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All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Initial Testing of the Exploration Extravehicular Mobility Unit (xEMU) in Lunar Environment Simulation at the Neutral Buoyancy Lab (NBL) in 2022

Understanding how to effectively train for Extravehicular Activities (EVAs) for Artemis missions is critical. Tasked by the new Extravehicular Activity and Human Surface Mobility Program(EHP), a team of stakeholders from engineering and flight operations worked together to test the Exploration Extravehicular Mobility (xEMU) in the Neutral Buoyancy Lab(NBL) simulating the lunar environment. The NBL is a pool in which astronauts are typically trained to complete simulated International Space Station (ISS) EVA tasks in a neutral weigh-out. The overall focus for this test series was evaluating how well the NBL could be used as an effective simulated environment for Artemis lunar EVAs. New NBL support hardware was manufactured to support this test series and update the interfaces to be more representative of xEMU hardware such as a new NBL Portable Life Support System(PLSS)mock-up and umbilical, lights and cameras, and display and control unit (DCU).To simulate the 1/6th-gravity (1/6-g) environment, extra weights were added around the suit to create an accurate center of gravity representation. The Partial Gravity Weigh-out Stand (PGWS) predicted where and how much weight would be required for the 1/6th-G simulation and predicted the center of gravity placement. After the weigh-out attempt was completed, the suited participant would complete a set of directed tasks such as kneeling, object pick-up, and walking to evaluate the weigh-out. To create the lunar environment, sand, boulders, and ramps were added to the pool floor. If time allowed after weigh-out was determined acceptable, the flight operations team would direct the suited participants to complete simulated Artemis EVA tasks using flight-like tools and tool cart. The team also evaluated turning out the overhead lights in the NBL for a portion of some of the test runs and using a solar simulator to create amore realistic lunar south pole lighting environment. The test series completed one unmanned test and nine manned tests. With four of the tests, dual xEMU suited operations were completed with subjects in both the small and large xEMU sizes. Overall, the NBL was able to create an acceptable lunar landscape and ability to have two subjects work side by side in pressurized xEMUs which currently cannot be achieved in other test environments. Achieving a stable 1/6th-G lunar weigh-out and clear, consistent dual suit communications was a challenge for this series. Future work is planned to continue to improve this simulation environment.

spacesuit↗
NASA NTRSDate not supplied

Verification of the Generalized Aerospace Simulation in Simulink (R)

NASA uses six-degrees-of-freedom (6-DOF) simulations tools to design, test, develop Guidance Navigation and Control (GN&C) software, and certify vehicle performance prior to flight. Therefore, it is critical that the 6-DOF tools used for vehicle design and certification are validated. The focus of this work is the vali-dation of the NASA Marshall Space Flight Center 6-DOF “GeneraLized Aero-space Simulation in Simulink” (GLASS) framework tool. The GLASS tool framework is currently used to support NASA GN&C insight for the Human Landing System (HLS) project, simulating vehicle dynamics during lunar descent and as-cent. The GLASS framework utilizes the off-the-shelf Mathworks ® Simscape Multibody® toolbox to model vehicle multi-body dynamics. NASA’s Engineering and Safety Center (NESC) provides a set of 6-DOF simulation verification “check cases” that are available to any user needing to verify 6-DOF tools. The check cases contain seventeen atmospheric and twenty-six orbital test scenarios are provided to validate equations of motion, environmental models (e.g., atmosphere, gravitation, and geodesy) and tool propagators. This paper compares GLASS 6-DOF simulation results against the NESC check cases’ results via simulation-to-simulation comparisons. The comparisons demonstrate that GLASS simulation results are “in family” with the outputs of the applicable NASA NESC check cases and verifies the GLASS core framework dynamics and the correct implementation of the check case scenario models.

6-Dof↗
NASA NTRSDate not supplied

Verification of the Generalized Aerospace Simulation in Simulink

NASA uses six-degrees-of-freedom (6-DOF) simulations tools to design, test, develop Guidance Navigation and Control (GN&C) software, and certify vehicle performance prior to flight. Therefore, it is critical that the 6-DOF tools used for vehicle design and certification are validated. The focus of this work is the validation of the NASA Marshall Space Flight Center 6-DOF “GeneraLized Aerospace Simulation in Simulink” (GLASS) framework tool. The GLASS tool framework is currently used to support NASA GN&C insight for the Human Landing System (HLS) project, simulating vehicle dynamics during lunar descent and ascent. The GLASS framework utilizes the off-the-shelf Mathworks (R) Simscape (TM) Multibody (TM) toolbox to model vehicle multi-body dynamics. NASA’s Engineering and Safety Center (NESC) provides a set of 6-DOF simulation verification “check cases” that are available to any user needing to verify 6-DOF tools. The check cases contain seventeen atmospheric and twenty-six orbital test scenarios are provided to validate equations of motion, environmental models (e.g., atmosphere, gravitation, and geodesy) and tool propagators. This paper compares GLASS 6-DOF simulation results against the NESC check cases’ results via simulation-to-simulation comparisons. The comparison demonstrates that GLASS simulation results are “in family” with the outputs of the applicable NASA NESC check-cases and verify the GLASS core framework dynamics and the implementation of the check case scenario models.

