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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

How sheath properties change with gas pressure: modeling and simulation

Abstract Particle-in-cell simulations are used to study how neutral pressure influences plasma properties at the sheath edge. The high rate of ion–neutral collisions at pressures above several mTorr are found to cause a decrease in the ion velocity at the sheath edge (collisional Bohm criterion), a decrease in the edge-to-center density ratio ( h l factor), and an increase in the sheath width and sheath potential drop. A comparison with existing analytic models generally indicates favorable agreement, but with some distinctions. One is that models for the h l factor need to be made consistent with the collisional Bohm criterion. With this and similar corrections, a comprehensive fluid-based model of the plasma boundary transition is constructed that compares well with the simulation results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Development of ARCHER towards clinical use: modeling and simulation of Varian Linac for radiation therapy dose calculations - 25449

Monte Carlo particle transport methods are well recognized as the most accurate approach to dose calculations for radiation therapy treatment planning. However, the lengthy calculation time has prevented Monte Carlo methods from being applied to dose calculations in the planning of radiation therapy. Recently, the emerging parallel computing hardware accelerators, such as general-purpose Graphics Processing Unit (GPU), have significantly boosted the performance of Monte Carlo codes. The accuracy of a clinical dose engine depends greatly on the accuracy of source term modeling and the methodology of dose calculations. Hence, in this study, an efficient and accurate source model of the Varian TrueBeam{sup R} Linac is developed and integrated with a fast photon-electron transport module of the recently developed high-performance Monte Carlo code, ARCHER. The validity of the source model and the particle transport physics are verified with established dose calculation codes such as EGSnrc and validated with experimental measurements. To demonstrate the capability of the platform in clinical applications, three clinical treatment plans (the lung, breast, and prostate) are simulated and analyzed. From the perspective of performance, the entire simulation of each clinical plan, starting from the source modeling to the end of particle transport within the patient phantom, can be finished in less than one minute using a single Titan X GPU card with 1% statistical error. In comparison, the same cases take the EGSnrc code hundreds of CPU hours to finish. The results suggest that this new version of ARCHER code has been successfully developed and tested as a clinically deployable dose engine for external photon beam IMRT plans in the clinical setting. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2020

Compartmentalized Storage Reservoir Model and Simulation Results

A hypothetical closed (or compartmentalized) reservoir was created based on the numerical mesh used for Wainwright et al. (2013). The reservoir extent is smaller than the original model and limited between the two faults. The caprock properties are assumed in the rest of the storage formation.

Carbon Storage↗
DOE OSTI2019

Evaluation of Clouds in Version 1 of E3SM Atmosphere Model with Satellite and Simulators

This study systematically evaluates clouds simulated by the Energy Exascale Earth System Model (E3SM) Atmosphere Model version one (EAMv1) against satellite and ground-based cloud observations. Both low (1°) and high (0.25°) resolution EAMv1 configurations generally underestimate clouds in low and midlatitutes and overestimate clouds in the Arctic although the error is smaller in the high-resolution model. The underestimate of clouds is due to the underestimate of optically thin to intermediate clouds. EAMv1 overestimates the optically intermediate to thick clouds. Other model errors include the largely under-predicted stratocumulus along the coasts and high clouds over the tropical deep convection regions. The underestimate of thin clouds results in too much LW radiation being emitted to space and too little SW radiation being reflected back to space while the overestimate of optically intermediate and thick clouds leads to too little LW radiation being emitted to space and too much SW radiation being reflected back to space. EAMv1 shows better skill in reproducing the observed distribution of clouds and their properties and has smaller radiatively relevant errors in the distribution of clouds than most of the CFMIP2 models. It produces more supercooled liquid cloud fraction than CAM5 and most CMIP5 models owing to a new ice nucleation scheme and a reduction of ice deposition growth rate. It simulates the diurnal variation of clouds during the summer season at SGP qualitatively well, with both the evolution of shallow clouds and the nocturnal peak in high clouds well captured, however, it largely overestimates the observed magnitude.

