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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Assessment and Improvement of Fission Product Transport Predictions of Particle Fuel in BISON

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel cycle systems. This program has been providing engineering-scale support for the development of BISON, a high-fidelity and high-resolution fuel performance tool. This study was motivated by the need to incorporate more physics-based models in BISON in order to foster tri-structural isotropic (TRISO) applications. This document details the integration of new modeling capabilities in BISON, including (1) development of pyrolytic carbon (PyC) and silicon carbide (SiC) layer anisotropic thermal and mass transport capabilities, (2) verification of the mass diffusion solution in TRISO modeling, (3) calibration of fission product diffusivity using Advanced Gas Reactor (AGR) experiments, (4) improved fission product release modeling by developing compact diffusion modeling capabilities, and (5) documentation of accelerated failure analysis on the BISON website. Improvements made to the diffusion models and parameters were documented and validated against AGR-1 and -2 experiment data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Quantifying the Value of Grid-Interactive Efficient Buildings through Field Study: Preprint

Quantifying the annual energy impacts of efficient technologies in commercial buildings has been well established by the building science field. As we move toward enabling grid-interactive efficient buildings (GEB) targeting flexible building operation and carbon reduction, quantification methods to evaluate time-sensitive peak load and emissions impact are much less defined. A number of national laboratories are working to field validate four different GEB software solutions that provide the capability to control multiple building end-use systems in multiple load flexibility modes (i.e., energy efficiency, load shed, load shift, and possible load modulation at the second to sub-second level). To guide the laboratory leads in effective measurement and verification (M&V) practices, two of the laboratories collaborated to define metrics to quantify the impacts of flexible load control on building demand, utility costs, carbon emissions, facility management, and occupant comfort. This paper summarizes the proposed metrics to quantify peak load and emission impacts in the field, decision parameters, approaches to accurately conduct M&V, lessons learned, and outstanding needs and next steps.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗
DOE OSTI2021

Crossover from 2D Ferromagnetic Insulator to Wide Band Gap Quantum Anomalous Hall Insulator in Ultrathin MnBi 2 Te 4

Intrinsic magnetic topological insulators offer low disorder and large magnetic band gaps for robust magnetic topological phases operating at higher temperatures. By controlling the layer thickness, emergent phenomena such as the quantum anomalous Hall (QAH) effect and axion insulator phases have been realized. Furthermore, these observations occur at temperatures significantly lower than the Néel temperature of bulk MnBi 2 Te 4 , and measurement of the magnetic energy gap at the Dirac point in ultrathin MnBi 2 Te 4 has yet to be achieved. Critical to achieving the promise of this system is a direct measurement of the layer-dependent energy gap and verification of a temperature-dependent topological phase transition from a large band gap QAH insulator to a gapless TI paramagnetic phase. Here we utilize temperature-dependent angle-resolved photoemission spectroscopy to study epitaxial ultrathin MnBi 2 Te 4 . We directly observe a layer-dependent crossover from a 2D ferromagnetic insulator with a band gap greater than 780 meV in one septuple layer (1 SL) to a QAH insulator with a large energy gap (>70 meV) at 8 K in 3 and 5 SL MnBi 2 Te 4 . The QAH gap is confirmed to be magnetic in origin, as it becomes gapless with increasing temperature above 8 K.

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

Stone Content Influence on Land Surface Model Simulation of Soil Moisture and Evapotranspiration at Reynolds Creek Watershed

