First integrated core-edge fluid simulation of ITER’s Limiter–Divertor transition with SolEdge-HDG
Not Available
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
SEARCH · Engineering Papers
Results for “Integrated 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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Mechanical Integrity of Biodegradable Mg–HA Composite During In Vitro Exposure
Biodegradable metals are being frequently explored as a very potential replacement for bone implant and fixing accessories, owing to their superior mechanical and biological properties. In connection to this, biodegradable magnesium (Mg) and its alloys exhibit good biocompatibility for orthopedic applications. Nevertheless, the use of these biodegradable materials has been restricted due to their fast degradation rate in the physiological environment, even before the new tissue is adequately generated. So, it becomes necessary to bring down their corrosion rate to retain their mechanical integrity until the bone properly heals. A solution to this problem is found in hydroxyapatite (HA)-reinforced Mg-based composites. However, it is important to understand the mechanical behavior of these materials, after exposure to body environment. In this study, HA-reinforced composites of Mg-based (Mg-3Zn) matrix are evaluated for their mechanical integrity in simulated in vitro condition. Addition of 5 wt.% HA decreased the corrosion rate of Mg-3Zn, which in turn maintained the mechanical integrity of the structures even after 14 days of immersion. Mg-3Zn and Mg-3Zn-5HA composites have retained ~ 34 and 66% of ultimate compressive strength after 3 days of immersion. All these studies together establish the effect of HA on mechanical integrity of Mg-based composites in orthopedic application.
36 MATERIALS SCIENCE↗
New developments and verification of fusion blanket simulation capabilities in the MOOSE framework
Multiphysics modeling capabilities have a crucial role to play in the accelerated deployment of fusion energy. To that end, we developed new multiphysics fusion blanket simulation capabilities in the Multiphysics Object-Oriented Simulation Environment (MOOSE). Firstly, we expanded on the existing capabilities of the previously published work, by coupling 3D tritium transport modeling capabilities using the Tritium Migration Analysis Program, version 8 (TMAP8) to an existing tool including thermal hydraulics, fully three-dimensional (3D) heat transfer, and loosely coupled neutronics analysis. Secondly, we performed a thorough verification of the new capabilities and increased testing code coverage to meet MOOSE’s software quality standards. The MOOSE framework follows a strict software quality assurance plan to be Nuclear Quality Assurance, Level 1 compliant. The new multiphysics fusion blanket simulation capabilities are now held to the same standard. Thirdly, to demonstrate MOOSE’s new fusion blanket modeling capabilities, we performed a fully integrated, multiphysics simulation of a 3D solid ceramic breeder blanket design. This proof-of-concept simulation provides the temperature and tritium distribution across the blanket. In conclusion, the combined efforts towards software quality and the development of multiphysics coupling capabilities provide an effective and reliable framework for modeling solid ceramic fusion blankets using MOOSE.
modeling and simulation↗
Accelerating Multiphase Simulations With Denoising Diffusion Model Driven Initializations
This study introduces a hybrid fluid simulation approach that integrates generative diffusion models with physics‐based simulations, aiming at reducing the computational costs of flow simulations while still honoring all the physical properties of interest. Pore‐scale simulations enhance our understanding of applications such as assessing hydrogen and storage efficiency in underground reservoirs. Nevertheless, they are computationally expensive and the presence of non‐unique solutions can require multiple simulations within a single geometry. To overcome the computational cost hurdle, we propose a method that couples generative diffusion models and physics‐based simulations. While training the data‐driven model, we simultaneously generate initial conditions and perform physics‐based simulations using these. This integrated approach enables us to receive real‐time feedback on a single compute node equipped with both CPUs and GPUs. By efficiently managing these processes within a single compute node, we can continuously monitor performance and halt training once the model meets the specified criteria. To test our model, we generate realizations in a real Berea sandstone fracture which shows that our technique is up to 4.4 times faster than commonly used flow simulation initializations.
36 MATERIALS SCIENCE↗
A dynamic process model of a natural gas combined cycle -- Model development with startup and shutdown simulations
Research in dynamic process simulation for integrated gasification combined cycles (IGCC) with carbon capture has been ongoing at the National Energy Technology Laboratory (NETL), culminating in a full operator training simulator (OTS) and immersive training simulator (ITS) for use in both operator training and research. A derivative work of the IGCC dynamic simulator has been a modification of the combined cycle section to more closely represent a typical natural gas fired combined cycle (NGCC). This paper describes the NGCC dynamic process model and highlights some of the simulator’s current capabilities through a particular startup and shutdown scenario.
