Full configuration interaction simulations of exchange coupled donors in silicon in an effective mass theory framework.
Abstract not provided.
Joecker, Benjamin↗
SEARCH · Engineering Papers
Results for “Coupled Simulation”
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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Numerical Study of Hydraulic Stimulations at the Utah-FORGE Geothermal Site with Coupled THM+E Simulations
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Energy - Geothermal↗
Scaling ductility from microscale to bulk by coupling crystal plasticity simulations with 3D convolutional neural networks
3D convolutional neural network approach to multi-scale stress/strain relationships in crystallized materials
36 - MATERIALS SCIENCE↗
Using Satellite‐Derived Fire Arrival Times for Coupled Wildfire‐Air Quality Simulations at Regional Scales of the 2020 California Wildfire Season
Abstract Wildfire frequency has increased in the Western US over recent decades, driven by climate change and a legacy of forest management practices. Consequently, human structures, health, and life are increasingly at risk due to wildfires. Furthermore, wildfire smoke presents a growing hazard for regional and national air quality. In response, many scientific tools have been developed to study and forecast wildfire behavior, or test interventions that may mitigate risk. In this study, we present a retrospective analysis of 1 month of the 2020 Northern California wildfire season, when many wildfires with varying environments and behavior impacted regional air quality. We simulated this period using a coupled numerical weather prediction model with online atmospheric chemistry, and compare two approaches to representing smoke emissions: an online fire spread model driven by remotely sensed fire arrival times and a biomass burning emissions inventory. First, we quantify the differences in smoke emissions and timing of fire activity, and characterize the subsequent impact on estimates of smoke emissions. Next, we compare the simulated smoke to surface observations and remotely sensed smoke; we find that despite differences in the simulated smoke surface concentrations, the two models achieve similar levels of accuracy. We present a detailed comparison between the performance and relative strengths of both approaches, and discuss potential refinements that could further improve future simulations of wildfire smoke. Finally, we characterize the interactions between smoke and meteorology during this event, and discuss the implications that increases in regional smoke may have on future meteorological conditions.
54 ENVIRONMENTAL SCIENCES↗
Description of historical and future projection simulations by the global coupled E3SMv1.0 model as used in CMIP6
Abstract. This paper documents the experimental setup and general features of the coupled historical and future climate simulations with the first version of the US Department of Energy (DOE) Energy Exascale Earth System Model (E3SMv1.0). The future projected climate characteristics of E3SMv1.0 at the highest emission scenario (SSP5-8.5) designed in the Scenario Model Intercomparison Project (ScenarioMIP) and the SSP5-8.5 greenhouse gas (GHG) only forcing experiment are analyzed with a focus on regional responses of atmosphere, ocean, sea ice, and land. Due to its high equilibrium climate sensitivity (ECS of 5.3 K), E3SMv1.0 is one of the Coupled Model Intercomparison Project phase 6 (CMIP6) models with the largest surface warming by the end of the 21st century under the high-emission SSP5-8.5 scenario. The global mean precipitation change is highly correlated with the global temperature change, while the spatial pattern of the change in runoff is consistent with the precipitation changes. The oceanic mixed layer generally shoals throughout the global ocean. The annual mean Atlantic meridional overturning circulation (AMOC) is overly weak with a slower change from ∼ 11 to ∼ 6 Sv (Sverdrup) relative to other CMIP6 models. The sea ice, especially in the Northern Hemisphere, decreases rapidly with large seasonal variability. We detect a significant polar amplification in E3SMv1.0 from the atmosphere, ocean, and sea ice. Comparing the SSP5-8.5 all-forcing experiment with the GHG-only experiment, we find that the unmasking of the aerosol effects due to the decline of the aerosol loading in the future projection period causes transient accelerated warming in the all-forcing experiment in the first half of the 21st century. While the oceanic climate response is mainly controlled by the GHG forcing, the land runoff response is impacted primarily by forcings other than GHG over certain regions, e.g., southern North America, southern Africa, central Africa, and eastern Asia. However, the importance of the GHG forcing on the land runoff changes grows in the future climate projection period compared to the historical period.
54 ENVIRONMENTAL SCIENCES↗
Coupled multi-disciplinary simulation of composite engine structures in propulsion environment
A computational simulation procedure is described for the coupled response of multi-layered multi-material composite engine structural components which are subjected to simultaneous multi-disciplinary thermal, structural, vibration, and acoustic loadings including the effect of hostile environments. The simulation is based on a three dimensional finite element analysis technique in conjunction with structural mechanics codes and with acoustic analysis methods. The composite material behavior is assessed at the various composite scales, i.e., the laminate/ply/constituents (fiber/matrix), via nonlinear material characterization model. Sample cases exhibiting nonlinear geometrical, material, loading, and environmental behavior of aircraft engine fan blades, are presented. Results for deformed shape, vibration frequency mode shapes, and acoustic noise emitted from the fan blade, are discussed for their coupled effect in hot and humid environments. Results such as acoustic noise for coupled composite-mechanics/heat transfer/structural/vibration/acoustic analyses demonstrate the effectiveness of coupled multi-disciplinary computational simulation the various advantages of composite materials compared to metals.