Considerable advancement in spatiotemporal resolution of remote sensing and ground-based measurements has enabled refinement of parameters used in land surface models for simulating surface water fluxes. However, land surface modeling capabilities are still inadequate for accurate representation of subsurface properties and processes, which continue to limit the accuracy of land surface model simulation. Our objective in this study was to examine the performance of the variously parameterized Noah-Multiphysics (Noah-MP) land surface model and to improve simulations of evapotranspiration (ET) and soil moisture dynamics in stony soils using verification from eddy covariance ET and in-situ soil moisture data. Meteorological and eddy covariance data from the Lower Sheep sub-catchment within the Reynolds Creek Experimental Watershed in Southwestern Idaho were employed to drive Noah-MP and to assess simulation results. We evaluated the performance of Noah-MP considering four different scenarios: (1) A one-layer soil profile with Noah-MP default soil hydraulic parameters, followed by five-layer soil profiles using -(2) Noah-MP default soil hydraulic parameters -(3) soil hydraulic parameters derived from a pedotransfer function using field observations, and -(4) hydraulic parameters from (3) which also accounted for stone content in each layer. Each modeling experiment was forced with the same set of initial conditions, atmospheric input and vegetation parameters. Our results indicated that enhanced representation of soil profile properties and stone content information noticeably improve the Noah-MP land surface model simulation of soil moisture content and evapotranspiration.

Land surface models, Soil hydrology, Noah-MP, Evap↗
DOE OSTI2020

Feasibility study of a compact neutron resonance transmission analysis instrument

Neutron Resonance Transmission Analysis (NRTA) uses resonant absorption of neutrons to infer the absolute isotopic composition of a target object, enabling applications in a broad range of fields such as archaeology, enrichment analysis of nuclear fuel, and arms control treaty verification. In the past, NRTA involved large user facilities and complex detector systems. However, recent advances in the intensity of compact neutron sources have made compact neutron imaging designs increasingly feasible. This work describes the Monte Carlo (MC) based design of a compact epithermal NRTA radiographic instrument which uses a moderated, compact deuterium-tritium (DT) neutron source and an epithermal neutron detector. Such an instrument would have a wide range of applications, and would be especially impactful for such scenarios as nuclear inspection and arms control verification exercises, where system complexity and mobility may be of critical importance. The MC simulations presented in this work demonstrate accurate time-of-flight (TOF) reconstructions for transmitted neutron energies, capable of differentiating isotopic compositions of nuclear material with high levels of accuracy. A new generation of miniaturized and increasingly more intense neutron sources will allow this technique to achieve measurements with greater precision and speed, with significant impact on a variety of engineering and societal problems.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Code Coverage Status of the ARC Code DASSH-F

The Argonne Reactor Code (ARC) software system supports users in their fast reactor design goals by providing neutronic, thermal-hydraulic, and structural analysis capabilities. DASSH-F serves as a steady state thermal hydraulic capability within the ARC system and replaces the SE2-ANL software that preceded it. This document identifies the set of test problems used to assess the code coverage for DASSH-F. The goal is to document what parts of the existing DASSH-F code are touched by the set of test problems and which are not. Because the verification work remains to be done on DASSH-F, one can assume that most of these issues will be resolved as part of that work. The code coverage analysis of DASSH-F was performed with the Code Coverage Tool of the Intel Fortran compiler which requires modifications to the compilation of DASSH-F. The code coverage tables are given for each submodule of DASSH-F. Because DASSH-F links to modules in DIF3D, some details on coverage changes to the DIF3D linked files is provided. As will be seen, most of the uncovered parts/files can be ignored because they are either for error message and debugging output or obviously not needed by DASSH-F today. Seven features of the DASSH-F code were identified to not be covered by the existing testing suite and thus additional verification test problems are suggested to fully cover these sections.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Evaluation of integrated daylighting and electric lighting design projects: Lessons learned from international case studies

This article presents and discusses the lessons learned from the monitoring of 25 integrated daylighting and electric lighting international case study projects. The case studies consist of real occupied buildings that have been monitored as part of the International Energy Agency (IEA) SHC Task 61/EBC Annex 77 Programme. The general goal of the case studies was to balance lighting energy use with occupants’ visual and non-visual requirements. This was achieved using innovative solutions for daylighting and electric lighting with advanced controls, but also implementing simple and out-of-the-box strategies. The findings suggest that energy demands for lighting can significantly be reduced by combining sensible daylight provision, efficient lighting sources, and advances in controls. Yet, the effective achievement of project goals requires adequate monitoring, fine-tuning, and verification. The findings also suggest that the adoption of “integrative” lighting – that is, lighting systems that address both visual and non-visual responses – is getting increasingly popular. Catering to non-visual requirements will likely drive further innovation in lighting technology. Currently, there is limited investment available for developing daylighting systems for integrative lighting, and the current related electric strategies often come at the risk of energy rebound effects. Overall, providing daylighting and understanding user requirements are fundamental steps towards achieving quality projects, with potential benefits beyond saving energy.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Computational Evaluation of Thermal Response of Open-Cell Foam With Circular Pore (Computional Evaluation of Thermal Response of Open-Cell Foam with Circular Pore)