20 FOSSIL-FUELED POWER PLANTS↗
Extended Leach Testing of Simulated LAW Cast Stone Monoliths
This report describes the results from long-term laboratory leach tests performed at Pacific Northwest National Laboratory (PNNL) for Washington River Protection Solutions (WRPS) to evaluate the release of key constituents from monoliths of Cast Stone prepared with four simulated low-activity waste (LAW) liquid waste streams. Specific objectives of the Cast Stone long-term leach tests described in this report focused on four activities: 1. Extending the leaching times for selected ongoing EPA-1315 tests on monoliths made with LAW simulants beyond the conventional 63-day time period up to 609 days reported herein (with some tests continuing that will be documented later) in an effort to evaluate long-term leaching properties of Cast Stone to support future performance assessment activities. 2. Starting new EPA-1315 leach tests on archived Cast Stone monoliths made with four LAW simulants using two leachants (deionized water [DIW] and simulated Hanford Integrated Disposal Facility (IDF) Site vadose zone pore water [VZP]). 3. Evaluating the impacts of varying the iodide loading (starting iodide concentrations) in one LAW simulant (7.8 M Na Hanford Tank Waste Operations Simulator (HTWOS) Average) by manufacturing new Cast Stone monoliths and repeating the EPA-1315 leach tests using DIW and the VZP leachants. 4. Evaluating the impacts of using a non-pertechnetate form of Tc that is present in some Hanford tanks. In this activity one LAW simulant (7.8 M Na HTWOS Average) was spiked with a Tc(I)-tricarbonyl gluconate species and then solidified into Cast Stone monoliths. Cured monoliths were leached using the EPA-1315 leach protocol with DIW and VZP. The leach results for the Tc-Gluconate Cast Stone monoliths were compared to Cast Stone monoliths pertechnetate.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Co-Simulation of PSS/E, OpenDSS, and PSCAD for Power Systems Stability Analysis With Inverter-Based Resources: Preprint
The increasing penetration of inverter-based resources (IBRs) is reshaping the dynamic behavior of power systems. IEEE standard 1547-2018 suggests that distributed energy resources (DERs) should provide grid services such as voltage and frequency supports. On the other hand, dynamic events caused by IBRs such as sub-synchronous oscillation have been reported. These developments necessitate improvement in the current modeling capabilities to better understand the interdependencies within power systems. These include interactions between transmission and distribution systems, among IBRs themselves, and between IBRs and conventional resources. In this paper, we present a co-simulation model integrating PSS/E, OpenDSS, and PSCAD to analyze IBR impacts on the stability of transmission and distribution systems. A key challenge in developing a co-simulation model is ensuring interoperability among different simulators (interfacing and data flow) while maintaining accurate results. Using the developed model, we simulate the impact of IBRs on power systems in two test cases: 1) fault ride through (FRT) capability during a generation trip contingency; 2) IBR-induced sub-synchronous oscillation. The results show the effectiveness of the co-simulation model.
24 POWER TRANSMISSION AND DISTRIBUTION↗
A 60-GHz interferometer with a local oscillator integrated antenna array for divertor simulation experiments on GAMMA 10/PDX
In conventional multichannel/imaging microwave diagnostics of interferometry, reflectometry, and electron cyclotron emission measurements, a local oscillator (LO) signal is commonly supplied to a receiver array via irradiation using LO optics. In this work, we present a 60-GHz interferometer with a new eight-channel receiver array, called a local oscillator integrated antenna array (LIA). An outstanding feature of LIA is that it incorporates a frequency quadrupler integrated circuit for LO supply to each channel. This enables simple and uniform LO supply to the receiver array using only a 15-GHz LO source and a coaxial cable transmission line instead of using an expensive 60-GHz source, LO optics, and a waveguide transmission line. The new interferometer system is first applied to measure electron line-averaged density inside the divertor simulation experimental module (D-module) on GAMMA 10/PDX tandem mirror device.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Data-model files associated with the manuscript "The Effects of Spatial and Temporal Resolution of Gridded Meteorological Forcing on Watershed Hydrological Responses" (Shuai et al., 2022 HESS)
