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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Lifetime Model Development for Supercritical CO2 CSP Systems

A project to develop an industry-supported lifetime model for concentrating solar power (CSP) systems using supercritical carbon dioxide (sCO 2 ) as a working fluid in a >50% efficiency power block was conducted at Oak Ridge National Laboratory and Brayton Energy, LLC. Four commercial alloys, Haynes 282, Inconel 740H, alloy 625 and Febase Sanicro 25, were selected for evaluation based on industry feedback including three partner alloy manufacturers. The compatibility evaluations focused on two conditions: 300 bar industrial grade (IG) sCO 2 using 500-h cycles and 1 bar sCO 2 using 10-h cycles to simulate the solar duty cycle. The last two years of the project focused on completing long-term exposures (10-15 kh) at 750°C. In addition, companion experiments were conducted in 1 bar IG CO 2 using 500-h cycles and in non-CO 2 environments (air and O 2 ) to better understand the effects of pressure and CO 2 . To understand the effect of sCO 2 on mechanical properties, creep and creep-fatigue rupture testing in sCO 2 and pressurized air was conducted on alloy tubes at 750°C. In creep, no sCO 2 debit was noted for the four alloys. In creep-fatigue, alloy 740H specimens showed a >2X debit in lifetime in sCO 2 compared to pressurized air with an 8 min cycle.

14 SOLAR ENERGY↗
DOE OSTI2021

Multi-objective Eco-Routing Model Development and Evaluation for Battery Electric Vehicles.

This paper develops a multi-objective eco-routing algorithm (combined eco- and travel time-optimum routing) for battery electric vehicles (BEVs) and internal combustion engine vehicles (ICEVs) and investigates the network-wide impacts of the proposed multi-objective Nash optimum (user equilibrium) traffic assignment on a large-scale network. Eco-routing is a technique that finds the most energy efficient route. ICEV and BEV energy consumption patterns are significantly different with regard to their sensitivity to driving cycles. Unlike ICEVs, BEVs are more energy efficient on low-speed arterial trips compared to highway trips. Different energy consumption patterns require different eco-routing strategies for ICEVs and BEVs. This study found that single objective eco-routing could significantly reduce the energy consumption of BEVs but also significantly increase their average travel time. Consequently, the study developed a multi-objective routing model (eco- and travel time-routing) to improve both energy and travel time measures. The model introduced a link cost function that uses the specification of the value of time and the cost of fuel/energy. The simulation study found that multi-objective routing could reduce the BEV energy consumption by 13.5%, 14.2%, 12.9%, and 10.7%, as well as ICEV fuel consumption by 0.1%, 4.3%, 3.4%, and 10.6% for “not congested, “slightly congested,” “moderately congested,” and “highly congested” conditions, respectively. The study also found that multi-objective user equilibrium routing reduced the average vehicle travel time by up to 10.1% compared to the standard user equilibrium traffic assignment for highly congested conditions, producing a solution closer to the system optimum traffic assignment. The results indicate that the proposed multi-objective eco-routing strategy can reduce vehicle fuel/energy consumption effectively with minimum impacts on travel times for both BEVs and ICEVs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Ring Model Development and Validation for Prismatic HTGR Core Thermal-hydraulics and Safety Analysis

Because of the complex core geometry, prismatic high temperature gas-cooled reactors (prismatic HTGRs) often exhibit complex thermal fluid behaviors during both normal operating and transient conditions. Most HTGR designs rely on passive safety system for decay heat removal, such as the reactor cavity cooling system (RCCS). During postulated accidents like Pressurized Conduction Cooldown (PCC) event, the decay heat is first radially transferred from the core region to the reactor vessel outer surface, then to the RCCS cooling panels. The peak fuel temperature is controlled by heat transfer mechanisms with two distinctive characteristic length scales, i.e., the core-wise effective heat conduction and local heat conduction in the fuel pellet scale. As both length scales are essential to determine the fuel temperature, from the modeling perspective, computer codes must be able to capture heat transfer in both scales. This is challenging for both computational fluid dynamics (CFD) tools because of extremely large amount of computation resources required, and for system analysis codes because of the challenge to model the complex core geometry. Under the support of DOE-NE’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, efforts have been pursued to support HTGR technology development and its modeling and simulation needs. There is a particular need for advanced modeling and simulation tools to predict thermal-fluid behavior during safety-related transients. In our previous studies, the ring model was adopted in SAM and further developed to simulate the normal operating condition and a PCC event using the MHTGR-350 design of General Atomics as the reference design. This current work represents a continuation of these previous efforts, and the focus is to critically review and examine simplifications and assumptions made to develop the ring model, and to perform code validation using experimental data from an integral-effect test facility, the High Temperature Test Facility (HTTF) at the Oregon State University. In this study, the test PG-27 from the HTTF test suite was selected for code validation purpose. The test PG-27 is a transient test designed to simulate the PCC event of the MHTGR design. Very good agreements between SAM prediction and experimental measurements were found in both coolant and solid structure temperatures during the transient.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Geomagnetically Induced Current Field Test on Large Grid-Connected Power Transformers: Analysis, Model Development, and Simulations