The evaluation of effective material properties in heterogeneous materials (e.g., composites or multicomponent structures) critically relevant to a wide spectrum of applications, including nuclear power, electronic packaging, flame retardants, hypersonics, and gas turbine power. The work described in this paper is centered around the numerical assessment of the thermal behavior of porous materials obtained from finite element thermal modeling and simulation. Here, two-dimensional, steady state analyses were performed on unit cells with centered, circular pores using a second order accurate Galerkin finite element method (FEM). The effective thermal conductivities of the porous systems were examined, encompassing a range of porosities from 4.9% to 60.1%. The geometries of the models were generated based on ordered circular pores for each modeled porosity level. The system response quantity (SRQ) under investigation was the dimensionless effective thermal conductivity across the unit cell. The dimensionless effective thermal conductivity was compared across all simulated cases, producing a trend between porosity and effective thermal conductivity. In the presented investigation, the method of manufactured solutions (MMS) was used to perform code verification, and the grid convergence index (GCI) was employed to estimate discretization uncertainty as solution verification. Code verification concluded an approximately second order accurate Galerkin FEM solver. It was found that the introduction of porosity to the unit cell material structure reduces effective thermal conductivity, as anticipated. Numerical results obtained in this study are compared to an analytical solution and to a sample of empirical data.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Successive Procedure for Solution Verification Based on User Needs

This paper discusses a revised solution verification procedure for computational fluid dynamics simulations to estimate the uncertainties in the quantities of interest based on discretization error models. This proposed procedure builds upon current procedures described in ASME V&V 20 but provides more guidance in determining the necessary number of mesh levels to build reliable discretization error models. Such guidance is particularly useful for practicing engineers without prior experience in solution verification. The key features of this proposed solution verification procedure are the ability to determine the need for additional mesh levels iteratively and the seamless treatment for underdetermined, exact, and overdetermined solutions of the power series approximation to the discretization error models. This study applies the proposed procedure to a set of synthetic examples to demonstrate the revised procedure’s clarity in determining the number of mesh solutions required for a reliable estimate of the discretization error in computational fluid dynamics settings. Additionally, this proposed procedure prevents a potential pathway in the current procedure in ASME V&V 20 that may lead to unreasonably small discretization errors.

Weinmeister, Justin↗
DOE OSTI2026

Characterization and effects of impurities on carbonate quantification in heterogenous matrices

Mineral carbonation simulates a natural weathering phenomena by breaking down silicates and oxides to form Ca & Mg carbonates. Various mineralization methods have been demonstrated as a potential technique to improve the quality of slags and tailings through neutralization and stabilization of problematic species to yield a product better suited for use in concrete. This study aims to characterize, quantify and analyze carbonates in various carbonated products such as mineralized CaCO 3 , CO 2 mineralized Steel Slags and Mine Tailings. More than 10 samples were analyzed for carbonate measurement and verification from industrial and academic partners that pioneer commercial CO 2 mineralization technologies. The samples were characterized primarily by using X-ray diffraction (XRD), Thermogravimetric Analyses (TGA), and Scanning Electron Microscopy (SEM) to gain insights into CaCO 3 content. A baseline characterization of lab-grade CaCO 3 and MgCO 3 also revealed important considerations for CaCO 3 measurement using TGA alone. The experiments using synthetic lab-grade samples also revealed that the presence of MgCO 3 /MgO can accelerate the decomposition of CaCO 3 and thus can affect measurement parameters. Lab-grade CaCO 3 samples dosed into steel slag and mine tailing also showed significant deviation in their decomposition behavior. These insights are used to inform the development of a standardized protocol for the measurement and verification of carbonate-bearing products.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Toward engineering lattice structures with the material point method (MPM)

