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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A comparative analysis of numerical approaches for the description of gas flow in clay-based repository systems: From a laboratory to a large-scale gas injection test

There is nowadays a consensus among many countries that geological disposal is a favourable solution for the long-term management. Although different host formations and different barrier systems are under consideration around the world, clay-based materials form an important component for waste isolation in most national programmes. Hence, a good comprehension of the effect of gas flow on the hydro-mechanical behaviour of clay-based soils is essential, both at laboratory and field scale. Task B under the international cooperative project DECOVALEX-2023 has recently shown that, after some enhancement, models can be employed to reproduce laboratory scale tests, even with different sample geometries 37 . However, further work is required to understand whether they can be applied to simulate a large-scale experiment. Up-scaling of models for the advective transport of gas through clay-based low permeable material presents a number of problems related to the difficulty in obtaining consistent hydrogeological parameters and constitutive relationships at both laboratory and field scale. Based on a unique dataset from a large-scale gas injection test (Lasgit) performed at the Äspö Hard Rock Laboratory (Sweden), Task B within DECOVALEX-2023 has explored the refinement of these numerical strategies applied to the simulation of gas flow. Work performed within the task reveals that codes do not need to be substantially modified from the laboratory models to reproduce full-scale tests: indeed, model parameters calibrated and validated at laboratory scale have been applied to predict field scale gas flow at Lasgit, including peak gas pressure and injected cumulative gas volume. By means of (1) the introduction of interfaces between blocks to reflect the experimental configuration and the (2) adjustment of some parameters (e.g., higher permeability), the updated models are able to represent most of the key features observed in the experimental data, even at a large scale.

Tamayo-Mas, E↗
DOE OSTI2024

Shear rate dependency on flowing granular biomass material

The commercialization of bioenergy has been significantly limited by various material handling issues due to the poor flowability of granular biomass materials. A good understanding of flow physics and robust constitutive models to predict flow behavior across multiple regimes are essential to address these issues. In this study, we investigated the multi-regime flow behavior of loblolly pine chips, a widely used bioenergy feedstock, through comprehensive inclined plane flow experiments and simulations. A quasi-static hypoplastic model and a cross-regime Drucker-Prager-µ(I) model were calibrated and validated against the physical experiments to investigate the quasi-static and dense flow behavior. The results show that for granular biomass, 1) plane flow (iso-thickness along the plane) exists within a smaller range of inclination while heap flow (varying thickness along the plane) exists within a broader range of inclination, as compared with conventional granular materials (e.g., glass beads); 2) the scaling law of granular biomass flowing on an inclined plane (Froude Number versus dimensionless thickness) forms a bi-linear trend with the turning point governed by the quasi-static and dense flow regimes; 3) the multi-regime DP-µ(I) model can capture the flow behavior in both regimes well at the cost of extra calibration. In conclusion, these findings advance the scientific understanding of the multi-regime flow behavior of granular biomass materials and shed light on formulating novel constitutive models to assist granular biomass handling in the bioenergy industry.

09 BIOMASS FUELS↗
DOE OSTI2025

Modeling Losses in a Three Electrode System Towards Fast Charge Control

In this work we demonstrate the applicability of a versatile separator-reference mounted electrode in a three-electrode setup to accurately capture the primary current pathway in the battery cell during operation, calibrate a porous electrode model to the individual anode and cathode potential signals, and assign the various resistances to electrochemical phenomena in the battery cell. This calibrated electrochemical model is validated using continuous rate discharges associated with highway driving scenarios in an electric vehicle, and in turn utilized to predict the local anode potential and proximity to lithium plating onset. Finally, we demonstrate the strategy associated with utilization of the model to estimate constant anode potential charging during fast charge scenarios at various rates and starting conditions as a future look to fast charge calibration development and controls.

Garrick, Taylor R. (ORCID:0000000322518129)↗
DOE OSTI2022

Modeling perennial bioenergy crops in the E3SM land model (ELMv2)

Perennial bioenergy crops are increasingly important for the production of ethanol and other renewable fuels, and as part of an agricultural system that alters the climate through its impact on biogeophysical and biogeochemical properties of the terrestrial ecosystem. Few earth system models (ESMs) represent such crops, however. In this study, we expand the Energy Exascale Earth System Model (E3SM) Land Model (ELMv2) to include perennial bioenergy crops with a high potential for mitigating climate change. We focus on high-productivity miscanthus and switchgrass, estimating various parameters associated with their different growth stages and performing a global sensitivity analysis to identify and optimize these parameters. The sensitivity analysis identifies five parameters associated with phenology, carbon/nitrogen allocation, stomatal conductance, and maintenance respiration as the most sensitive parameters for carbon and energy fluxes. We calibrated and validated the model against observations and found that the model closely captures the observed seasonality and the magnitude of carbon fluxes. The validated model represents the latent heat flux fairly well, but sensible heat flux for miscanthus is not well captured. Finally, we validated the model against observed leaf area index (LAI) and harvest amount and found modeled LAI captured observed seasonality , although the model underestimates LAI and harvest amount. This work provides a foundation for future ESM analyses of the interactions between perennial bioenergy crops and carbon, water, and energy dynamics in the larger earth system, and sets the stage for studying the impact of future biofuel expansion on climate and terrestrial systems.