Zhang, Yuying↗
DOE OSTI2016

Rate Theory Modeling and Simulation of Silicide Fuel at LWR Conditions

As a promising candidate for the accident tolerant fuel (ATF) used in light water reactors (LWRs), the fuel performance of uranium silicide (U 3 Si 2 ) at LWR conditions needs to be well understood. In this report, rate theory model was developed based on existing experimental data and density functional theory (DFT) calculations so as to predict the fission gas behavior in U 3 Si 2 at LWR conditions. The fission gas behavior of U 3 Si 2 can be divided into three temperature regimes. During steady-state operation, the majority of the fission gas stays in intragranular bubbles, whereas the dominance of intergranular bubbles and fission gas release only occurs beyond 1000 K. The steady-state rate theory model was also used as reference to establish a gaseous swelling correlation of U 3 Si 2 for the BISON code. Meanwhile, the overpressurized bubble model was also developed so that the fission gas behavior at LOCA can be simulated. LOCA simulation showed that intragranular bubbles are still dominant after a 70 second LOCA, resulting in a controllable gaseous swelling. The fission gas behavior of U 3 Si 2 at LWR conditions is benign according to the rate theory prediction at both steady-state and LOCA conditions, which provides important references to the qualification of U 3 Si 2 as a LWR fuel material with excellent fuel performance and enhanced accident tolerance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Review of recent activities with MOOSE, an open-source finite element & finite volume multi-fidelity simulation framework

Modeling and simulation are an increasing part of engineering. This is undoubtedly driven by the high costs of constructing experimental facilities, but also enabled by the exponential increase in computing powers over the last decades, which allows computational models to be closer than ever to reality. One of the main drivers for the development of MOOSE is supporting advanced nuclear reactor simulations. A challenging aspect of modeling advanced nuclear reactors is the plurality of physics involved, including neutronics, thermal hydraulics and fuel performance. These physics are all coupled to some extent and are generally solved in a sequential but iterative fashion. The United States (U.S.) national laboratories have been developing MOOSE, an open source multiphysics framework since its inception at the Idaho National Laboratory (INL) in 2008. This framework enables seamless coupling of multiphysics simulations and facilitates the implementation of new physics and material governing laws. It is continuously expanded with novel numerical methods and new pre-implemented physics module. Numerous applications, developed within the Department of Energy (DOE) laboratories, academia, and industry, including outside of nuclear engineering, have been developed to study specialized physics problems. International collaborations are welcome on this open-source modeling and simulation project.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Baycal

Bayesian Model Calibration (BayCal) toolkit is a software plugin for Risk Analysis Virtual Environment (RAVEN) framework, arming at inversely quantifying the uncertainties associated with simulation model parameters based on available experiment data. BayCal seeks statistical inference of the uncertain input parameters that are consistent with the available measurement data or observed data. The unique feature of BayCal is the capability to be linked with RAVEN to build corresponding calibration workflows for complex multi-physics simulations. In addition to be able to use the machine learning capability of RAVEN to significantly reduce the computational cost of expensive simulation models, another distinctive feature of BayCal is the capability to deal with high-dimensional correlated model outputs, such as time series observations at multiple locations, via principal component analysis (PCA) technique.

Wang, Congjian↗
DOE OSTI2017

Low-Cloud Feedbacks from Cloud-Controlling Factors: A Review

Abstract The response to warming of tropical low-level clouds including both marine stratocumulus and trade cumulus is a major source of uncertainty in projections of future climate. Climate model simulations of the response vary widely, reflecting the difficulty the models have in simulating these clouds. These inadequacies have led to alternative approaches to predict low-cloud feedbacks. Here, we review an observational approach that relies on the assumption that observed relationships between low clouds and the “cloud-controlling factors” of the large-scale environment are invariant across time-scales. With this assumption, and given predictions of how the cloud-controlling factors change with climate warming, one can predict low-cloud feedbacks without using any model simulation of low clouds. We discuss both fundamental and implementation issues with this approach and suggest steps that could reduce uncertainty in the predicted low-cloud feedback. Recent studies using this approach predict that the tropical low-cloud feedback is positive mainly due to the observation that reflection of solar radiation by low clouds decreases as temperature increases, holding all other cloud-controlling factors fixed. The positive feedback from temperature is partially offset by a negative feedback from the tendency for the inversion strength to increase in a warming world, with other cloud-controlling factors playing a smaller role. A consensus estimate from these studies for the contribution of tropical low clouds to the global mean cloud feedback is 0.25 ± 0.18 W m −2 K −1 (90% confidence interval), suggesting it is very unlikely that tropical low clouds reduce total global cloud feedback. Because the prediction of positive tropical low-cloud feedback with this approach is consistent with independent evidence from low-cloud feedback studies using high-resolution cloud models, progress is being made in reducing this key climate uncertainty.

