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DOE OSTI2018

The path to CAM6: coupled simulations with CAM5.4 and CAM5.5

This paper documents coupled simulations of two developmental versions of the Community Atmosphere Model (CAM) towards CAM6. The configuration called CAM5.4 introduces new microphysics, aerosol, and ice nucleation changes, among others to CAM. The CAM5.5 configuration represents a more radical departure, as it uses an assumed probability density function (PDF)-based unified cloud parameterization to replace the turbulence, shallow convection, and warm cloud macrophysics in CAM. This assumed PDF method has been widely used in the last decade in atmosphere-only climate simulations but has never been documented in coupled mode. Here, we compare the simulated coupled climates of CAM5.4 and CAM5.5 and compare them to the control coupled simulation produced by CAM5.3. We find that CAM5.5 has lower cloud forcing biases when compared to the control simulations. Improvements are also seen in the simulated amplitude of the Niño-3.4 index, an improved representation of the diurnal cycle of precipitation, subtropical surface wind stresses, and double Intertropical Convergence Zone biases. Degradations are seen in Amazon precipitation as well as slightly colder sea surface temperatures and thinner Arctic sea ice. Simulation of the 20th century results in a credible simulation that ends slightly colder than the control coupled simulation. The authors find this is due to aerosol indirect effects that are slightly stronger in the new version of the model and propose a solution to ameliorate this. Altogether, in these early coupled simulations, CAM5.5 produces a credible climate that is appropriate for science applications and is ready for integration into the National Center for Atmospheric Research's (NCAR's) next-generation climate model.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Effects of spatial resolution on WRF v3.8.1 simulated meteorology over the central Himalaya

The sensitive ecosystem of the central Himalayan (CH) region, which is experiencing enhanced stress from anthropogenic forcing, requires adequate atmospheric observations and an improved representation of the Himalaya in the models. However, the accuracy of atmospheric models remains limited in this region due to highly complex mountainous topography. This article delineates the effects of spatial resolution on the modeled meteorology and dynamics over the CH by utilizing the Weather Research and Forecasting (WRF) model extensively evaluated against the Ganges Valley Aerosol Experiment (GVAX) observations during the summer monsoon. The WRF simulation is performed over a domain (d01) encompassing northern India at 15 km x 15 km resolution and two nests (d02 at 5 km x 5 km and d03 at 1 km x 1 km) centered over the CH, with boundary conditions from the respective parent domains. WRF simulations reveal higher variability in meteorology, e.g., relative humidity (RH = 70.3%-96.1%) and wind speed (WS = 1.1-4.2m s(-1)), compared to the ERA-Interim reanalysis (RH D 80.0%-85.0%, WS D 1.2-2.3m s(-1)) over northern India owing to the higher resolution. WRF-simulated temporal evolution of meteorological variables is found to agree with balloon-borne measurements, with stronger correlations aloft (r = 0.44-0.92) than those in the lower troposphere (r = 0.18-0.48). The model overestimates temperature (warm bias by 2.8 degrees C) and underestimates RH (dry bias by 6.4 %) at the surface in d01. Model results show a significant improvement in d03 (P = 827.6 hPa, T = 19.8 degrees C, RH = 92.3 %), closer to the GVAX observations (P = 801.4 hPa, T = 19.5 degrees C, RH = 94.7 %). Interpolating the output from the coarser domains (d01, d02) to the altitude of the station reduces the biases in pressure and temperature; however, it suppresses the diurnal variations, highlighting the importance of well-resolved terrain (d03). Temporal variations in near-surface P, T, and RH are also reproduced by WRF in d03 to an extent (r>0:5). A sensitivity simulation incorporating the feedback from the nested domain demonstrates the improvement in simulated P, T, and RH over the CH. Our study shows that the WRF model setup at finer spatial resolution can significantly reduce the biases in simulated meteorology, and such an improved representation of the CH can be adopted through domain feedback into regional-scale simulations. Interestingly, WRF simulates a dominant easterly wind component at 1 km x 1 km resolution (d03), which is missing in the coarse simulations; however, the frequency of southeasterlies remains underestimated. The model simulation implementing a highresolution (3 s) topography input (SRTM) improved the prediction of wind directions; nevertheless, further improvements are required to better reproduce the observed local-scale dynamics over the CH.