09 BIOMASS FUELS↗
DOE OSTI2020

Quantitative Analysis of the Effects of Natural and Human Factors on a Hydrological System in Zhangweinan Canal Basin

Drought is a water deficit state caused by large-scale climate change that cannot be avoided by a water resource management system. Water scarcity refers to the unsustainable utilization of water resources over a long time, which is the result of water management policies. However, water deficits caused by drought and water scarcity often occur simultaneously and are indistinguishable. This study proposes a model-based simulation framework that can quantitatively distinguish natural factors (drought) from human factors (water scarcity) in a hydrological system. The simulation was applied to the Zhangweinan Canal Basin, based on the runoff sequences from 1950 to 2004. The results show that the runoff curve number, soil depth, soil available water, soil evaporation compensation coefficient, base runoff α coefficient and the maximum canopy interception have the highest sensitivity to runoff, and that the calibrated and validated SWAT model can effectively simulate the runoff process in the Zhangweinan Canal Basin and similar areas. Abrupt changes in human activities in 1975 and water scarcity led to the disappearance of the summer peak runoff period in both wet and dry years. Human factors are the main reason for the change in the hydrological system in the study area; the runoff loss caused by human factors is four times that caused by natural factors according to the proposed variable threshold. This study proposes a model-based simulation framework that can help water resource managers to distinguish the effects of drought and water scarcity in water-stressed areas and adjust management accordingly.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A reactive flow model for the 3,3'-diamino-4,4'-azoxyfurazan based plastic bonded explosive (PBX 9701)

Here, this paper describes the calibration of the Arrhenius Wescott–Stewart–Davis (AWSD) reactive flow model for the recently developed high explosive PBX 9701, which consists of 97% 3,3'-diamino-4,4'-azoxyfurazan (DAAF) and 3% FK-800 binder by weight. DAAF-based explosive formulations have several desirable qualities as they are relatively insensitive to non-shock insults but have higher performance than triaminotrinitrobenzene based formulations. Equations of state for the explosive reactants and products are calibrated using a combination of existing and new experimental data and theoretical calculations. The AWSD rate law calibration utilizes both one-dimensional shock-to-detonation and multidimensional rate stick experiments to capture the shock initiation and propagating detonation regimes. Validation of the calibrated model is demonstrated through comparison with recent gas-gun experiments.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

IM3 Projected U.S. Western Interconnection Grid Stress Dataset

This dataset provides projected grid stress and reliability results (including all model inputs and outputs from GO WEST and TEP) for Integrated Multisector, Multiscale Modeling (IM3) Phase 2 simulations across eight different scenarios for the U.S. Western Interconnection through 2055. The scenarios include combinations of two Shared Socioeconomic Pathways (SSP3 and SSP5) with four high-resolution climate projections specific to the United States from a set of Thermodynamic Global Warming (TGW) simulations. These climate projections include "hotter" and "cooler" variants for two Representative Concentration Pathways (RCP4.5 and RCP8.5). The resulting eight simulations are: rcp45cooler_ssp3 rcp45cooler_ssp5 rcp45hotter_ssp3 rcp45hotter_ssp5 rcp85cooler_ssp3 rcp85cooler_ssp5 rcp85hotter_ssp3 rcp85hotter_ssp5 GO WEST is an open-source power grid modeling framework for the U.S. Western Interconnection, which allows users to tailor the model depending on their research study and science questions. It covers 28 balancing authorities (BAs) and 12 states in U.S. Western Interconnection. GO WEST allows users to select different number of nodes and come up with a simplified network by utilizing 10,000 nodal topology of the U.S. Western Interconnection (ACTIVSg10k). Users can select different number of nodes, mathematical formulations (linear programming vs. mixed-integer linear programming), transmission line limit scaling factors, and hurdle rate scaling factors. GO WEST offers a unit commitment and economic dispatch (UC/ED) module to simulate grid operations on an hourly scale. In this sense, users can calibrate and validate their model versions by comparing model outputs to historical datasets. TEP is an open-source transmission capacity expansion model, built on the GO WEST framework. It utilizes linear programming to optimize transmission capacity addition investment on existing lines within the GO WEST framework. The TEP model only increases the thermal capacity of existing transmission lines and does not add new lines to the system, which leaves the topology preserved. In order to use TEP model, users need to create scenarios with the GO WEST framework. Please refer to README file for a detailed description of the dataset including individual files and references.