58 GEOSCIENCES↗
DOE OSTI2022

Internal variability and forcing influence model–satellite differences in the rate of tropical tropospheric warming

Climate-model simulations exhibit approximately two times more tropical tropospheric warming than satellite observations since 1979. The causes of this difference are not fully understood and are poorly quantified. Here, we apply machine learning to relate the patterns of surface-temperature change to the forced and unforced components of tropical tropospheric warming. This approach allows us to disentangle the forced and unforced change in the model-simulated temperature of the midtroposphere (TMT). In applying the climate-model-trained machine-learning framework to observations, we estimate that external forcing has produced a tropical TMT trend of 0.25 ± 0.08 K⋅decade −1 between 1979 and 2014, but internal variability has offset this warming by 0.07 ± 0.07 K⋅decade −1 . Using the Community Earth System Model version 2 (CESM2) large ensemble, we also find that a discontinuity in the variability of prescribed biomass-burning aerosol emissions artificially enhances simulated tropical TMT change by 0.04 K⋅decade −1 . The magnitude of this aerosol-forcing bias will vary across climate models, but since the latest generation of climate models all use the same emissions dataset, the bias may systematically enhance climate-model trends over the satellite era. Our results indicate that internal variability and forcing uncertainties largely explain differences in satellite-versus-model warming and are important considerations when evaluating climate models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Modeling and Simulation - Introducing hardware-in-the-loop capabilities to the Human Systems Simulation Laboratory

The DOE Office of Nuclear Energy (DOE-NE) cybersecurity program would like to expand the use of the Human Systems Simulation Laboratory to include capabilities for cybersecurity research and development. Specifically, the introduction of hardware-in-the-loop (HITL) simulation of nuclear power plant architecture into the HSSL will enable researchers and nuclear utilities the ability to identify impacts generated by sophisticated hostile cyber adversaries to identify the consequences of simulated potential attack vectors, and to develop solutions for detecting or preventing these cyber attacks.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2012

Modeling depletion simulations for a high-burnup, highly heterogeneous BWR fuel assembly with scale

Extensive SCALE isotopic validation studies have been performed for various PWR fuel assembly designs and operating conditions, and to a lesser extent for BWR fuel assembly designs. However, no SCALE validation work has been documented for newer, highly heterogeneous BWR fuel assembly designs at high burnup. Isotopic benchmark calculations of the earlier, more geometrically uniform BWR fuel assemblies are less sensitive to simplification of the operating history details and certain modeling assumptions than heterogeneous fuel assemblies, particularly at high burnup. This analysis shows the capability of SCALE to simulate a complex highly heterogeneous SVEA96 Optima fuel assembly and illustrates the importance of the need for the highest possible accuracy and precision in isotope measurements intended to be used as benchmark-quality results. In addition, this analysis quantifies the impact of various modeling assumptions on the results. The sample for which the simulation results are reported here achieved a burnup 62 GWd/MTU and was analyzed as part of the MALIBU Extension program. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Electromagnetic Transient (EMT) Simulation Algorithm for Evaluation of Photovoltaic (PV) Generation Systems

Use of inverter-based resources facilitating renewable energy resources such as photovoltaic (PV) generation is increasing rapidly with decreasing costs and reduced emissions associated. To accommodate such rapid growth of inverter-based resources like PV systems, electromagnetic transient (EMT) simulation models of both PV systems and grids are required to analyze the interaction of PVs in the grid (like the post-event analysis). In addition, the EMT simulation would help with the planning of future power grid with a large number of PVs as well as other inverter-based distributed generation systems. In this paper, the EMT simulation models of PV systems and grids are developed based on the differential algebraic equations (DAEs) representing their EMT dynamics. Furthermore, advanced simulation algorithms including numerical stiffness-based hybrid discretization, DAE clustering and aggregation, multi-order integration, and matrix splitting approaches are applied to accelerate the EMT simulation. The proposed algorithm was applied to 125 PV inverters within 52-bus medium-voltage (MV) distribution grid.