Singh, Jaydeep↗

DOE OSTI2016

Trans-Pacific transport and evolution of aerosols: Evaluation of quasi-global WRF-Chem simulation with multiple observations

A fully coupled meteorology-chemistry model (WRF-Chem, the Weather Research and Forecasting model coupled with chemistry) has been configured to conduct quasi-global simulation for 5 years (2010–2014) and evaluated with multiple observation data sets for the first time. The evaluation focuses on the simulation over the trans-Pacific transport region using various reanalysis and observational data sets for meteorological fields and aerosol properties. The simulation generally captures the overall spatial and seasonal variability of satellite retrieved aerosol optical depth (AOD) and absorbing AOD (AAOD) over the Pacific that is determined by the outflow of pollutants and dust and the emissions of marine aerosols. The assessment of simulated extinction Ångström exponent (EAE) indicates that the model generally reproduces the variability of aerosol size distributions as seen by satellites. In addition, the vertical profile of aerosol extinction and its seasonality over the Pacific are also well simulated. The difference between the simulation and satellite retrievals can be mainly attributed to model biases in estimating marine aerosol emissions as well as the satellite sampling and retrieval uncertainties. Compared with the surface measurements over the western USA, the model reasonably simulates the observed magnitude and seasonality of dust, sulfate, and nitrate surface concentrations, but significantly underestimates the peak surface concentrations of carbonaceous aerosol likely due to model biases in the spatial and temporal variability of biomass burning emissions and secondary organic aerosol (SOA) production. A sensitivity simulation shows that the trans-Pacific transported dust, sulfate, and nitrate can make significant contribution to surface concentrations over the rural areas of the western USA, while the peaks of carbonaceous aerosol surface concentrations are dominated by the North American emissions. Both the retrievals and simulation show small interannual variability of aerosol characteristics for 2010–2014 averaged over three Pacific sub-regions. Furthermore, the evaluation in this study demonstrates that the WRF-Chem quasi-global simulation can be used for investigating trans-Pacific transport of aerosols and providing reasonable inflow chemical boundaries for the western USA, allowing one to further understand the impact of transported pollutants on the regional air quality and climate with high-resolution nested regional modeling.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Meltwater runoff and glacier mass balance in the high Arctic: 1991–2022 simulations for Svalbard

The Arctic is undergoing increased warming compared to the global mean, which has major implications for freshwater runoff into the oceans from seasonal snow and glaciers. Here, we present high-resolution (2.5 km) simulations of glacier mass balance, runoff, and snow conditions on Svalbard from 1991–2022, one of the fastest warming regions in the world. The simulations are created using the CryoGrid community model forced by Copernicus Arctic Regional ReAnalysis (CARRA) (1991–2021) and AROME-ARCTIC forecasts (2016–2022). Updates to the water percolation and runoff schemes are implemented in the CryoGrid model for the simulations. In situ observations available for Svalbard, including automatic weather station data, stake measurements, and discharge observations, are used to carefully evaluate the quality of the simulations and model forcing. We find a slightly negative climatic mass balance (CMB) over the simulation period of -0.08 mw.e.yr -1 but with no statistically significant trend. The most negative annual CMB is found for Nordenskiöldland (-0.73 mw.e.yr -1 ), with a significant negative trend of -0.27 mw.e. per decade for the region. Although there is no trend in the annual CMB, we do find a significant increasing trend in the runoff from glaciers of 0.14 mw.e. per decade. The average runoff was found to be 0.8 mw.e.yr -1 . We also find a significant negative trend in the refreezing of -0.13 mw.e. per decade. Using AROME-ARCTIC forcing, we find that 2021/22 has the most negative CMB and highest runoff over the 1991–2022 simulation period investigated in this study. We find the simulated climatic mass balance and runoff using CARRA and AROME-ARCTIC forcing are similar and differ by only 0.1 mw.e.yr -1 in climatic mass balance and by 0.2 mw.e.yr -1 in glacier runoff when averaged over all of Svalbard. There is, however, a clear difference over Nordenskiöldland, where AROME-ARCTIC simulates significantly higher mass balance and significantly lower runoff. This indicates that AROME-ARCTIC may provide similar high-quality predictions of the total mass balance of Svalbard as CARRA, but regional uncertainties should be taken into consideration. The simulations produced for this study are made publicly available at a daily and monthly resolution, and these high-resolution simulations may be re-used in a wide range of applications including studies on glacial runoff, ocean currents, and ecosystems.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Evaluation of idealized large-eddy simulations performed with the Weather Research and Forecasting model using turbulence measurements from a 250 m meteorological mast

