paper discusses key takeaways that must continue to be developed to increase SC usage within the energy industry.

Blockchain, smart contracts, DLT↗
DOE OSTI2023

Verification of the Serpent-Griffin Workflow using the SNAP 8 Experimental Reactor

The Systems for Nuclear Auxiliary Power (SNAP) program accumulated extensive experimental measurements over a span of 15 years. This work builds upon previous studies which validated Serpent against experimental data for various criticality configurations of the SNAP 8 Experimental Reactor (S8ER). A 2-stage sequence is applied here with Serpent used for the generation of few-group cross sections and Griffin as the transport eigenvalue solver. Sensitivity studies are performed to qualify the effect and uncertainty of various parameters, comparing against reference models for the S8ER. The results from this work will then be expanded to create a generalized methodology for the Serpent-Griffin 2-stage approach for microreactor applications.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Virtual Test Bed (VTB): NRIC FY24 Program Review

NRIC: Deliver successful demonstration and deployment of advanced nuclear energy EBRII Test Bed (DOME) ZPPR Test Bed (LOTUS) Virtual Test Bed (VTB): Accelerate deployment of advanced reactors by leveraging state-of-the-art ModSim tools to evaluate performance and safety Ok, but what is it? Library of Reference Model: database of advanced multiphysics advanced reactor models that users can download, edit, and re-run Continuous Software QA: linking repository to software development to avoid legacy issues while enabling rapid code development Virtual models of the test bed: developing demonstration-relevant models (e.g., candidates for DOME/LOTUS) to accelerate safety evaluations

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Summary Report of the FY24 DOE Contributions to the GIF VHTR CMVB

The Generation-IV Forum (GIF) Very-High-Temperature Reactor-Computational Methods Validation and Benchmark (VHTR-CMVB) initiative, involving organizations from Korea Atomic Energy Research Institute (KAERI) (South Korea), Institute of Nuclear and New Energy Technology of Tsinghua University (INET) (China), U.S. Department of Energy (DOE) (U.S.), Joint Research Centre (JRC) (Europe), and Japan Atomic Energy Agency (JAEA) (Japan), is dedicated to the verification and validation of tools for High-Temperature Gas-Cooled Reactors (HTGRs) analysis, using data shared by Computational Methods Validation and Benchmark (CMVB) signatories. For FY24, the US DOE CMVB has committed to several critical activities. Under WP1, led by the US, the integration of the High Temperature Gas Cooled Reactor - Pebble-Bed Module (HTR-PM) Phenomena Identification and Ranking Table (PIRT) into the comparative PIRT is progressing, with a new draft of the comparison tables issued earlier this year and currently being utilized by INET for their contribution. Neutronic validation efforts under WP3 include the preparation of the burnup analysis benchmark, preliminary calculations, and the development of reference models and results. In WP2, a validation exercise for hot gas mixing in the lower plenum of HTR-PM is in progress, using experimental data from INET (China) to validate modeling approaches. A model of the experimental facility has been developed using StarCCM+, with initial calculations slated for presentation at the GIF CMVB meeting this fall. Another WP2 activity focuses on validating numerical models for air-cooled Reactor Cavity Cooling System (RCCS) with experimental data from the Wisconsin Madison RCCS facility. A high-fidelity model, developed using NEK-RS, is currently being validated with available data from a low power forced convection test. These efforts are aimed at enhancing and confirming the accuracy of HTGR analysis tools, ensuring their alignment with experimental data and regulatory requirements.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Coupled SAM/Griffin Model of a Reference Fluoride-Salt-Cooled High-Temperature Reactor for Multi-Physics Simulations