Chamis, Christos C.↗
Coupled multi-disciplinary simulation of composite engine structures in propulsion environment
A computational simulation procedure is described for the coupled response of multi-layered multi-material composite engine structural components which are subjected to simultaneous multi-disciplinary thermal, structural, vibration, and acoustic loadings including the effect of hostile environments. The simulation is based on a three dimensional finite element analysis technique in conjunction with structural mechanics codes and with acoustic analysis methods. The composite material behavior is assessed at the various composite scales, i.e., the laminate/ply/constituents (fiber/matrix), via a nonlinear material characterization model. Sample cases exhibiting nonlinear geometrical, material, loading, and environmental behavior of aircraft engine fan blades, are presented. Results for deformed shape, vibration frequency, mode shapes, and acoustic noise emitted from the fan blade, are discussed for their coupled effect in hot and humid environments. Results such as acoustic noise for coupled composite-mechanics/heat transfer/structural/vibration/acoustic analyses demonstrate the effectiveness of coupled multi-disciplinary computational simulation and the various advantages of composite materials compared to metals.
Chamis, Christos C.↗
FireCat
FireCat performs multiscale simulations by coupling ab initio microkinetic simulations from CatMAP with two-dimensional continuum transport simulations from EchemFEM (Firedrake). This coupling is performed in an iterative fashion. The examples provided here are specific to electrochemical CO2 reduction to CO on Au electrodes.
Roy, Thomas↗
Coupled Multiphysics Primary Loop Simulations of the Mk1-FHR in the Virtual Test Bed
To support advanced reactor demonstrations, the Virtual Test Bed (VTB) [1] repository hosts a wide range of challenge problems for showcasing modeling and simulation capabil- ities in support of advanced reactor demonstrations. This document presents a coupled multiphysics model of the Mark 1 pebble-bed fluoride-salt-cooled high-temperature reactor (PB-FHR). The analysis leverages NEAMS tools (Griffin [2], SAM [3], Pronghorn [4], and the MOOSE [5] heat con- duction module) for core neutronics, thermal hydraulics of the core and primary loop, and multiscale fuel performance simulations. The analysis was entirely created by coupling standalone simulations of the reactor that were previously available on the VTB. All input files and documentation de- veloped for this example are available on the VTB website: mooseframework.inl.gov/ virtual_test_bed/ . This model was featured in the National Reactor Innovation Cen- ter Tech Talk presented in December 2021.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
HabSim: A Modular Coupled Virtual Testbed for Simulating ExtraTerrestrial Habitat Systems
Extraterrestrial habitats involve a tightly coupled combination of hardware, software, and humans while operating in an unforgiving environment that poses many risks, both anticipated and unanticipated. Traditional approaches with such systems of systems focus on reliability, robustness, and redundancy. These approaches seek to avoid failure rather than reduce overall risk. However, faults are inevitable, and understanding and managing the complex and emergent behavior and cascading events of such a complex system is critical. This study describes the development of HabSim, a computational simulation environment intended to support research to establish the know-how to design and operate resilient and autonomous SmartHabs. HabSim is a modular virtual testbed composed of many of the coupled dynamic systems expected in a typical SmartHab. A heterogeneous set of interconnected physics-based and phenomenological models is used to represent the essential functions of a SmartHab. HabSim further considers disruptions and models damage and repair of certain components. This paper discusses a) system and subsystem requirements of the deep space habitat included in the HabSim platform; b) architectural choices made in response to the requirements; c) technical considerations for developing, verifying, configuring, and executing HabSim; and d) illustrative sample results from a simulation of a representative disruption scenario.
Mohsen Azimi↗
Coupled SAM/Griffin Model of a Reference Fluoride-Salt-Cooled High-Temperature Reactor for Multi-Physics Simulations
A multi-physics coupled simulation model of a reference pebble bed fluoride-salt-cooled high-temperature reactor (PB-FHR) has been developed with SAM and Griffin computer codes for transient safety analysis. The reference problem of a prototypical reactor design serves as the foundation for the U.S. NRC (Nuclear Regulatory Commission) to verify the adequacy of computer codes and evaluation models for specific reactor types. In this work, the previously developed SAM model for PB-FHR primary loop has been updated for the coupled simulation. The updated SAM PB-FHR model includes a 2-D axial symmetric core region and external core components in 0-D/1-D. In addition to the primary loop, a detailed model of the RCCS (reactor cavity cooling system) is added. The 2-D and 1-D domains are tightly coupled using the single-solve approach developed in SAM. In the pebble bed region, the SAM multiscale explicit pebble model is applied to calculate the pebble and TRISO fuel kernel temperatures. The Griffin model used in this work is based on a model developed at Idaho National Laboratory in collaboration with the U.S. NRC. The Griffin neutronics model and SAM thermal hydraulics model is coupled with the Comprehensive Reactor Analysis Bundle (CRAB or alternately BlueCRAB) application. Both steady-state and transient scenarios are simulated to demonstrate the model's suitability for multi-physics simulations of PB-FHR transients.