Abstract. We investigate the ability of the Weather Research and Forecasting model to perform large-eddy simulation of canonical flows. This is achieved through comparison of the simulation outputs with measurements from sonic anemometers on a 250 m meteorological mast located at Østerild, in northern Denmark. Østerild is on a flat and rough area, and for the predominant wind directions, the atmospheric flow can be considered to be close to homogeneous. The idealized simulated flows aim at representing atmospheric boundary layer turbulence under unstable, neutral, and stable stability conditions at the surface, which are statistically significant conditions observed at Østerild. We found that the resolved fields from the simulations appear to have the characteristics of the three stability regimes. Vertical profiles of observed mean wind speeds and direction are well reproduced by the simulations, with the largest differences under near-neutral conditions, where the effect of the subgrid-scale model is evident on the vertical wind shear close to the surface. Vertical profiles of observed eddy fluxes are also well reproduced by the simulations, with the largest differences for the three velocity component variances under stable stability conditions, although nearly always within the observed variability. With regards to turbulent kinetic energy, we find good agreement between observations and simulations at all vertical levels. Simulated and observed velocity spectra match very well and show very similar behavior with height and with atmospheric stability within the low-frequency interval; at the effective resolution, the simulated spectra show the typical drop-off of finite differences. Our findings demonstrate that these idealized simulations reproduce the characteristics of atmospheric stability regimes often observed at a high turbulent and flat site within a direction sector, where the air flows over nearly homogeneous land.

17 WIND ENERGY↗

DOE OSTI2021

Simulated hydrological dynamics and coupled iron redox cycling impact methane production in an Arctic soil: Modeling Archive

This Modeling Archive is in support of an NGEE Arctic publication "Simulated hydrological dynamics and coupled iron redox cycling impact methane production in an Arctic soil" in the Journal of Geophysical Research-Biogeosciences. We simulated biogeochemical cycling in arctic soils using the PFLOTRAN geochemical model combined with measurements from previous NGEE Arctic incubations of polygonal permafrost soils in northern Alaska (Zheng et al., 2018). Simulated iron cycling, carbon dioxide production, and methane production were compared with incubation measurements and the parameterized model was then used to simulate coupled iron and carbon cycling over repeated oxic-anoxic cycles at different levels of carbon substrate availability and pH. The most recent data version (2.0) in the archive incorporates changes to the model and simulations as suggested by reviewers during the manuscript review process. These changes include an updated parameterization of the model; a new set of simulations omitting the iron cycle for direct evaluation of how iron cycle processes affect modeled outcomes; and a set of simulations testing different scenarios of carbon substrate availability in addition to scenarios of initial soil pH. This archive contains simulation code, model output, and analysis code for PFLOTRAN simulations. All scripts are python except the batch script for submitting multiprocessor jobs. Note that the model also requires compiled versions of the Alquimia interface and the NGEE Arctic fork of the PFLOTRAN geochemical simulator (see the README_INSTALL document for basic instructions). The Output directory contains eight data files in netCDF format generated by the model. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 10-year research effort (2012-2022) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2012

Development of a dynamic simulator for a natural gas combined cycle (NGCC) power plant with post-combustion carbon capture