A multi-physics coupled simulation model of a reference pebble bed fluoride-salt-cooled high-temperature reactor (PB-FHR) has been developed with SAM and Griffin computer codes for transient safety analysis. The reference problem of a prototypical reactor design serves as the foundation for the U.S. NRC (Nuclear Regulatory Commission) to verify the adequacy of computer codes and evaluation models for specific reactor types. In this work, the previously developed SAM model for PB-FHR primary loop has been updated for the coupled simulation. The updated SAM PB-FHR model includes a 2-D axial symmetric core region and external core components in 0-D/1-D. In addition to the primary loop, a detailed model of the RCCS (reactor cavity cooling system) is added. The 2-D and 1-D domains are tightly coupled using the single-solve approach developed in SAM. In the pebble bed region, the SAM multiscale explicit pebble model is applied to calculate the pebble and TRISO fuel kernel temperatures. The Griffin model used in this work is based on a model developed at Idaho National Laboratory in collaboration with the U.S. NRC. The Griffin neutronics model and SAM thermal hydraulics model is coupled with the Comprehensive Reactor Analysis Bundle (CRAB or alternately BlueCRAB) application. Both steady-state and transient scenarios are simulated to demonstrate the model's suitability for multi-physics simulations of PB-FHR transients.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1977

Research study on neutral thermodynamic atmospheric model

The Global Reference Atmospheric Model is used along with the revised perturbation statistics to evaluate and computer graph various atmospheric statistics along a space shuttle reference mission and abort trajectory. The trajectory plots are height vs. ground range, with height from ground level to 155 km and ground range along the reentry trajectory. Cross sectional plots, height vs. latitude or longitude, are also generated for 80 deg longitude, with heights from 30 km to 90 km and latitude from -90 deg to +90 deg, and for 45 deg latitude, with heights from 30 km to 90 km and longitudes from 180 deg E to 180 deg W. The variables plotted are monthly average pressure, density, temperature, wind components, and wind speed and standard deviations and 99th inter-percentile range for each of these variables.

Hargraves, W. R.↗
NASA NTRS2002

Reference and Standard Atmosphere Models

This paper describes the development of standard and reference atmosphere models along with the history of their origin and use since the mid 19th century. The first "Standard Atmospheres" were established by international agreement in the 1920's. Later some countries, notably the United States, also developed and published "Standard Atmospheres". The term "Reference Atmospheres" is used to identify atmosphere models for specific geographical locations. Range Reference Atmosphere Models developed first during the 1960's are examples of these descriptions of the atmosphere. This paper discusses the various models, scopes, applications and limitations relative to use in aerospace industry activities.

Johnson, Dale L.↗
NASA NTRS1987

The GRAM-3 model

The Global Reference Atmosphere Model (GRAM) is under continuous development and improvement. GRAM data were compared with Middle Atmosphere Program (MAP) predictions and with shuttle data. An important note: Users should employ only step sizes in altitude that give vertical density gradients consistent with shuttle-derived density data. Using too small a vertical step size (finer then 1 km) will result in what appears to be unreasonably high values of density shears but what in reality is noise in the model.

Justus, C. G.↗
DOE OSTI2021

Influence of Diffuse and Ground-Reflected Irradiance on the Spectral Modeling of Solar Reference Cells

Thermal Energy Storage (TES) is a key component for solar thermal applications to bridge the gap between the demand for thermal energy and the supply of solar energy, whose availability depends on the time of day and season. Thus, cost-effective packed-bed thermal containers filled with a solid storage medium have been proposed for high-temperature sensible heat storage as materials are abundant and relatively cheap. Thus, it is necessary to investigate their performance and temperature profiles during the charge-discharge cycle. Several models are available for this purpose. Typically, the more detailed a model, the greater the computational effort required to solve it, and hence a time-efficient model is needed to prevent excessively long computation times for long-term analysis. At the more basic level, the common Hughes E-NTU model and the less realistic simplified Infinite-NTU model are very important for their less time and computational effort. In this paper, the appropriateness of employing the Infinite-NTU model was evaluated to investigate the performance of a typical and scalable rock-bed TES as a case study. The results presented provide a methodology to quickly test the validity of the model and predict the temperature profile for the case under study. Accordingly, such simple charge-discharge cycle thermal performance predictions are important to plan, design, and rapidly deploy a reliable and economical solar thermal system for the supply of valuable heat to high-temperature demanding applications of power generation and industrial processes as part of a rapid shift towards non-polluting renewable energy. Keywords: Solar Thermal, TES, Packed-bed, NTU model, Temperature profile