This data package contains the model inputs and outputs used in "The Effects of Spatial and Temporal Resolution of Gridded Meteorological Forcing on Watershed Hydrological Responses" (Shuai et al., 2022 HESS). The data.zip file contains the data used to drive the model simulations. The model.zip file contains the XML input file for ATS. The notebook.zip file contains the Jupyter notebooks for pre- and post- processing model results. The figures.zip file contains the raw figures associated with the manuscript.Meteorological forcing plays a critical role in accurately simulating the watershed hydrological cycle. With the advancement of high-performance computing and the development of integrated watershed models, simulating the watershed hydrological cycle at high temporal (hourly to daily) and spatial resolution (10s of meters) has become efficient and computationally affordable. These hyperresolution watershed models require high resolution of meteorological forcing as model input to ensure the fidelity and accuracy of simulated responses. In this study, we utilized the Advanced Terrestrial Simulator (ATS), an integrated watershed model, to simulate surface and subsurface flow and land surface processes using unstructured meshes at the Coal Creek Watershed near Crested Butte (Colorado). We compared simulated watershed hydrologic responses including streamflow, and distributed variables such as evapotranspiration, snow water equivalent (SWE), and groundwater table driven by three publicly available, gridded meteorological forcings (GMFs) -- Daily Surface Weather and Climatological Summaries (Daymet), Parameter-elevation Regressions on Independent Slopes Model (PRISM), and North American Land Data Assimilation System (NLDAS). By comparing various spatial resolutions (ranging from 400 m to 4 km) of PRISM, the simulated streamflow only becomes marginally worse when spatial resolution of meteorological forcing is coarsened to 4 km (or 30% of the watershed area). However, the 4 km resolution has much worse performance than finer resolution in spatially distributed variables such as SWE. Using temporally disaggregated PRISM, we compared models forced by different temporal resolutions (hourly to daily), sub-daily resolution preserves the dynamic watershed responses (e.g., diurnal fluctuation of streamflow) that are absent in results forced by daily resolution. Conversely, the simulated streamflow shows better performance using daily resolution compared to that using sub-daily resolution. Our findings suggest that the choice of GMF and its spatiotemporal resolution depends on the quantity of interest and its spatial and temporal scale, which may have important implications on model calibration and watershed management decisions.
54 ENVIRONMENTAL SCIENCES↗
iTOUGH2: A multiphysics simulation-optimization framework for analyzing subsurface systems
We report iTOUGH2 is a simulation-optimization framework for the TOUGH suite of nonisothermal multiphase flow models and related simulators of geophysical, geochemical, and geomechanical processes. After appropriate parameterization of subsurface structures and their properties, iTOUGH2 runs simulations for multiple parameter sets and analyzes the resulting output for parameter estimation through automatic model calibration, local and global sensitivity analyses, data-worth analyses, and uncertainty propagation analyses. Development of iTOUGH2 is driven by scientific challenges and user needs, with new capabilities continually added to both the forward simulator and the optimization framework. This paper provides a summary description of methods and features implemented in iTOUGH2, and discusses the usefulness and limitations of an integrated simulation-optimization workflow in support of the characterization and analysis of complex multiphysics subsurface systems.
58 GEOSCIENCES↗
The effects of spatial and temporal resolution of gridded meteorological forcing on watershed hydrological responses
Abstract. Meteorological forcing plays a critical role in accurately simulating the watershed hydrological cycle. With the advancement of high-performance computing and the development of integrated watershed models, simulating the watershed hydrological cycle at high temporal (hourly to daily) and spatial resolution (tens of meters) has become efficient and computationally affordable. These hyperresolution watershed models require high resolution of meteorological forcing as model input to ensure the fidelity and accuracy of simulated responses. In this study, we utilized the Advanced Terrestrial Simulator (ATS), an integrated watershed model, to simulate surface and subsurface flow and land surface processes using unstructured meshes at the Coal Creek Watershed near Crested Butte (Colorado). We compared simulated watershed hydrologic responses including streamflow and distributed variables such as evapotranspiration, snow water equivalent (SWE), and groundwater table driven by three publicly available, gridded meteorological forcings (GMFs) – Daily Surface Weather and Climatological Summaries (Daymet), the Parameter-elevation Regressions on Independent Slopes Model (PRISM), and the North American Land Data Assimilation System (NLDAS). By comparing various spatial resolutions (ranging from 400 m to 4 km) of PRISM, the simulated streamflow only becomes marginally worse when spatial resolution of meteorological forcing is coarsened to 4 km (or 30 % of the watershed area). However, the 4 km-resolution has much worse performance than finer resolution in spatially distributed variables such as SWE. Using the temporally disaggregated PRISM, we compared models forced by different temporal resolutions (hourly to daily), and sub-daily resolution preserves the dynamic watershed responses (e.g., diurnal fluctuation of streamflow) that are absent in results forced by daily resolution. Conversely, the simulated streamflow shows better performance using daily resolution compared to that using sub-daily resolution. Our findings suggest that the choice of GMF and its spatiotemporal resolution depends on the quantity of interest and its spatial and temporal scale, which may have important implications for model calibration and watershed management decisions.