Geomagnetic-induced current (GIC) flow in power grids can cause undesirable effects such as transformer overheating, harmonics, higher reactive power demand, etc. Many simulation models have been developed to study these effects, but real-world verification on modern transformer designs is rare. Here, this paper presents the first long-duration GIC field test in the U.S. performed on high-voltage, grid-connected transformers featuring winding clamps and tie rods instead of conventional tie bars. Field measurements were taken to evaluate GIC effects. These measurements also aided in developing and validating thermal and electromagnetic transient (EMT) models of the transformers. During the test, significant current and voltage distortions were observed along with considerable transformer reactive power losses. Analysis of the field measurements showed that the transformers’ hottest spot was at the inner windings, and their k-factors were close to factory test and software default values. Thermal simulations indicated that the transformers would not violate their thermal limits even for a GIC waveform that peaks at about 200 A/phase. EMT simulations revealed that increased transformer loading may reduce GIC-induced reactive power demand and harmonics in certain scenarios. The study also highlighted potential inaccuracies in using the k-factor method to calculate transformer reactive power losses.

EMTDC↗
DOE OSTI2013

The Lifecycle of Bayesian Network Models Developed for Multi-Source Signature Assessment of Nuclear Programs

The Multi-Source Signatures for Nuclear Programs project, part of Pacific Northwest National Laboratory’s (PNNL) Signature Discovery Initiative, seeks to computationally capture expert assessment of multi-type information such as text, sensor output, imagery, or audio/video files, to assess nuclear activities through a series of Bayesian network (BN) models. These models incorporate knowledge from a diverse range of information sources in order to help assess a country’s nuclear activities. The models span engineering topic areas, state-level indicators, and facility-specific characteristics. To illustrate the development, calibration, and use of BN models for multi-source assessment, we present a model that predicts a country’s likelihood to participate in the international nuclear nonproliferation regime. We validate this model by examining the extent to which the model assists non-experts arrive at conclusions similar to those provided by nuclear proliferation experts. We also describe the PNNL-developed software used throughout the lifecycle of the Bayesian network model development.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2025

Material Control & Accounting Modeling Developments for a Generic TRISO Fuel Fabrication Facility

The Material Protection, Accounting, and Control Technologies (MPACT) program utilizes modeling and simulation to assess Material Control and Accountability (MC&A) concerns for a variety of nuclear facilities. The Sandia National Laboratories (SNL)-developed Fissile Facility Flow Modeler (F3M) and the Material Accountancy Performance Indicator Toolkit (MAPIT) have historically provided MPACT with the capability to analyze MC&A approaches for nuclear facilities to determine that these facilities meet regulatory requirements. In FY25, improvements on the application of the F3M and MAPIT tools to simulate a generic TRi-structural ISOtropic (TRISO) fuel fabrication facility were successfully completed. The generic TRISO fuel fabrication F3M model captures the entire TRISO fuel fabrication process and is adaptable to any final TRISO fuel form, including spherical pebbles and cylindrical compacts loaded into graphite prismatic blocks. Comprehensive F3M/MAPIT functionality for the generic TRISO fuel fabrication model has been demonstrated. This modeling framework can be applied to support the U.S. Department of Energy and domestic nuclear industry stakeholders in developing MC&A approaches for advanced fuel fabrication facilities via statistical tests that demonstrate compliance to regulatory requirements.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Predictive Model for Particle Residence Time Distributions in Riser Reactors. Part 1: Model Development and Validation

Here in this computational study, we model the mixing of biomass pyrolysis vapor with solid catalyst in circulating riser reactors with a focus on the determination of solid catalyst residence time distributions (RTDs). A comprehensive set of 2D and 3D simulations were conducted for a pilot-scale riser using the Eulerian-Eulerian two-fluid modeling framework with and without sub-grid-scale models for the gas-solids interaction. A validation test case was also simulated and compared to experiments, showing agreement in the pressure gradient and RTD mean and spread. For simulation cases, it was found that for accurate RTD prediction, the Johnson and Jackson partial slip solids boundary condition was required for all models and a sub-grid model is useful so that ultra high resolutions grids that are very computationally intensive are not required. Finally, we discovered a 2/3 scaling relation for the RTD mean and spread when comparing resolved 2D simulations to validated unresolved 3D sub-grid-scale model simulations.