Choi, Jongchan↗
DOE OSTI2019

Updraft Constraints on Entrainment: Insights from Amazonian Deep Convection

Abstract Mixing of environmental air into clouds, or entrainment, has been identified as a major contributor to erroneous climate predictions made by modern comprehensive climate and numerical weather prediction models. Despite receiving extensive attention, the ad hoc treatment of this convective-scale process in global models remains poor. On the other hand, while limited-area high-resolution nonhydrostatic models can directly resolve entrainment, their sensitivity to model resolution, especially with the lack of benchmark mass flux observations, limits their applicability. Here, the dataset from the Observations and Modeling of the Green Ocean Amazon (GoAmazon2014/5) campaign focusing on radar retrievals of convective updraft vertical velocities is used with the aid of cloud-resolving model simulations of four deep convective events over the Amazon to provide insights into entrainment. Entrainment and detrainment are diagnosed from the model simulations by applying the mass continuity equation over cloud volumes, in which grid cells are identified by some thresholds of updraft vertical velocity and cloud condensates, and accounting for the sources and sinks of the air mass. Entrainment is then defined as the environmental air intruding into convective cores causing cloud volume to shrink, while detrainment is defined as cloudy grid cells departing the convective core and causing cloud volume to expand. It is found that the diagnosed entrainment from the simulated convective events is strongly correlated to the inverse of the updraft vertical velocities in convective cores, which enables a more robust estimation of the mixing time scale. This highlights the need for improved observational capabilities for sampling updraft velocities across diverse geographic and cloud conditions. Evaluation of a number of assumptions used to represent entrainment in parameterization schemes is also presented, as contrasted against the diagnosed one.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Modelling and Simulation of a Thermoelectric Heat Pump with Micro-Channel Heat Transfer

Thermoelectric heat pumps (TEHPs) have advantages of modularity and simple design for heating and cooling in some applications. Models of thermoelectric (TE) heat pumps are widely studied. Nevertheless, most existing modeling work focuses on the TE material or air-sourced TE modules. TEHP modeling, especially the relationship between modules and heat exchangers, has not been comprehensively conducted. This work presents a water-to-water TEHP modeling framework that combines Goldsmid’s approach for TE material performance, Gnielinski’s correlation for convective heat transfer, and thermal balance theory for heat exchange networks. This combined framework provides an accurate theoretical analysis of the water-to-water TEHP system. Subsequently, the framework was used to empirically determine TE material properties (electric resistivity, thermal conductivity, and Seebeck coefficient) that minimize modeling errors versus experimentally observed values from the literature. Finally, an additional set of experimental TEHP data was used to validate the model, all with relative absolute deviations of approximately 10% when predicting heating capacity and 10%–20% when forecasting cooling capacity at a 30 K temperature lift. For future work, people can further develop models of TEHPs with an air-based heat sink on one side and water channels on the other side.

Wan, Hanlong↗
DOE OSTI2022

Advanced modeling and simulation of research reactors using dynamic mode decomposition

Full text of publication follows. Due to the ever-increasing safety requirements, the current trend of nuclear reactor analysis is shifting towards high-fidelity multi-physics models, which have a very high computational cost and modelling complexity. As the cost of even a single model run makes it impossible to analyse the behaviour and performance of these models on large-scale commercial plants, it has become even more significant to provide suitable benchmarks to validate and test them extensively. In this sense, research reactors offer a promising solution for the initial validation of high-fidelity models, as they are significantly smaller than commercial reactors and their characteristics are well known. In particular, the reactors of the TRIGA family have been used to assess and validate models and methods for Generation-IV designs, as they have some similar features (such as the dominance of natural convection as cooling mechanism and the difficulties in performing sub-channel analysis using standard codes). Still, the computational requirements of high-fidelity models make them unsuitable for real-time analysis, even following their assessment on research reactors. In this sense, Model Order Reduction (MOR) techniques give an additional strategy to reduce the computational cost of high-fidelity models (whilst preserving sufficient accuracy). In particular, this work focuses on Dynamic Mode Decomposition (DMD), a non-intrusive MOR technique that aims at representing models with explicit temporal dynamics by extracting the time-varying characteristics and the governing structures based only on a set of available data, thus without needing any underlying knowledge of the governing equations. In addition, DMD also computes a low-dimensional surrogate of the dynamic matrix of the system, making it suited for stability analysis and real-time evaluations. This work focuses on the application and validation of the DMD method on the Computational Fluid-Dynamics (CFD) model TRIGA Mark II reactor, also discussing in detail the potentiality of this algorithm as an advanced modelling tool for nuclear reactor analysis. (author)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2014