The AVESTAR Center located at the U.S. Department of Energy’s National Energy Technology Laboratory and West Virginia University is a world-class research and training environment dedicated to using dynamic process simulation as a tool for advancing the safe, efficient and reliable operation of clean energy plants with CO{sub 2} capture. The AVESTAR Center was launched with a high-fidelity dynamic simulator for an Integrated Gasification Combined Cycle (IGCC) power plant with pre-combustion carbon capture. The IGCC dynamic simulator offers full-scope Operator Training Simulator (OTS) Human Machine Interface (HMI) graphics for realistic, real-time control room operation and is integrated with a 3D virtual Immersive Training Simulator (ITS), thus allowing joint control room and field operator training. The IGCC OTS/ITS solution combines a “gasification with CO{sub 2} capture” process simulator with a “combined cycle” power simulator into a single high-performance dynamic simulation framework. This presentation will describe progress on the development of a natural gas combined cycle (NGCC) dynamic simulator based on the syngas-fired combined cycle portion of AVESTAR’s IGCC dynamic simulator. The 574 MW gross NGCC power plant design consisting of two advanced F-class gas turbines, two heat recovery steam generators (HRSGs), and a steam turbine in a multi-shaft 2x2x1 configuration will be reviewed. Plans for integrating a post-combustion carbon capture system will also be discussed.

03 NATURAL GAS↗

DOE OSTI2015

Exact-Differential Large-Scale Traffic Simulation

Analyzing large-scale traffics by simulation needs repeating execution many times with various patterns of scenarios or parameters. Such repeating execution brings about big redundancy because the change from a prior scenario to a later scenario is very minor in most cases, for example, blocking only one of roads or changing the speed limit of several roads. In this paper, we propose a new redundancy reduction technique, called exact-differential simulation, which enables to simulate only changing scenarios in later execution while keeping exactly same results as in the case of whole simulation. The paper consists of two main efforts: (i) a key idea and algorithm of the exact-differential simulation, (ii) a method to build large-scale traffic simulation on the top of the exact-differential simulation. In experiments of Tokyo traffic simulation, the exact-differential simulation shows 7.26 times as much elapsed time improvement in average and 2.26 times improvement even in the worst case as the whole simulation.

Hanai, Masatoshi↗

DOE OSTI2020

Development and Validation of a Simulation Testbed for the Intelligent Building Agents Laboratory (IBAL) Using TRNSYS

This paper documents the development and validation of a dynamic primary cooling and thermal storage system simulation testbed. The system simulation testbed, sIBAL, is based on the Intelligent Building Agents Laboratory (IBAL) at the National Institute of Standards and Technology (NIST), which is a research infrastructure and testbed for the development, evaluation, and demonstration of intelligent control algorithms. The sIBAL testbed developed in this project will serve as a virtual twin of the real facility for future control algorithm development. The details of the methodologies used to develop and validate the simulation testbed, which replicates the dynamic behaviors of the primary cooling and ice storage system in the IBAL facility, are presented. The simulation testbed was developed in TRNSYS using built-in component models and MATLAB functions to replicate the two water-cooled chillers, a thermal storage tank, pumps, valves and other components for four different operation modes. Experiments on IBAL components were designed and executed to generate experimental data for model development and verification of the simulation platform. The validation of the simulation results was carried out in two phases: 1) independent component simulations for the chillers and thermal storage tank, and 2) a combined testbed simulation of the entire hydronic system. Comparison of simulation results to the experimental data obtained from the IBAL facility showed errors within 1 °C for the temperatures outputs of both the chiller and the thermal storage model. The error is within an acceptable range for further intelligent control algorithms development. The findings from the study are summarized and presented along with areas where additional research is needed. In addition, data filtering procedures and model refinement measures utilized to improve the accuracy and accelerate the computation time of the simulation are presented.

cooling systems↗

DOE OSTI2018

Bridging the simulator gap: Measuring motivational bias in digital nuclear power plant environments

Using digital NPP simulator facilities for research in Human Reliability Analysis (HRA) and nuclear power research is increasingly popular. For this work, we propose a method for characterizing and quantifying the gap between data collected in a simulator and data that reflect NPP operations. Using novice operators, we demonstrate how to manipulate and measure the impact of the simulator environment on operator actions. A set of biases are proposed to characterize factors introduced by the simulator environment. There are two categories of simulator bias: Environmental Biases (physical differences between the simulator and the control room), and Motivational Biases (cognitive differences between training in a simulator and operating a NPP). This study examines Motivational Bias. A preliminary causal model of Motivational Biases is introduced and tested in a demonstration experiment using 30 student operators. Data from 41 simulator sessions are analyzed. Data include crew characteristics, operator surveys, and time to recognize and diagnose the accident in the scenario. Quantitative models of the Motivational Biases using Structural Equation Modeling (SEM) are proposed. With these models, we estimate how the effects of the scenario conditions are mediated by simulator bias, and we demonstrate how to quantify the strength of these effects.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2012