Capacity Expansion Model↗
DOE OSTI2024

Cooperative Transmission Expansion Planning Experiment Data and Results

GO WEST is an open-source power grid modeling framework for U.S. Western Interconnection, which allows users to tailor the model depending on their research study and science questions. It covers 28 balancing authorities (BA) and 12 states in U.S. Western Interconnection. GO WEST allows users to select different number of nodes and come up with a simplified network by utilizing 10,000 nodal topology of U.S. Western Interconnection created by Texas A&M University. Users can try and select different number of nodes, mathematical formulations (linear programming vs. mixed-integer linear programming), transmission line limit scaling factors, and hurdle rate scaling factors. GO WEST offers a unit commitment and economic dispatch (UC/ED) module to simulate grid operations on an hourly scale. In this sense, users can calibrate and validate their model versions by comparing model outputs to historical datasets. TEP is an open-source transmission capacity expansion model, built on GO WEST framework. It utilizes linear programming to optimize transmission capacity addition investment on existing lines within GO WEST framework. In this sense, TEP model only increases the thermal capacity of existing transmission lines and does not add new lines to the system, which leaves the topology preserved. TEP minimizes the total cost of the system which comprises the operational cost of satisfying electricity demand (i.e., generation cost), cost of loss of load (i.e., unserved energy), cost of power flow, and cost of new transmission capacity additions (i.e., investment cost). In order to use TEP model, users need to create scenarios with GO WEST framework. In this analysis, outputs from several models are used to create future inputs to GO WEST and TEP models, including GCAM-USA, TELL, CERF and reV. This dataset includes experiment inputs and outputs from three different transmission expansion scenarios (cooperative, intermediate, and individual) for 2019 and 2059. For 2019, a base scenario to illustrate the default (i.e., historical) power grid operations is also included. This study utilizes rcp45hotter_ssp3 scenario from a previous version of GCAM-USA simulations. Sources of the shapefiles in supplementary data are HIFLD Open and U.S. Energy Atlas. Please see the README file for a detailed description of the main and supplementary data.

Capacity Expansion Model↗
DOE OSTI2023

IM3 GO WEST Parameter Search Dataset

GO WEST is an open-source power grid modeling framework for U.S. Western Interconnection, which allows users to tailor the model depending on their research study and science questions. It is developed to address weather and water dynamics, and associated vulnerabilities in this bulk power system. It covers 28 balancing authorities (BA) and 12 states in U.S. Western Interconnection. GO WEST allows users to select different number of nodes and come up with a simplified network by utilizing 10,000 nodal topology of U.S. Western Interconnection created by Texas A&M University. Users can try and select different number of nodes, mathematical formulations (linear programming vs. mixed-integer linear programming), transmission line limit scaling factors, and hurdle rate scaling factors. GO WEST offers a unit commitment and economic dispatch (UC/ED) module to simulate grid operations on an hourly scale. In this sense, users can calibrate and validate their model versions by comparing model outputs to historical datasets. Therefore, GO WEST can help researchers to strike a balance between model fidelity (i.e. accuracy) and computational complexity (i.e. runtime). This dataset includes model inputs and outputs from 600 model versions for each 2019, 2020, and 2021. The folder naming convention is as follows: Exp{Number of Nodes}_{Mathematical Formulation}_{Transmission Line Limit Scaling Factor in MW}_{Hurdle Rate Scaling Factor in %}_{Year}. Linear programming is designated with "simple" label whereas mixed-integer linear programming is designated with "coal" label. For example, "Exp100_simple_1000_50_2019" folder contains inputs and outputs from 2019 model version with 100 nodes, linear programming, +1000 MW transmission line limit scaling factor, and +50% hurdle rate scaling factor. GO WEST GitHub repository hosts all raw datasets, processing scripts, and model scripts. Please refer to the README file for a detailed description of the included files.