09 BIOMASS FUELS↗
DOE OSTI2026

Automated and Accelerated Continuum Model Development for Electrochemical Systems (Abbreviated Report)

Despite the availability of computational resources and advancements in numerical computing capabilities, the multiscale models core to understanding, predicting the behaviors of, and designing energy and environmental systems involving porous media are still 1.) developed through by-hand derivations and 2.) limited by many methodological assumptions employed during model derivation. As a result, the advancement of effective media models for engineering DOE mission-critical systems (e.g., batteries, flow batteries, electrolyzers, geothermal systems, subsurface chemical storage systems, etc.) is slow (i.e., it takes years for models to traverse from stages of “development” to “practical utilization”), hindering our ability to effectively optimize such systems and stay at the cutting-edge of the energy frontier. In this work, we aimed to address these limitations by 1.) automating and accelerating multiscale model derivation via symbolic computing and 2.) develop a novel multiscale modeling methodology for flow and transport through porous media that avoids the typical assumptions hindering previous models. As a result of our efforts, we 1.) developed a hybrid symbolic-numeric code called Fouriera for fully-automating the implementation of multiphysical and phase-field models via the Fourier spectral method for materials science research, and 2.) advanced a multiscale modeling methodology called The Method of Finite Averages that rigorously predicts the behaviors of flow and transport through heterogeneous porous media under the influence of non-local effects and strong advection. Ultimately, these deliverables provide strong foundations from which further efforts can advance multiscale modeling tools and capabilities that do not intrinsically rely on 1.) the speed and mathematical capabilities of humans, nor 2.) the methodological assumptions limiting current models.

36 MATERIALS SCIENCE↗
DOE OSTI2026

TCAD-Machine Learning Enabled TID Compact Model Development for Commercial SiC MOSFET

We propose a TCAD (Technology Computer Aided Design)-machine learning coupled approach that combines a TCAD tool (Charon), optimization/uncertainty quantification tool (Dakota), surrogate models, and Bayesian learning capabilities. The coupling approach is used for accurate modeling and calibration of total ionizing dose (TID) induced threshold voltage (V th ) shifts in Commercial-Off-The-Shelf (COTS) semiconductor devices and to develop physics-informed TID compact models. This versatile approach is applied to model the TID effect in an exemplar COTS 3.3 kV SiC power MOSFET (Metal-Oxide-Semiconductor Field-Effect Transistor). With the Charon-Dakota coupling, we can determine key device geometry and doping values based on device physics, which are difficult to obtain or not available for COTS devices but important for TCAD simulation; additionally, we can efficiently generate thousands of simulation results in a large parameter space, which makes it possible to develop data-driven surrogate models and perform Bayesian calibration. Utilizing the full tool-coupling approach, we achieve calibrated TCAD simulation models that accurately capture the average TID-induced V th shifts behavior with total doses and V th shifts saturation at high doses as observed in experimental data. More importantly, the calibrated TCAD simulations are obtained with determined TID model parameters (e.g., hole trap density and capture cross section) values that contain well quantified uncertainties. Furthermore, we can isolate and quantify the noises that are not captured by the TCAD models but exist in the measured data due to measurements and devices variabilities. Lastly, the calibrated surrogate models are used to develop physics-informed TID compact models. The method is generalizable to other devices and/or radiation conditions with few modifications and can provide well-determined uncertainties.

COTS↗
DOE OSTI2016

High-Burnup-Structure (HBS): Model Development in MARMOT for HBS Formation and Stability Under Radiation and High Temperature

A detailed phase field model for the formation of High Burnup Structure (HBS) was developed and implemented in MARMOT. The model treats the HBS formation as an irradiation-induced recrystallization. The model takes into consideration the stored energy associated with dislocations formed under irradiation. The accumulation of radiation damage, hence, increases the system free energy and triggers recrystallization. The increase in the free energy due to the formation of new grain boundaries is offset by the reduction in the free energy by creating dislocation-free grains at the expense of the deformed grains. The model was first used to study the growth of recrystallized flat and circular grains. The model reults were shown to agree well with theorrtical predictions. The case of HBS formation in UO2 was then investigated. It was found that a threshold dislocation density of (or equivalently a threshold burn-up of 33-40 GWd/t) is required for HBS formation at 1200K, which is in good agrrement with theory and experiments. In future studies, the presence of gas bubbles and their effect on the formation and evolution of HBS will be considered.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A novel Variable Refrigerant Flow (VRF) heat recovery system model: Development and validation