PV modeling↗
DOE OSTI2015

Reference interaction site model and optimized perturbation theories of colloidal dumbbells with increasing anisotropy

We investigate thermodynamic properties of anisotropic colloidal dumbbells in the frameworks provided by the Reference Interaction Site Model (RISM) theory and an Optimized Perturbation Theory (OPT), this latter based on a fourth-order high-temperature perturbative expansion of the free energy, recently generalized to molecular fluids. Our model is constituted by two identical tangent hard spheres surrounded by square-well attractions with same widths and progressively different depths. Gas-liquid coexistence curves are obtained by predicting pressures, free energies, and chemical potentials. In comparison with previous simulation results, RISM and OPT agree in reproducing the progressive reduction of the gas-liquid phase separation as the anisotropy of the interaction potential becomes more pronounced; in particular, the RISM theory provides reasonable predictions for all coexistence curves, bar the strong anisotropy regime, whereas OPT performs generally less well. Both theories predict a linear dependence of the critical temperature on the interaction strength, reproducing in this way the mean-field behavior observed in simulations; the critical density—that drastically drops as the anisotropy increases—turns to be less accurate. Our results appear as a robust benchmark for further theoretical studies, in support to the simulation approach, of self-assembly in model colloidal systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Time-dependent density functional theory (TD-DFT) coupled with reference interaction site model self-consistent field explicitly including spatial electron density distribution (RISM-SCF-SEDD)

Theoretical approach to design bright bio-imaging molecules is one of the most progressing ones. However, because of the system size and computational accuracy, the number of theoretical studies is limited to our knowledge. To overcome the difficulties, we developed a new method based on reference interaction site model self-consistent field explicitly including spatial electron density distribution and time-dependent density functional theory. We applied it to the calculation of indole and 5-cyanoindole at ground and excited states in gas and solution phases. The changes in the optimized geometries were clearly explained with resonance structures and the Stokes shift was correctly reproduced.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Hydrogen Plus Other Alternative Fuels Risk Assessment Models (HyRAM+) Technical Reference Manual (V.6.0)

The HyRAM+ software is an open-source toolkit that provides publicly available models and default input values to enable straightforward and consistent safety assessments for hydrogen and other alternative fuel systems, such as natural gas and propane. The HyRAM+ quantitative risk assessment calculation incorporates annual likelihood of leaks or failures for both compressed gaseous and liquefied flammable fuels, as well as probabilistic models for the effects of heat flux and overpressure. HyRAM

08 HYDROGEN↗
DOE OSTI2021

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

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

02 PETROLEUM↗
DOE OSTI2016

Numerical methods for the weakly compressible Generalized Langevin Model in Eulerian reference frame

A well established approach for the computation of turbulent flow without resolving all turbulent flow scales is to solve a filtered or averaged set of equations, and to model non-resolved scales by closures derived from transported probability density functions (PDF) for velocity fluctuations. Effective numerical methods for PDF transport employ the equivalence between the Fokker–Planck equation for the PDF and a Generalized Langevin Model (GLM), and compute the PDF by transporting a set of sampling particles by GLM (Pope (1985) [1]). The natural representation of GLM is a system of stochastic differential equations in a Lagrangian reference frame, typically solved by particle methods. A representation in a Eulerian reference frame, however, has the potential to significantly reduce computational effort and to allow for the seamless integration into a Eulerian-frame numerical flow solver. GLM in a Eulerian frame (GLMEF) formally corresponds to the nonlinear fluctuating hydrodynamic equations derived by Nakamura and Yoshimori (2009) [12]. Unlike the more common Landau–Lifshitz Navier–Stokes (LLNS) equations these equations are derived from the underdamped Langevin equation and are not based on a local equilibrium assumption. Similarly to LLNS equations the numerical solution of GLMEF requires special considerations. In this paper we investigate different numerical approaches to solving GLMEF with respect to the correct representation of stochastic properties of the solution. We find that a discretely conservative staggered finite-difference scheme, adapted from a scheme originally proposed for turbulent incompressible flow, in conjunction with a strongly stable (for non-stochastic PDE) Runge–Kutta method performs better for GLMEF than schemes adopted from those proposed previously for the LLNS. We show that equilibrium stochastic fluctuations are correctly reproduced.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2016