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
Performance estimation of resonance-enhanced dual-buoy wave energy converter using coupled time-domain simulation
This article presents the modeling methodology and performance evaluation of the resonance-enhanced dual-buoy WEC (Wave Energy Converter) by HEM (hydrodynamic & electro-magnetic) fully-coupled-dynamics time-domain-simulation program. The numerical results are systematically compared with the authors’ 1/6-scale experiment. With a direct-drive linear generator, the WEC consists of dual floating cylinders and a moon-pool between the cylinders, which can utilize three resonance phenomena from moon-pool dynamics as well as heave motions of inner and outer buoys. The contact and friction between the two buoys observed in the experiment are also properly modeled in the time-domain simulation by the Coulomb-friction model. Moon-pool resonance peaks significantly exaggerated in linear potential theory are empirically adjusted through comparisons with measured values. A systematic comparative study between the simulations and experiments with and without PTO (power-take-off) is conducted, and the relative heave displacements/velocities and power outputs are well matched. Then, parametric studies are carried out with the simulation program to determine optimum generator parameters. The performance with various wave conditions is also assessed.
16 TIDAL AND WAVE POWER↗
Simulation of an inductively coupled plasma with a two-dimensional Darwin particle-in-cell code
A two-dimensional particle-in-cell code for the simulation of low-frequency electromagnetic processes in laboratory plasmas has been developed. The code uses the Darwin method omitting the electromagnetic wave propagation. The Darwin method separates the electric field into solenoidal and irrotational parts. The solenoidal electric field is calculated with a new algorithm based on the equation for the electric field vorticity. The system of linear equations in the new algorithm is readily solved using a standard iterative method. The irrotational electric field is the electrostatic field calculated with the direct implicit algorithm. The code is verified by reproducing the two-stream instability, electron electromagnetic waves, and shear Alfvén waves. The code is applied to simulate an inductively coupled plasma with the driving current flowing around the plasma region. In this simulation, a ring of dense plasma forms at the initial stage but then the density becomes maximal in the center and decays monotonically toward the walls. The skin effect is in the transitional mode between local and non-local, and the electron velocity distribution function is non-Maxwellian.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Sequentially coupled flow and geomechanical simulation with a discrete fracture model for analyzing fracturing fluid recovery and distribution in fractured ultra-low permeability gas reservoirs
More accurate characterization and prediction of the in-situ distribution of fracturing fluid in fractured reservoirs are needed for enhancing well productivity. In this study, an implicit-sequentially coupled flow/geomechanics simulator incorporating an efficient discrete fracture model is developed to model fluid distribution and recovery performance of ultra-low permeability gas reservoirs. The finite-volume and finite-element methods are used for space discretization of the flow and geomechanics equations, respectively, while the backward Euler method is employed for time discretization. The flow and geomechanics equations are solved sequentially based on fixed-stress splitting. An efficient discrete-fracture model is used to explicitly model the fractured system. Flexible unstructured gridding is employed to model arbitrarily-oriented fractures. The interrelations among pore volume, permeability and geomechanical conditions are considered dynamically using two-way coupled flow and geomechanics computations. The geometry of fracture (networks) due to hydraulic fracturing has significant impacts on the fracturing fluid recovery efficiency and ensuing fluid distribution. Under the same injection volume, the fracturing fluid recovery is higher when the fracture geometry is planar. Fluid recovery is relatively lower whenever natural fractures are activated during fracturing treatments; flowback time is also shortened when complex fracture network with enlarged fracture interface is present. Fracturing fluid in hydraulic fractures may leak off into the natural fractures and subsequently imbibes into the surrounding matrix due to capillarity effects. The fracturing fluid recovery and in-situ fluid distribution are sensitive to the shut-in duration and fracture closure behavior. This study analyzes the coupled flow-geomechanical responses of fractured gas reservoirs during the post-fracturing periods. Understanding the fate of the fracturing fluid can provide insights on, to some extent, the stimulated fracture volume, size of the water invasion zone, and efficiency of the fracturing design. The simulation predictions can also provide more accurate initial reservoir conditions (e.g. distributions of different phases and pressure) for long-term well performance estimation.