54 ENVIRONMENTAL SCIENCES↗
ARE PLANETARY SYSTEMS FILLED TO CAPACITY? A STUDY BASED ON KEPLER RESULTS
We used a sample of Kepler candidate planets with orbital periods less than 200 days and radii between 1.5 and 30 Earth radii (R{sub Circled-Plus }) to determine the typical dynamical spacing of neighboring planets. To derive the intrinsic (i.e., free of observational bias) dynamical spacing of neighboring planets, we generated populations of planetary systems following various dynamical spacing distributions, subjected them to synthetic observations by the Kepler spacecraft, and compared the properties of observed planets in our simulations with actual Kepler detections. We found that, on average, neighboring planets are spaced 21.7 mutual Hill radii apart with a standard deviation of 9.5. This dynamical spacing distribution is consistent with that of adjacent planets in the solar system. To test the packed planetary systems hypothesis, the idea that all planetary systems are dynamically packed or filled to capacity, we determined the fraction of systems that are dynamically packed by performing long-term (10{sup 8} years) numerical simulations. In each simulation, we integrated a system with planets spaced according to our best-fit dynamical spacing distribution but containing an additional planet on an intermediate orbit. The fraction of simulations exhibiting signs of instability provides an approximate lower bound on the fraction of systems that are dynamically packed; we found that {>=}31%, {>=}35%, and {>=}45% of two-planet, three-planet, and four-planet systems are dynamically packed, respectively. Such sizeable fractions suggest that many planetary systems are indeed filled to capacity. This feature of planetary systems is another profound constraint that formation and evolution models must satisfy.
79 ASTRONOMY AND ASTROPHYSICS↗
Mesoscopic Adaptive Resolution Scheme toward Understanding of Interactions between Sickle Cell Fibers
Understanding of intracellular polymerization of sickle hemoglobin (HbS) and subsequent interaction with the membrane of a red blood cell (RBC) is important to predict the altered morphologies and mechanical properties of sickle RBCs in sickle cell anemia. However, modeling the integrated processes of HbS nucleation, polymerization, HbS fiber interaction, and subsequent distortion of RBCs is challenging as they occur at multispatial scales, ranging from nanometers to micrometers. To make progress toward simulating the integrated processes, we propose a hybrid HbS fiber model, which couples fine-grained and coarse-grained HbS fiber models through a mesoscopic adaptive resolution scheme (MARS). To this end, we apply a microscopic model to capture the dynamic process of polymerization of HbS fibers, while maintaining the mechanical properties of polymerized HbS fibers by the mesoscopic model, thus providing a means of bridging the subcellular and cellular phenomena in sickle cell disease. At the subcellular level, this model can simulate HbS polymerization with preexisting HbS nuclei. At the cellular level, if combined with RBC models, the generated HbS fibers could be applied to study the morphologies and membrane stiffening of sickle RBCs. One important feature of the MARS is that it can be easily employed in other particle-based multiscale simulations where a dynamic coarse-graining and force-blending method is required. As demonstrations, we first apply the hybrid HbS fiber model to simulate the interactions of two growing fibers and find that their final configurations depend on the orientation and interaction distance between two fibers, in good agreement with experimental observations. We also model the formation of fiber bundles and domains so that we explore the mechanism that causes fiber branching.