As one of the latest emerging HVAC technologies, the Variable Refrigerant Flow (VRF) system with heat recovery (HR) configurations has obtained extensive attention from both the academia and industry. Compared with the conventional VRF systems with heat pump (HP) configurations, VRF-HR is capable of recovering heat from cooling zones to heating zones and providing simultaneous cooling and heating operations. Moreover, this could lead to substantial energy saving potential and more flexible zonal control. In this paper, a novel model is developed to simulate the energy performance of VRF-HR systems. It adheres to a more physics-based development with the ability to simulate the refrigerant loop performance and consider the dynamics of more operational parameters, which is crucial for representing more advanced control logics. Another key feature of the model is the introduction of component-level curves for indoor units and outdoor units instead of overall performance curves for the entire system, and thus it requires much fewer user-specified performance curves as model inputs. The validation study reflects good agreements between the simulated energy use from the new VRF-HR model and the laboratory measurement data across all operational modes at sub-hourly time steps. The model has been adopted in the official release of the EnergyPlus simulation program since Version 8.6, which enables more accurate and robust assessments of VRF-HR systems to support their applications in energy retrofit of existing buildings or design of zero-net-energy buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Representing Small Commercial Building Faults in EnergyPlus, Part I: Model Development

Small commercial buildings (those with less than approximately 1000 m2 of total floor area) often do not have access to cost-effective automated fault detection and diagnosis (AFDD) tools for maintaining efficient building operations. AFDD tools based on machine-learning algorithms hold promise for lowering cost barriers for AFDD in small commercial buildings; however, such algorithms require access to high-quality training data that is often difficult to obtain. To fill the gap in this research area, this study covers the development (Part I) and validation (Part II) of fault models that can be used with the building energy modeling software EnergyPlus® and OpenStudio® to generate a cost-effective training data set for developing AFDD algorithms. Part I (this paper) presents a library of fault models, including detailed descriptions of each fault model structure and their implementation with EnergyPlus. This paper also discusses a case study of training data set generation, representing an actual building.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Surrogate Model Development of Spent Fuel Degradation for Repository Performance Assessment

In model simulations of deep geologic repositories, UO 2 fuel matrix degradation typically begins as soon as the waste package breaches and groundwater contacts the fuel surface. The initial degradation rate depends on the timing of these events, burnup of the fuel, temperature, and concentrations of dissolved reactants. Estimating the initial rate of degradation is fairly straightforward, but as UO 2 corrosion products precipitate on the fuel surface and the movement of dissolved species between the fuel surface and environment is impeded by the precipitated solids, the rate is more difficult to quantify. At that point, calculating the degradation rate becomes a reactive-transport problem in which a large number of equations must be solved by iteration for a large number of grid cells at each time step. The consequence is that repository simulations, which are already expensive, become much more expensive, especially when hundreds or thousands of waste packages breach. The Fuel Matrix Degradation (FMD) model is the process model of the Spent Fuel and Waste Science and Technology (SFWST) campaign of the US Department of Energy (DOE). It calculates spent fuel degradation rates as a function of radiolysis, redox reactions, electrochemical reactions, alteration layer growth, and diffusion of reactants through the alteration layer. Like other similar fuel degradation process models, it is a complicated model requiring a large number of calculations and iterations at each time step.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Defect Detection Model Development for Large Scale Thermoplastic Printing

Large-format additive manufacturing (LFAM) offers several advantages, including high throughput, cost-effective pellet-fed extrusion, and the capability to produce large-scale structures. The main pain points of LFAM include start and stops during the printing process, warpage, long layer times that lead to bead freezing, and bead separation due to shrinkage. These issues can lead to overfill, underfill and buildup of material in different sections of a print. This can lead to hidden defects embedded within the printed layers, or even ultimate failure of the printed structure. This ensures these defects can only be identified through nondestructive testing (NDT) inspection methods after printing, which can be timely and costly. Aligned Vision work specializes in 2D projectors with visual inspection systems and machine learning. Traditionally system is used for composite layup and layup inspections. In this work we used the LFAM system at Oak Ridge National Laboratory to create defect rich samples. The Aligned Vision inspection system then performed in-situ monitoring of the print process after each part was printed. This in-situ vision inspection system was used to develop a layer-by-layer inspection model that looks for overfill, underfill, and the buildup of defects using only a camera-based vision system. This leads to the assurance of high-quality production components.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Trait-Based Representation of Biological Nitrification: Model Development, Testing, and Predicted Community Composition