Towards a Reference Architecture for Model-Based Engineering Environments

A key aspect of adopting model-based systems engineering as a practice in an organization is the design and development, and adoption of corresponding processes and tools that support the model-based paradigm. In an effort to enable the unified implementation of such processes and tools, this paper introduces a reference architecture model that serves as a specification for a model-based engineering environment. Current systems engineering practices, products, processes and technologies are used as input for continuously refining the architecture model. In the paper, we introduce and report on the current status of this reference architecture model, and present the methodology applied in developing the reference architecture. We conclude that while there are a very large number of domain- or application-specific processes requiring specialized behavior, these can be reduced through abstraction to a small set of core functions that need to be supported by a realization of a model-based engineering environment. Only very few organization-domain- or application-specific aspects require specialized consideration.

Herzig, Sebastian J. I.↗
DOE OSTI2015

Toward “optimal” integration of terrestrial biosphere models

Multimodel ensembles (MME) are commonplace in Earth system modeling. Here we perform MME integration using a 10-member ensemble of terrestrial biosphere models (TBMs) from the Multiscale synthesis and Terrestrial Model Intercomparison Project (MsTMIP). We contrast optimal (skill based for present-day carbon cycling) versus naive (one model-one vote) integration. MsTMIP optimal and naive mean land sink strength estimates (-1.16 versus -1.15 Pg C per annum respectively) are statistically indistinguishable. This holds also for grid cell values and extends to gross uptake, biomass, and net ecosystem productivity. TBM skill is similarly indistinguishable. The added complexity of skill-based integration does not materially change MME values. This suggests that carbon metabolism has predictability limits and/or that all models and references are misspecified. Finally, resolving this issue requires addressing specific uncertainty types (initial conditions, structure, and references) and a change in model development paradigms currently dominant in the TBM community.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1984

Shuttle derived atmospheric density model. Part 2: STS atmospheric implications for AOTV trajectory analysis, a proposed GRAM perturbation density model

A perturbation model to the Marshall Space Flight Center (MSFC) Global Reference Atmosphere Model (GRAM) was developed for use in the Aeroassist Orbital Transfer Vehicle (AOTV) trajectory and analysis. The model reflects NASA Space Shuttle experience over the first twelve entry flights. The GRAM was selected over the Air Force 1978 Reference Model because of its more general formulation and wider use throughout NASA. The add-on model, a simple scaling with altitude to reflect density structure encountered by the Shuttle Orbiter was selected principally to simplify implementation. Perturbations, by season, can be utilized to minimize the number of required simulations, however, exact Shuttle flight history can be exercised using the same model if desired. Such a perturbation model, though not meteorologically motivated, enables inclusion of High Resolution Accelerometer Package (HiRAP) results in the thermosphere. Provision is made to incorporate differing perturbations during the AOTV entry and exit phases of the aero-asist maneuver to account for trajectory displacement (geographic) along the ground track.

Findlay, J. T.↗
DOE OSTI2022

Achieving robust somatic mutation detection with deep learning models derived from reference data sets of a cancer sample

Accurate detection of somatic mutations is challenging but critical in understanding cancer formation, progression, and treatment. We recently proposed NeuSomatic, the first deep convolutional neural network-based somatic mutation detection approach, and demonstrated performance advantages on in silico data. In this study, we use the first comprehensive and well-characterized somatic reference data sets from the SEQC2 consortium to investigate best practices for using a deep learning framework in cancer mutation detection. Using the high-confidence somatic mutations established for a cancer cell line by the consortium, we identify the best strategy for building robust models on multiple data sets derived from samples representing real scenarios, for example, a model trained on a combination of real and spike-in mutations had the highest average performance. The strategy identified in our study achieved high robustness across multiple sequencing technologies for fresh and FFPE DNA input, varying tumor/normal purities, and different coverages, with significant superiority over conventional detection approaches in general, as well as in challenging situations such as low coverage, low variant allele frequency, DNA damage, and difficult genomic regions.

59 BASIC BIOLOGICAL SCIENCES↗