Saturation of a floating potential of an electron emitting electrode with increased electron emission: A one-dimensional kinetic model and particle-in-cell simulation

A bounded plasma system is studied by a one-dimensional kinetic model and particle-in-cell computer simulation using the XPDP1 code. Three particle species are injected into the system from a planar source, which are the singly charged positive ions and the cool and the hot electrons. All the particle species are injected with half-Maxwellian velocity distributions with different temperatures. From the collector, the emitted electrons are injected, also with a half-Maxwellian velocity distribution, but with a much lower temperature than the cool electrons. As electron emission from the collector is increased, the floating potential of the collector increases also until the boundary of space charge limited emission is achieved. In the simulation, the emission can be increased further and it turns out that the floating potential of the collector remains constant in spite of the increased electron emission. The model on the other hand is valid only up to the boundary of space charge limited emission. The predictions of that limit and of the respective floating potential of the collector by the model are in very good agreement with the simulation. As the criterion for comparison of the model and the simulations propose the matching of the potential, electric field, and density profiles obtained from the simulation and from the numerical solution of the Poisson equation. The matching of potential and electric field profiles is usually almost perfect. On the other hand, the numerical solutions of the Poisson equation give larger ion density at the source and emitted electron density at the collector than obtained from the simulation, but the matching of the particle densities around the inflection point of the potential between the model and the simulation is excellent for all 4 particle species. The same is valid also for the hot electron density at the source. If the potentials and the electric fields are read from the simulation and inserted into the model equations, one obtains an over-determined system of 4 equations for 3 unknown parameters: the ion and the hot electron density at the source and the emitted electron density at the collector. A solution of such a system with the method of least squares is presented. The errors obtained by such a solution can be considered as a measure of how well does the model describe the simulated system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2011

Deployment of a Full-Scope Commercial Nuclear Power Plant Control Room Simulator at the Idaho National Laboratory

The INL operates the HSSL to conduct research in the design and evaluation of advanced reactor control rooms, integration of intelligent support systems to assist operators, development and assessment of advanced human performance models, and visualizations to assess advanced operational concepts across various infrastructures. This advanced facility consists of a reconfigurable simulator and a virtual reality capability (known as the Computer-Aided Virtual Environment (CAVE)) (Figure 2). It supports human factors research, including human-in-the-loop performance, HSI, and analog and digital hybrid control displays. It can be applied to the development and evaluation of control systems and displays for complex systems such as existing and advanced NPP control rooms, command and control systems, and advance emergency operations centers. The HSSL incorporates a reconfigurable control room simulator, which is currently housed in the Center for Advanced Energy Studies (CAES), a joint venture of the DOE and the Idaho University System. The simulator is a platform- and plant-neutral environment intended for full-scope and part-task testing of operator performance in various control room configurations. The simulator is not limited to a particular plant or even simulator architecture. It can support engineering simulator platforms from multiple vendors using digital interfaces. Due to its ability to be reconfigured, it is possible to switch the HSI - not just to digital panels but also to different control modalities such as those using greater plant automation or intelligent alarm filtering. The simulator currently includes three operator workstations, each capable of driving up to eight 30-inch monitors. The size and number of monitors varies depending on the particular front-end simulator deployed for a simulator study. These operator workstations would typically be used for the shift supervisor or senior reactor operator, reactor operator, and assistant reactor operator in current US NPPs. In addition to the three workstations, information can be shared between the workstations and further displayed on a large-screen overview display or a panel mimic. An 82-inch high-definition display is commonly used for the overview display.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Real-Sim Interface: Enabling Multi-resolution Simulation and X-in-the-Loop Development for Connected and Automated Vehicles