Final Technical Report for DE-SC0005467

The objective of this project is to gain a comprehensive understanding of the key atmospheric mechanisms and physical processes associated with temperature extremes in order to better interpret and constrain uncertainty in climate model simulations of future extreme temperatures. To achieve this objective, we first used climate observations and a reanalysis product to identify the key atmospheric circulation patterns associated with extreme temperature days over North America during the late twentieth century. We found that temperature extremes were associated with distinctive signatures in near-surface and mid-tropospheric circulation. The orientations and spatial scales of these circulation anomalies vary with latitude, season, and proximity to important geographic features such as mountains and coastlines. We next examined the associations between daily and monthly temperature extremes and large-scale, recurrent modes of climate variability, including the Pacific-North American (PNA) pattern, the northern annular mode (NAM), and the El Niño-Southern Oscillation (ENSO). The strength of the associations are strongest with the PNA and NAM and weaker for ENSO, and also depend upon season, time scale, and location. The associations are stronger in winter than summer, stronger for monthly than daily extremes, and stronger in the vicinity of the centers of action of the PNA and NAM patterns. In the final stage of this project, we compared climate model simulations of the circulation patterns associated with extreme temperature days over North America with those obtained from observations. Using a variety of metrics and self-organizing maps, we found the multi-model ensemble and the majority of individual models from phase 5 of the Coupled Model Intercomparison Project (CMIP5) generally capture the observed patterns well, including their strength and as well as variations with latitude and season. The results from this project indicate that current models are capable of simulating the large-scale meteorological patterns associated with daily temperature extremes and they suggest that such models can be used to evaluate the extent to which changes in atmospheric circulation will influence future changes in temperature extremes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Effect of internal magnetic field on collective flow in heavy ion collisions at intermediate energies

The properties of nuclear matter under extreme conditions of high temperature, density, and isospin asymmetry have attracted wide attention in recent years. At present, heavy ion reactions in combination with corresponding model simulations are one of the most important ways to investigate this subject. It is known that a strong magnetic field can be created in heavy ion collisions. However, its effect on the motion of charged particles is usually neglected in previous transport model simulations. In this work, within the ultrarelativistic quantum molecular dynamics (UrQMD) model, the temporal evolution and spatial distribution of the internal magnetic field are calculated. The magnetic field strength is found to reach about eB ≈ 470 MeV 2 (B ≈ 8 × 10 16 G) for Au + Au collisions at E lab = 1 GeV/nucleon with impact parameter of 7 fm. The magnetic field in Cu + Au collisions exhibits somewhat different spatial distribution from that in Au + Au collisions. The magnetic field is found to affect the directed flow of pions at forward and backward rapidities to some extent, dependent of the impact parameter and beam energy while the effect on the elliptic flow is small. In addition, the effects of the magnetic field on the π – /π + ratio over the whole rapidity range and the elliptic flow difference $v$$^{n}_{2}$–$v$$^{p}_{2}$ between neutrons and protons at forward and backward rapidities are on the same order as those from the nuclear symmetry energy. Here, the $v$$^{n}_{2}$–$v$$^{p}_{2}$ difference in the midrapidity region is not strongly affected by the magnetic field, and the total π – /π + yield ratio is immune to it. It is advisable to include the magnetic field effects in future studies using pion flow, pion yield ratio, and nucleon elliptic flow difference to probe the symmetry energy at super saturation densities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Translating dosimetry of Dibenzo[ def,p ]chrysene (DBC) and metabolites across dose and species using physiologically based pharmacokinetic (PBPK) modeling

We report that Dibenzo[def,p]chrysene (DBC) is an environmental polycyclic aromatic hydrocarbon (PAH) that causes tumors in mice and has been classified as a probable human carcinogen by the International Agency for Research on Cancer. Animal toxicity studies often utilize higher doses than are found in relevant human exposures. Additionally, like many PAHs, DBC requires metabolic bioactivation to form the ultimate toxicant, and species differences in DBC and DBC metabolite metabolism have been observed. To understand the implications of dose and species differences, a physiologically based pharmacokinetic model (PBPK) for DBC and major metabolites was developed in mice and humans. Metabolism parameters used in the model were obtained from experimental in vitro metabolism assays using mice and human hepatic microsomes. PBPK model simulations were evaluated against mice dosed with 15 mg/kg DBC by oral gavage and human volunteers orally microdosed with 29 ng of DBC. DBC and its primary metabolite DBC-11,12-diol were measured in blood of mice and humans, while in urine, the majority of DBC metabolites were obeserved as conjugated DBC-11,12-diol, conjugated DBC tetrols, and unconjugated DBC tetrols. The PBPK model was able to predict the time course concentrations of DBC, DBC-11,12-diol, and other DBC metabolites in blood and urine of human volunteers and mice with reasonable accuracy. Agreement between model simulations and measured pharmacokinetic data in mice and human studies demonstrate the success and versatility of our model for interspecies extrapolation and applicability for different doses. Furthermore, our simulations show that internal dose metrics used for risk assessment do not necessarily scale allometrically, and that PBPK modeling provides a reliable approach to appropriately account for interspecies differences in metabolism and physiology.

59 BASIC BIOLOGICAL SCIENCES↗