Economics↗
DOE OSTI2021

Optical calibration of the SNO+ detector in the water phase with deployed sources

SNO+ is a large-scale liquid scintillator experiment with the primary goal of searching for neutrinoless double beta decay, and is located approximately 2 km underground in SNOLAB, Sudbury, Canada. The detector acquired data for two years as a pure water Cherenkov detector, starting in May 2017. During this period, the optical properties of the detector were measured in situ using a deployed light diffusing sphere, with the goal of improving the detector model and the energy response systematic uncertainties. The measured parameters included the water attenuation coefficients, effective attenuation coefficients for the acrylic vessel, and the angular response of the photomultiplier tubes and their surrounding light concentrators, all across different wavelengths. Finally, the calibrated detector model was validated using a deployed tagged gamma source, which showed a 0.6% variation in energy scale across the primary target volume.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Validation Metrics for Fixed Effects and Mixed-Effects Calibration

The modern scientific process often involves the development of a predictive computational model. To improve its accuracy, a computational model can be calibrated to a set of experimental data. A variety of validation metrics can be used to quantify this process. Some of these metrics have direct physical interpretations and a history of use, while others, especially those for probabilistic data, are more difficult to interpret. In this work, a variety of validation metrics are used to quantify the accuracy of different calibration methods. Frequentist and Bayesian perspectives are used with both fixed effects and mixed-effects statistical models. Through a quantitative comparison of the resulting distributions, the most accurate calibration method can be selected. Two examples are included which compare the results of various validation metrics for different calibration methods. It is quantitatively shown that, in the presence of significant laboratory biases, a fixed effects calibration is significantly less accurate than a mixed-effects calibration. This is because the mixed-effects statistical model better characterizes the underlying parameter distributions than the fixed effects model. The results suggest that validation metrics can be used to select the most accurate calibration model for a particular empirical model with corresponding experimental data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Development, calibration, and validation of a novel gray-box energy model for residential split air conditioners

Energy models for vapor compression refrigeration in residential air conditioners have been developed through white-box, gray-box, and black-box methods in decades. However, existing white-box and gray-box models require complicated equations with detailed geometries while black-box models require substantial experimental data. Further, this paper aims to develop and validate a simple gray-box steady-state energy model without the need for detailed geometries, which can accurately predict the cooling capacity and electrical power input based on outdoor and indoor air conditions, and supply airflow rates. First three state variables, including the evaporation and condensation temperatures, and refrigerant mass flowrate, are applied to develop the energy model and are solved by three physical equations, including the energy conservations at the evaporator and condenser, and the refrigerant volume-mass flow correlation of the compressor. Secondly, seven performance property functions related to three state variables and three physical equations are identified and calibrated by simple temperature and power measurements. Finally, field experiments are conducted on a residential air conditioner to calibrate these performance property functions and validate the developed model. The validated results reveal the model can accurately predict the cooling capacity and electrical power input, with the normalized root mean square errors of 2.3% and 0.87% respectively.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Alkali-silica reaction expansion model for confined concrete with stress-dependency and casting direction anisotropy

Alkali-silica reaction (ASR) is a deleterious chemical reaction between alkali hydroxyl ions and types of silica found in some aggregates of concrete. Owners and regulators of nuclear power plants aim to ensure the safety of the concrete structures with optimal maintenance strategies. A new model was developed for predicting the expansion of concrete structures affected by alkali-silica reaction. The model includes a novel combination of existing models as an alkali-silica reaction advancement model, a casting direction anisotropic expansion model, a stress-dependent anisotropic expansion model, and a material property evolution model dependent on the degree of ASR expansion. The model parameters were calibrated based on existing literature data and data generated by previous efforts of this study. The calibrated model was then validated with the experiments carried out in previous efforts of this study. The model was shown to accurately predict the ASR-expansion of large-scale reinforced concrete specimens with confinement.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Defects and anomalies in powder bed fusion metal additive manufacturing

Metal additive manufacturing is a disruptive technology that is revolutionizing the manufacturing industry. Despite its unrivaled capability for directly fabricating metal parts with complex geometries, the wide realization of the technology is currently limited by microstructural defects and anomalies, which could significantly degrade the structural integrity and service performance of the product. Accurate detection, characterization, and prediction of these defects and anomalies have an important and immediate impact in manufacturing fully-dense and defect-free builds. As such, this review seeks to elucidate common defects/anomalies and their formation mechanisms in powder bed fusion additive manufacturing processes. They could arise from raw materials, processing conditions, and post-processing. While defects/anomalies in laser welding have been studied extensively, their formation and evolution remain unclear. Additionally, the existence of powder in powder bed fusion techniques may generate new types of defects, e.g., porosity transferring from powder to builds. Practical strategies to mitigate defects are also addressed through fundamental understanding of their formation. Such explorations enable the validation and calibration of models and ease the process qualification without costly trial-and-error experimentation.