This study examines the potential of two variants of the material point method—the generalized interpolation material point (GIMP) and dual domain material point (DDMP) methods—in developing a robust computational framework for engineering lattice structures under different loading conditions. The study begins with assessing the ability of the two methods in predicting elastic buckling phenomena using column geometries with and without initial geometric imperfections. The results indicate that both methods effectively capture buckling phenomena when initial geometric imperfections are introduced. After this verification step, we create several models of tetrahedral lattice structures with varying strut diameter and orientation and subject them to quasi-static loading. We then validate the numerical results using laboratory test results. The results show that, while both methods accurately predict load–displacement curves in the pre-buckling regime, their predictive capabilities diminish in the post-buckling regime. Through visual comparison between the numerical and experimental deformed shapes, it appears that the discrepancies between model and experimental results are attributed to initial geometric imperfections in the lattices that occurred during 3D printing. We then establish a second set of lattice models where different types of initial geometric imperfections are considered. The results from these models show that imperfections have a negligible influence in the pre-buckling regime but affect the behavior considerably in the post-buckling regime. As a final step in this work, we subject the lattice models to impact loading and employ hypothetical soft and stiff materials. These results show that the lattice stiffness, which depends on material stiffness, strut diameter, and orientation, significantly influences the ability of a lattice structure to resist impact. In particular, we find that a stiffer lattice (i.e., one made with a stiff material and thicker struts) is capable of absorbing more energy than a softer one during impact. Although material nonlinearities, inelasticity, and detailed contact formulations are not considered in this study, the findings obtained herein lay the groundwork for engineering lattice structures under extreme loading conditions through a simulation-driven framework based on particle-based methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A fast Fourier transform-based solver for elastic micropolar composites

This work presents a spectral micromechanical formulation for obtaining the full-field and homogenized response of elastic micropolar composites. The algorithm relies on a coupled set of convolution integral equations for the micropolar strains, where periodic Green’s operators associated with a linear homogeneous reference medium are convolved with functions of the Cauchy and couple stress fields that encode the material’s heterogeneity, as well as any potential material nonlinearity. Such convolution integral equations take an algebraic form in the reciprocal Fourier space that can be solved iteratively. In this vein, the fast Fourier transform (FFT) algorithm is leveraged to accelerate the numerical solution, resulting in a mesh-free formulation in which the periodic unit cell representing the heterogeneous material can be discretized by a regular grid of pixels in two dimensions (or voxels in three dimensions). For verification, the numerical solutions obtained with the micropolar FFT solver are compared with analytical solutions for a matrix with a dilute circular inclusion subjected to plane strain loading. The developed computational framework is then used to study length-scale effects and effective (micropolar) moduli of composites with various topological configurations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

DAKOTA (Design Analysis Kit for Optimization and Terascale) v.6.14

Sandia's Dakota software supports science and engineering transformation through advanced exploration of simulations. Specifically, Dakota manages and analyzes ensembles of simulations to provide broader and deeper perspective for analysts and decision makers. This enables them to: (1) enhance understanding of risk, (2) improve products, and (3) assess simulation credibility. In its simplest mode, Dakota can automate typical parameter variation studies through a generic interface to a computational model. Dakota also delivers advanced parametric analysis techniques enabling design exploration, optimization, model calibration, risk analysis, and quantification of margins and uncertainty with such models. It directly supports verification and validation activities. The algorithms implemented in Dakota aim to address challenges in performing these analyses with complex science and engineering models from desktop to high performance computers. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525 SAND2021-10468 O