42 ENGINEERING↗
Comparison of Equilibrium Climate Sensitivity Estimates From Slab Ocean, 150‐Year, and Longer Simulations
We compare equilibrium climate sensitivity (ECS) estimates from pairs of long (≥ 800‐year) control and abruptly quadrupled CO2 simulations with shorter (150, 300 year) coupled atmosphere‐ocean simulations and Slab Ocean Models (SOM). Consistent with previous work, ECS estimates from shorter coupled simulations based on annual averages for years 1‐150 underestimate those from SOM (‐8% ± 13%) and long (‐14% ± 8%) simulations. Analysis of only years 21‐150 improved agreement with SOM (‐2% ± 14%) and long (‐8% ± 10%) estimates. Use of pentadal averages for years 51‐150 results in improved agreement with long simulations (‐4% ± 11%). While ECS estimates from current generation US models based on SOM and coupled annual averages of years 1‐150 range from 2.6°C to 5.3°C, estimates based longer simulations of the same models range from 3.2°C to 7.0°C. Such variations between methods argues for caution in comparison and interpretation of ECS estimates across models.
Climate sensitivity↗
Spatially Local Surrogate Modeling of Subgrid-Scale Effects in Idealized Atmospheric Flows: A Deep Learned Approach Using High-Resolution Simulation Data
Abstract We introduce a machine learned surrogate model from high-resolution simulation data to capture the subgrid-scale effects in dry, stratified atmospheric flows. We use deep neural networks (NNs) to model the spatially local state differences between a coarse-resolution simulation and a high-resolution simulation. The setup enables the capture of both dissipative and antidissipative effects in the state differences. The NN model is able to accurately capture the state differences in offline tests outside the training regime. In online tests intended for production use, the NN-coupled coarse simulation has higher accuracy over a significant period of time compared to the coarse-resolution simulation without any correction. We provide evidence of the capability of the NN model to accurately capture high-gradient regions in the flow field. With the accumulation of the errors, the NN-coupled simulation becomes computationally unstable after approximately 90 coarse simulation time steps. Insights gained from these surrogate models further pave the way for formulating stable, complex, physics-based spatially local NN models which are driven by traditional subgrid-scale turbulence closure models. Significance Statement Flows in the atmosphere are highly chaotic and turbulent, comprising flow structures of broad scales. For effective computational modeling of atmospheric flows, the effects of the small- and large-scale structures need to be captured by the simulations. Capturing the small-scale structures requires fine-resolution simulations. Even with the current state-of-the-art supercomputers, it can be prohibitively expensive to simulate these flows when computed for the entire earth over climate time scales. Thus, it is necessary to focus on the larger-scale structures using a coarse-resolution simulation while capturing the effects of the smaller-scale structures using some parameterization (approximation) scheme and incorporating it into the coarse-resolution simulation. We use machine learning to model the effects of the small-scale structures (subgrid-scale effects) in atmospheric flows. Data from a fine-resolution simulation is used to compute the missing subgrid-scale effects in coarse-resolution simulations. We then use machine learning models to approximate these differences between the coarse- and fine-resolution simulations. We see improved accuracy for the coarse-resolution simulations when corrected using these machine learned models.
54 ENVIRONMENTAL SCIENCES↗
Cross-scale interaction between microturbulence and meso-scale reversed shear Alfvén eigenmodes in DIII-D plasmas
Abstract This paper reports global nonlinear gyrokinetic simulations that couple meso-scale reversed shear Alfvén eigenmodes (RSAEs) driven by energetic particles (EPs) and ion temperature gradient (ITG) microturbulence driven by thermal plasma, using equilibrium and profiles from DIII-D discharge #159243. In simulations focusing only on the ITG, electrostatic ITG drives a huge thermal ion heat transport, which is reduced by a factor of 10 to a level close to the experimental value in electromagnetic simulation due to finite β effect. In the simulations coupling the RSAE and ITG, ITG can scatter the resonant EP nonlinearly trapped by the RSAE and damp the zonal flows generated by the RSAE. The regulation of the RSAE by the ITG greatly reduces the initial saturation amplitude of the RSAE but increases the RSAE amplitude and associated EP transport to experimental levels in the quasi-steady state. The RSAE effects on the ITG, specifically the stronger zonal flows generated by the RSAE and the RSAE frequency modulation of the ITG-induced thermal ion heat transport, in turn, leads to a reduction of the thermal ion heat transport by more than a factor of 2 . For a stronger background ITG, the regulation of the RSAE by the ITG is stronger, while the RSAE effects on the ITG are weaker. This work highlights the importance of cross-scale coupling in the dynamics of the AE turbulence and EP transport.
Physics↗