42 ENGINEERING↗
DOE OSTI2021

Plasticity and fracture behavior of Inconel 625 manufactured by laser powder bed fusion: Comparison between as-built and stress relieved conditions

In this work, the influence of stress relief on the plasticity and fracture behavior of Inconel 625 fabricated through laser powder bed fusion additive manufacturing (AM) was investigated. The as-built versus stress relieved microstructures were compared, showing similar grain structures but the presence of ~10 vol % δ phase in the stress relieved condition, and no δ phase in the as-built condition. Mechanical tests under plane strain tension were performed on the stress relieved samples, and an anisotropic plasticity model was calibrated and validated using finite element simulations. Uniaxial and notched tension tests were performed on both as-built and stress relieved samples to probe the effect of stress relief on stress state- and direction-dependent fracture behavior. It was found that on average, the fracture strain of the stress relieved samples along the build direction was 30% higher than that along the perpendicular build direction in the stress state range studied, and the stress relief heat treatment resulted in a 45% decrease in fracture strain. The fracture strain in stress relieved samples was more strongly dependent on stress state than in as-built samples.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Development of new baseline models for U.S. medium office buildings based on commercial buildings energy consumption survey data

Building energy estimation for the building sector under various scenarios are needed for building energy regulation and policy making. This often starts with representative baselines (either empirical baseline or modeled baseline). Commercial Buildings Energy Consumption Survey (CBECS) data is a widely used empirical baseline for U.S. commercial buildings, but none of the existing baseline model are developed to represent the CBECS data. This paper aims to develop new baseline models for the U.S. medium office buildings, which can produce modeled baselines consistent with the CBECS data. Here, we introduced the methodology to create baseline models and the criteria to evaluate the performance of baseline models. The methodology consists of three phases: (1) identification of model inputs, (2) model calibration, and (3) model validation with uncertainty analysis. The evaluation index is the coefficient of variation of the root-mean-square deviation (CV(RMSD)) of site energy use intensities (EUIs) between the modeled baseline and empirical baseline. Then 30 new baseline models for two vintages (pre- and post-1980) and 15 climate zones were created. The evaluation shows that the CV(RMSD) is lower than 0.05 for the modeled baselines produced by the new baseline models. As a comparison, the CV(RMSD) is higher than 0.1 for the existing modeled baselines generated by DOE Commercial Reference Building Models. Further analysis shows that the new baseline models are able to capture the uncertainties of the representative features of existing buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Investigating the Effects of Individual Neutron-Induced Defects in Bipolar Junction Transistors

Here, this study investigates neutron-induced displacement damage in Bipolar Junction Transistors (BJTs) using TCAD models informed by Deep-Level-Transient-Spectroscopy (DLTS) data. These models are calibrated and validated against experimental measurements performed at various neutron fluences. Both npn and pnp transistor configurations are studied to analyze the effects of individual traps on carrier recombination and base leakage currents. In npn transistors, deep traps (0.42 eV from the conduction band) dominate at low voltages, while shallow traps (0.17 eV from the conduction band) become prominent at higher voltages. Conversely, pnp transistors have base leakage current predominantly due to deep-level traps. The study observes a notable trend in trap density versus fluence, characterized by a linear relationship on a log-log scale. These insights into defect evolution under radiation conditions are crucial for optimizing semiconductor device reliability and performance in radiation-prone environments.

42 ENGINEERING↗
DOE OSTI2025

ASME Code change proposal to implement new universal high temperature constitutive models for Section III, Division 5

This report completes work on a universal high temperature constitutive model suitable for use with the ASME Boiler & Pressure Vessel Code Section III, Division 5 rules for the design by inelastic analysis of Class A nuclear reactor components. The goals of this work are to provide a simple model form that adequately captures the high temperature response of materials and can be applied to any future Code material. Additionally, the report describes an automated process for calibrating a model against test data. The idea is to simplify the effort required to generate a constitutive model for an arbitrary material, provided test data is available. This will accelerate the process of qualifying new Code materials in the future. In addition, the report provides calibrated models and detailed validation comparisons to test data for five currently-qualified or soon-to-be qualified materials: 316H, Grade 91, Alloy 800H, Alloy 617, and Alloy 709. The report surveys the available data for the remaining two ASME Class Materials --- 2.25Cr-1Mo and 304H --- concluding that there is enough data data to generate a model for 2.25Cr-1Mo steel provided some additional sources of non-public data can be included in the test database, but that a dedicated cyclic test campaign would be needed for 304H. Supplemental material includes the full text of an ASME Code change proposal to incorporate the models for the four currently-qualified Class A material, detailed validation comparisons to test data for the five material models, and input files for reference implementations of the constitutive models in the NEML and NEML2 modeling frameworks.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