Adams, BrianM.↗
DOE OSTI2021

DAKOTA (Design Analysis Kit for Optimization and Terascale) v.6.16

Sandia's Dakota software supports science and engineering transformation through advanced exploration of simulations. Specifically, Dakota manages and analyzes ensembles of simulations to provide broader and deeper perspective for analysts and decision makers. This enables them to: (1) enhance understanding of risk, (2) improve products, and (3) assess simulation credibility. In its simplest mode, Dakota can automate typical parameter variation studies through a generic interface to a computational model. Dakota also delivers advanced parametric analysis techniques enabling design exploration, optimization, model calibration, risk analysis, and quantification of margins and uncertainty with such models. It directly supports verification and validation activities. The algorithms implemented in Dakota aim to address challenges in performing these analyses with complex science and engineering models from desktop to high performance computers. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525 SAND2021-10468 O

Adams, BrianM.↗
DOE OSTI2025

Flow instabilities in helical-coil steam generators for small modular reactors: A review

Here, this study covers the research and discoveries in two-phase flow-boiling instabilities available in the literature—specifically for a helical-coil steam generator (HCSG), including experimental findings, theoretical research, computational models, and system code analyses—supporting research and development of representative small modular reactors (SMRs). Like other new and advanced reactor systems, water-cooled SMRs require experimental data from both integral and separate thermal-hydraulics test facilities for the verification and validation (V&V) of the computational models and computer codes in order to design and obtain regulatory approval. The complex dynamics of two-phase flow-boiling instabilities includes flow regimes physics phenomena, flow-channel geometries, heat-transfer behavior, and interactions among the solid–liquid-gas within the system boundary, all of which are pivotal for understanding the design and operational challenges of SMRs. This study focuses on identifying the relevant knowledge gaps on boiling instabilities—specifically for a HCSG—and provides insights about future research direction optimizing the transport of thermal energy, mass-flow rates, and boundary conditions that ensure the adequate heat-transfer performance, operational stability, and safety associated with SMR systems.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

Optimizing a detection system for fissile material in nuclear disarmament verification

In arms control treaties, verification plays a crucial role in detecting non-compliance, deterring future violations, and building trust between state parties. Neutron interrogation that induces fission reactions in fissile isotopes and measures the resulting fission neutrons, could be employed for this purpose. This study aims to develop a system which can determine the presence of fissile material while intrinsically protecting information. In this paper, we focus on optimizing the system for discriminating between an enriched uranium block from a depleted uranium (DU) block. The system was built and we report on benchmark measurements with DU and 16% enriched uranium blocks. Furthermore, the Excalibur (Experiment for Calibration with Uranium) neutron source, a neutron spectrometer (redBubble Technology Industries (BTI) N-Probe), and superheated droplet detectors were used for these measurements. MCNP simulations provided insights into detector responses to fissile materials with varying isotopic compositions, confirming that the system functioned as designed.

Active neutron interrogation↗
DOE OSTI2021

Sensor impact evaluation and verification for fault detection and diagnostics in building energy systems: A review

Sensors are the key information source for fault detection and diagnostics (FDD) in buildings. However, sensors are often not properly designed, installed, calibrated, located, and maintained, which negatively impacts FDD performance. Several sensor-related FDD topics have been widely studied, covering a wide range of fault types and applications. However, it is difficult to get a clear picture of the technical development of sensor-related topics in FDD. A systematic review of sensor topics is needed to summarize the existing research in a logical way, draw conclusions on the current development, and predict the future development of sensors in building FDD. To address this gap, we conducted a comprehensive literature review of more than 100 FDD-sensor-related papers. In this article, we subdivide the FDD tasks into building-level, system-level, and component-level FDD, and review sensor-related topics in each category. Our major conclusions are: (a) current data-driven FDD research focuses more on FDD algorithms than sensors, (b) sensor “hardware” research topics are less studied than sensor “software” topics, (c) very few papers focus on sensor engineering as an integral aspect of FDD development, and (d) some important sensor topics, such as sensor cost-effectiveness and sensor schema/layout/location, are not well studied. Finally, we discuss the need for a systematic framework of FDD sensors and models to integrate sensor design/selection, sensor data analysis/mining, feature selection, physics-based or data-driven algorithm development, sensor fault detection, sensor calibration, and sensor maintenance. Finally, expert interviews are conducted to validate the above findings and conclusions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