Biophysics↗
FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment (Final Report)
This report documents the FY25 Theory and Simulation Performance Target (TSPT) of developing an integrated modeling framework for fusion reactor design and assessment (FREDA). Over Q1-Q4, new capabilities were developed across both plasma and engineering domains and demonstrated on an example representation of a Compact Advanced Tokamak with a Dual Cooled Lead Lithium blanket. This represents a first-of-a-kind demonstration of coupled core-to-wall-to-engineering for a reactor. Self-consistent CESOL workflows were applied to provide core, pedestal, and SOL prediction; new modules were developed for energetic particle stability (FAR3D) and transport (TGLF-EP) analysis; and boundary plasma modeling (SOLPS-ITER, BOUT++/Hermes-3) was expanded to evaluate wall and divertor heat fluxes and interface with engineering thermal analysis. A parameterized CAD tool, TRACER, was expanded to generate medium-fidelity divertor, blanket, and coil geometries; OpenFOAM and Diablo workflows were applied for first-wall and divertor thermal analyses with helium cooling; and reduced-order models were created for high-mass-flux divertor cooling. Magnet multiphysics capabilities were verified between Elmer, Diablo, and a new MFEM-based solver, and workflows enable stress, thermal, and neutron-fluence analysis of TF coils with neutronics-driven heating. Nuclear and blanket analysis workflows were demonstrated, including tritium breeding, transport, and CFD-informed thermo-mechanical assessment. Preliminary multi-fidelity uncertainty quantification workflows were applied to boundary modeling codes and shown to achieve variance reductions with fewer high-fidelity boundary simulations. Key findings highlight the challenges of resolving the ITEP gap to find suitable balance between wall and divertor loads, neutron heating, and practical limits of PFC cooling. Next step priorities are to develop automated workflows to check boundary code convergence and detachment, implement tighter physics-engineering CAD provenance tracking, and inclusion of plasma-material interface models for SLAG and tungsten cracking behavior. Collectively, these developments establish sophisticated capabilities for predictive, multi-fidelity, whole-device modeling that integrates plasma physics, materials, magnets, and nuclear engineering to guide pathways to viable Fusion Pilot Plant design points.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Electronic density response of warm dense matter
Matter at extreme temperatures and pressures—commonly known as warm dense matter (WDM)—is ubiquitous throughout our Universe and occurs in astrophysical objects such as giant planet interiors and brown dwarfs. Moreover, WDM is very important for technological applications such as inertial confinement fusion and is realized in the laboratory using different techniques. A particularly important property for the understanding of WDM is given by its electronic density response to an external perturbation. Such response properties are probed in x-ray Thomson scattering (XRTS) experiments and are central for the theoretical description of WDM. In this work, we give an overview of a number of recent developments in this field. To this end, we summarize the relevant theoretical background, covering the regime of linear response theory and nonlinear effects, the fully dynamic response and its static, time-independent limit, and the connection between density response properties and imaginary-time correlation functions (ITCF). In addition, we introduce the most important numerical simulation techniques, including path-integral Monte Carlo simulations and different thermal density functional theory (DFT) approaches. From a practical perspective, we present a variety of simulation results for different density response properties, covering the archetypal model of the uniform electron gas and realistic WDM systems such as hydrogen. Moreover, we show how the concept of ITCFs can be used to infer the temperature from XRTS measurements of arbitrary complex systems without the need for any models or approximations. Finally, we outline a strategy for future developments based on the close interplay between simulations and experiments.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Real-Sim Flexible Interface for X-in-the-loop Simulation (FIXS)
Real-Sim is a multi-resolution X-in-the-loop simulation framework to support inclusive testing and evaluation of CAVs before actual implementation in the real world. Real-Sim framework connects different simulation components and integrates various traffic and vehicle simulation tools, virtual environments, and XIL systems through a Flexible Interface for XIL Simulation (FIXS). Connections among different tools are transparent to users and handled by the interface behind the scenes. Co-simulation of various vehicle and traffic simulation tools with different XIL systems can be easily achieved and become a transparent "plug-and-play" process to users.
Shao, Yunli (0000000185287925)↗
Xyce Case Study
With the elimination of underground nuclear testing and declining defense budgets, science-based stockpile stewardship requires increased reliance on high performance modeling and simulation of weapon systems. Today's weapon systems are comprised of various electrical components and systems. As a result, there is a need for tools that will allow the use of massively parallel modeling and simulation techniques on high performance computers in existing and future weapons' electrical systems models. The Xyce Parallel Electronic Simulator is a SPICE (Simulation Program with Integrated Circuit Emphasis)- compatible circuit simulator designed to run on large-scale parallel computing platforms, though it can also execute efficiently on a variety of architectures including single processor workstations. As a mature platform for large-scale parallel circuit simulation, Xyce supports standard capabilities available in commercial simulators, in addition to various devices and models specific to Sandia's needs. Specifically, Xyce aids in the design and verification of electrical and electronic circuits and systems prior to weapons' manufacturing and deployment.
45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
Xyce Case Study
With the elimination of underground nuclear testing and declining defense budgets, science-based stockpile stewardship requires increased reliance on high performance modeling and simulation of weapon systems. Today's weapon systems are comprised of various electrical components and systems. As a result, there is a need for tools that will allow the use of massively parallel modeling and simulation techniques on high performance computers in existing and future weapons' electrical systems models. The Xyce Parallel Electronic Simulator is a SPICE (Simulation Program with Integrated Circuit Emphasis)- compatible circuit simulator designed to run on large-scale parallel computing platforms, though it can also execute efficiently on a variety of architectures including single processor workstations. As a mature platform for large-scale parallel circuit simulation, Xyce supports standard capabilities available in commercial simulators, in addition to various devices and models specific to Sandia's needs. Specifically, Xyce aids in the design and verification of electrical and electronic circuits and systems prior to weapons' manufacturing and deployment.
45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