We report connected and automated vehicles (CAVs) can bring safety, mobility, and energy benefits to transportation systems. Ideally, CAV applications would be fully evaluated and validated prior to real-world implementation. However, many technical challenges in both software and hardware hinder the process. To comprehensively evaluate all aspects of CAV applications, an integrated evaluation environment is needed with various simulation tools from different domains. In the current literature, there lacks a well-developed interface to enable multi-resolution simulation of vehicle, traffic, virtual environment, and hardware-in-the-loop (HIL) simulation. In this work, a modular and flexible interface is developed to enable multi-resolution vehicle and traffic co-simulation for CAV applications. This interface is built upon Oak Ridge National Laboratory’s (ORNL’s) Real-Sim approach, can support various simulation tools and real-time X-in-the-loop (XIL) simulations, and is based on network communication protocols. The network communication delays are analyzed for simultaneous connection of up to 20 simulators. Then, two example applications are studied to demonstrate the potential usage of the Real-Sim interface: (1) a centralized merging scenario where the dynamics of two ego vehicles are emulated with detailed vehicle and powertrain dynamics models and (2) a signal-controller-in-the-loop (SCIL) evaluation where one intersection of the simulated traffic scenario is controlled by a physical signal controller. This Real-Sim interface is a tool that allows researchers to bring real, tangible hardware and software into simulated environments to comprehensively evaluate and support a wide variety of CAV applications.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2016

Enhancement of Nuclear Engineering Technology Degree with a Web-Based PWR Simulator

Reactor plant simulators are used in the nuclear industry for initial and continuous training of reactor operators and senior reactor operators. The use of the generic pressurized water reactor (GPWR) plant simulator is valuable for the nuclear industry as it will ensure graduates of the Bachelor of Science in Nuclear Engineering Technology (BSNET) program will be better trained employees for the nuclear industry and address forecasted workforce shortages in the nuclear industry. By adopting simulation for education, a proven teaching and training method applied extensively in the plant environment, work quality among entrants to the nuclear power workforce will be improved, elevating performance in the field. This includes a positive influence on safety which is paramount to retaining public support of this clean energy source. Much of the research on the use of simulations within courses has argued that simulations are good tools to help students learn key concepts, terminology, and theories within courses. The GPWR simulator provides an opportunity for nuclear engineering technology students to improve their understanding of theoretical concepts associated with nuclear power plants. This hands-on experience will ensure graduates of the BSNET program will be better trained employees for the nuclear industry and address forecasted workforce shortages in the nuclear industry by providing a real-world experience in plant operations. The GPWR simulator will be utilized in five nuclear courses to begin, while providing opportunities for future expansion of the curriculum. All students graduating with a BSNET degree will interact with the simulator, experience better preparing them for further simulator training provided throughout the industry for licensure of operators. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2016

Extended magnetohydrodynamics with embedded particle-in-cell simulation of Ganymede's magnetosphere

Here, we have recently developed a new modeling capability to embed the implicit particle–in–cell (PIC) model iPIC3D into the Block–Adaptive–Tree–Solarwind–Roe–Upwind–Scheme magnetohydrodynamic (MHD) model. The MHD with embedded PIC domains (MHD–EPIC) algorithm is a two–way coupled kinetic–fluid model. As one of the very first applications of the MHD–EPIC algorithm, we simulate the interaction between Jupiter's magnetospheric plasma and Ganymede's magnetosphere. We compare the MHD–EPIC simulations with pure Hall MHD simulations and compare both model results with Galileo observations to assess the importance of kinetic effects in controlling the configuration and dynamics of Ganymede's magnetosphere. We find that the Hall MHD and MHD–EPIC solutions are qualitatively similar, but there are significant quantitative differences. In particular, the density and pressure inside the magnetosphere show different distributions. For our baseline grid resolution the PIC solution is more dynamic than the Hall MHD simulation and it compares significantly better with the Galileo magnetic measurements than the Hall MHD solution. The power spectra of the observed and simulated magnetic field fluctuations agree extremely well for the MHD–EPIC model. The MHD–EPIC simulation also produced a few flux transfer events (FTEs) that have magnetic signatures very similar to an observed event. The simulation shows that the FTEs often exhibit complex 3–D structures with their orientations changing substantially between the equatorial plane and the Galileo trajectory, which explains the magnetic signatures observed during the magnetopause crossings. The computational cost of the MHD–EPIC simulation was only about 4 times more than that of the Hall MHD simulation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

A new deadlock resolution protocol and message matching algorithm for the extreme-scale simulator