Trait-based microbial models show clear promise as tools to represent the diversity and activity of microorganisms across ecosystem gradients. These models parameterize specific traits that determine the relative fitness of an “organism” in a given environment, and represent the complexity of biological systems across temporal and spatial scales. In this study we introduce a microbial community trait-based modeling framework (MicroTrait) focused on nitrification (MicroTrait-N) that represents the ammonia-oxidizing bacteria (AOB) and ammonia-oxidizing archaea (AOA) and nitrite-oxidizing bacteria (NOB) using traits related to enzyme kinetics and physiological properties.We used this model to predict nitrifier diversity, ammonia (NH3) oxidation rates, and nitrous oxide (N2O) production across pH, temperature, and substrate gradients. Predicted nitrifier diversity was predominantly determined by temperature and substrate availability, the latter was strongly influenced by pH. The model predicted that transient N2O production rates are maximized by a decoupling of the AOB and NOB communities, resulting in an accumulation and detoxification of nitrite to N2O by AOB. However, cumulative N2O production (over 6 month simulations) is maximized in a system where the relationship between AOB and NOB is maintained.When the reactions uncouple, the AOB become unstable and biomass declines rapidly, resulting in decreased NH3 oxidation and N2O production. We evaluated this model against site level chemical datasets from the interior of Alaska and accurately simulated NH3 oxidation rates and the relative ratio of AOA:AOB biomass. The predicted community structure and activity indicate (a) parameterization of a small number of traits may be sufficient to broadly characterize nitrifying community structure and (b) changing decadal trends in climate and edaphic conditions could impact nitrification rates in ways that are not captured by extant biogeochemical models.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

U(VI) bioreduction with emulsified vegetable oil as the electron donor-- Microcosm tests and model development

Microcosm tests were conducted to study U(VI) bioreduction in contaminated sediments with emulsified vegetable oil (EVO) as the electron donor. In the microcosms, EVO was degraded by indigenous microorganisms and stimulated Fe, U, and sulfate bioreduction, and methanogenesis. Removal of aqueous U occurred concurrently with sulfate reduction, with more reduction of total U in the case of higher initial sulfate concentrations. X-ray absorption near-edge spectroscopy (XANES) analysis confirmed U(VI) reduction to U(IV). As the acetate concentration peaked in 10~20 days in oleate microcosms, the maximum was reached in 100~120 days in the EVO microcosms, indicating that EVO hydrolysis was rate-limiting. The acetate accumulation was sustained over 50 days longer in the oleate and EVO than in the ethanol microcosms, suggesting that acetate-utilizing methanogenesis was slower in the cases of oleate and EVO. Both slow hydrolysis and methanogenesis could contribute to potential sustained bioreduction in field application. Biogeochemical models were developed to couple degradation of EVO, production and oxidation of long-chain fatty acids, glycerol, acetate, and hydrogen, reduction of Fe(III), U(VI) and sulfate, and methanogenesis with growth and decay of microbial functional groups. The models were used to simulate the coupled processes in a field test in a companion article.

Tang, Guoping↗
DOE OSTI2012

Model development for household waste prevention behaviour

Highlights: Black-Right-Pointing-Pointer We model waste prevention behaviour using structure equation modelling. Black-Right-Pointing-Pointer We merge attitude-behaviour theories with wider models from environmental psychology. Black-Right-Pointing-Pointer Personal norms and perceived behaviour control are the main behaviour predictors. Black-Right-Pointing-Pointer Environmental concern, moral obligation and inconvenience are the main influence on the behaviour. Black-Right-Pointing-Pointer Waste prevention and recycling are different dimensions of waste management behaviour. - Abstract: Understanding waste prevention behaviour (WPB) could enable local governments and decision makers to design more-effective policies for reducing the amount of waste that is generated. By merging well-known attitude-behaviour theories with elements from wider models from environmental psychology, an extensive cognitive framework that provides new and valuable insights is developed for understanding the involvement of individuals in waste prevention. The results confirm the usefulness of the theory of planned behaviour and of Schwartz's altruistic behaviour model as bases for modelling participation in waste prevention. A more elaborate integrated model of prevention was shown to be necessary for the complete analysis of attitudinal aspects associated with waste prevention. A postal survey of 158 respondents provided empirical support for eight of 12 hypotheses. The proposed structural equation indicates that personal norms and perceived behaviour control are the main predictors and that, unlike the case of recycling, subjective norms have a weak influence on WPB. It also suggests that, since social norms have not presented a direct influence, WPB is likely to be influenced by a concern for the environment and the community as well by perceptions of moral obligation and inconvenience. Results also proved that recycling and waste prevention represent different dimensions of waste management behaviour requiring particular approaches to increase individuals' engagement in future policies.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