Investigating the performance of parallel applications at scale on future high-performance computing (HPC) architectures and the performance impact of different HPC architecture choices is an important component of HPC hardware/software co-design. The Extreme-scale Simulator (xSim) is a simulation toolkit for investigating the performance of parallel applications at scale. xSim scales to millions of simulated Message Passing Interface (MPI) processes. The overhead introduced by a simulation tool is an important performance and productivity aspect. This paper documents two improvements to xSim: (1)~a new deadlock resolution protocol to reduce the parallel discrete event simulation overhead and (2)~a new simulated MPI message matching algorithm to reduce the oversubscription management overhead. The results clearly show a significant performance improvement. The simulation overhead for running the NAS Parallel Benchmark suite was reduced from 102% to 0% for the embarrassingly parallel (EP) benchmark and from 1,020% to 238% for the conjugate gradient (CG) benchmark. xSim offers a highly accurate simulation mode for better tracking of injected MPI process failures. Furthermore, with highly accurate simulation, the overhead was reduced from 3,332% to 204% for EP and from 37,511% to 13,808% for CG.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Regional Earthquake Ground Motion Simulations for Southern California With EQSIM: Insights From the 2008 Chino Hills, 2024 Highland Park, and 2021 Carson Earthquakes

This study presents physics-based, 3D simulations using the EQSIM framework for several earthquakes in the Los Angeles region. The primary objective was to assess the ability of deterministic physics-based ground motion simulations to reproduce the observed motions from historical events. The selected events included the mathematical equation M w 5.4 2008 Chino Hills, the mathematical equation M w 4.4 2024 Highland Park, and the mathematical equation M w 4.3 2021 Carson events. The simulated motions were evaluated by comparing the recorded and simulated seismograms, as well as the Fourier amplitude spectra, across multiple seismic stations. The SCEC 3D velocity model, CVM-S4.26.M01, was used to represent the regional geology, and ground motion simulations were carried out with a resolution of up to 5 Hz. The results indicate that the simulated motions captured the recorded motions up to approximately 4 Hz. While careful iterations regarding source parameters and corner frequencies were required, and, for the case of the Highland Park event, some of the near-source stations had relatively low accuracy, the present study established a positive step toward the utilization of physics-based simulations in practical applications. The computational efficiencies exhibited by EQSIM, especially on GPU clusters, further supported this assertion, as wall-clock times of simulations involving more than 10 billion grid points were as low as mathematical equation minutes. This permits ensemble simulations for a considered scenario event so that modeling uncertainties (e.g., source and geology) can be bracketed.

EQSIM↗

DOE OSTI2017

Development of a Searchable Database of Cryoablation Simulations for Use in Treatment Planning

PurposeTo create and validate a planning tool for multiple-probe cryoablation, using simulations of ice ball size and shape for various ablation probe configurations, ablation times, and types of tissue ablated.Materials and MethodsIce ball size and shape was simulated using the Pennes bioheat equation. Five thousand six hundred and seventy different cryoablation procedures were simulated, using 1–6 cryoablation probes and 1–2 cm spacing between probes. The resulting ice ball was measured along three perpendicular axes and recorded in a database. Simulated ice ball sizes were compared to gel experiments (26 measurements) and clinical cryoablation cases (42 measurements). The clinical cryoablation measurements were obtained from a HIPAA-compliant retrospective review of kidney and liver cryoablation procedures between January 2015 and February 2016. Finally, we created a web-based cryoablation planning tool, which uses the cryoablation simulation database to look up the probe spacing and ablation time that produces the desired ice ball shape and dimensions.ResultsAverage absolute error between the simulated and experimentally measured ice balls was 1 mm in gel experiments and 4 mm in clinical cryoablation cases. The simulations accurately predicted the degree of synergy in multiple-probe ablations. The cryoablation simulation database covers a wide range of ice ball sizes and shapes up to 9.8 cm.ConclusionCryoablation simulations accurately predict the ice ball size in multiple-probe ablations. The cryoablation database can be used to plan ablation procedures: given the desired ice ball size and shape, it will find the number and type of probes, probe configuration and spacing, and ablation time required.

62 RADIOLOGY AND NUCLEAR MEDICINE↗