6-Dof↗
NASA NTRSDate not supplied

Immersive Technologies for Human-in-the-Loop Lunar Surface Simulations

NASA, the National Aeronautics and Space Administration, continually seeks innovative solutions to enhance its operations, particularly in the realms of testing, evaluation, and training for future missions. Immersive technologies, such as virtual, augmented, and mixed reality have proven to be powerful tools for immersing users in realistic, interactive, and engaging environments. This paper explores how the Simulation and Graphics Branch at NASA’s Johnson Space Center (JSC) leverages immersive technology, modern commercial rendering engines, and physics-based systems simulations to develop human-in-the-loop systems for humanity’s return to the Moon through the Artemis program. When NASA returns to the Moon, astronauts will travel to the Moon’s South Pole where lighting conditions will cause a more complex operational environment. Human-in-the-loop simulations play a crucial role in NASA’s mission planning, spacecraft and space systems development, and evaluation of operational scenarios. The development of immersive environments such as a lunar rover mockup at a video wall enables engineers and astronauts to simulate and experience mission scenarios, integrated spacecraft systems, and operational procedures in a relevant environment before deployment. By integrating realistic virtual environments, immersive technology allows for the visualization and interaction with virtual spacecraft models, mission landscapes, and complex operational tasks. This approach helps identify potential design flaws, operational challenges, and safety considerations. It also provides valuable insights for risk reduction and helps improve mission efficiency and effectiveness. With advanced motion tracking systems and custom virtual environments, data can be gathered and evaluated to help NASA refine training protocols, develop specialized training procedures, and optimize human-robotic interactions for future space missions. Furthermore, immersive technology offers opportunities for future training initiatives at NASA. The Virtual Reality Laboratory at JSC has pioneered training with Virtual Reality (VR) since the Hubble Space Telescope repair missions in the early 1990’s. Extended Reality (XR) simulations enable astronauts to rehearse complex spacewalks, spacecraft maneuvers, and extravehicular activities in a safe and controlled environment. By replicating the physical and cognitive challenges of space missions, immersive training experiences enhance astronauts’ situational awareness, decision-making abilities, and adaptability to unexpected scenarios. Additionally, immersive technology facilitates collaborative training, allowing geographically dispersed crew and mission control personnel to engage in synchronized simulations, fostering teamwork and effective communication. The adoption of immersive technology in NASA’s testing, evaluation, and future training programs has yielded significant benefits. By incorporating human-in-the-loop simulations for studies involving Extra Vehicular Activities (EVA), surface mobility and landing systems, NASA can identify and mitigate risks, optimize operational procedures, and enhance mission success. Ultimately, immersive simulation experiences can empower astronauts to better navigate the complexities of space missions, ensuring their safety, productivity, and success in the dynamic and challenging environments they will experience at the Lunar South Pole.

HITL↗
NASA NTRS2026

High Temperature Dielectric Properties and Differential Scanning Calorimetry of Lunar Simulants

To guide development of microwave process technology that could be used during in situ construction on the Moon, we measured the high-temperature basic dielectric properties (εʹ and εʺ) of 17 lunar simulants and related materials. In order to confidently use these data one needs to understand the data’s strengths and weaknesses. Therefore, a goal of this publication is to provide insights into the comparative effects of sample composition, pre-treatments, experimental variables, high temperatures, and other factors on the measured response. The dielectric measurements were performed using the cavity perturbation method over a temperature range between room temperature to 1000 °C, or higher, and provided the real and imaginary components of permittivity at six frequencies. The utility of the original values was limited by the varying density of the pellets used in the measurement. Therefore, all of the εʹ and εʺ measurements at the frequency of 2466 MHz have been scaled to a constant density, 1.75 g/cm 3 . Here the data are presented as graphs chosen to aid analysis within and across simulant groups. To gain additional insight into the processes happening at the elevated temperatures in the dielectric measurements, heat capacity data was obtained using differential scanning calorimetry (DSC) on several of the simulant materials. Our data show that over the frequency range 397 MHz – 2985 MHz a material’s behavior does not greatly change, as compared to the scale of differences observed between lunar mare and highland simulants at high temperatures. For example at 1000 °C, the mare simulant JSC-1A absorbs 10 times more power than the highland simulant NUW-LHT-5M. We observe that as melting temperatures are reached both permittivity and dielectric loss rise non-linearly, helping to explain thermal runaway during microware heating. Our data show that even less than a few weight % of many non-lunar minerals, and the use of mixtures in simulants can affect the dielectric behavior at higher temperatures. A comparison of our results with published dielectric data for Apollo samples and with remote sensing of the Moon supports the conclusion the simulants and lunar material at room temperature have very similar dielectric values.

Differential Scanning Calorimetry↗
DOE OSTI2017

Evaluation of the Inertial Response of Variable-Speed Wind Turbines Using Advanced Simulation: Preprint

In this paper, we focus on the temporary frequency support effect provided by wind turbine generators (WTGs) through the inertial response. With the implemented inertial control methods, the WTG is capable of increasing its active power output by releasing parts of the stored kinetic energy when the frequency excursion occurs. The active power can be boosted temporarily above the maximum power points, but the rotor speed deceleration follows and an active power output deficiency occurs during the restoration of rotor kinetic energy. In this paper, we evaluate and compare the inertial response induced by two distinct inertial control methods using advanced simulation. In the first stage, the proposed inertial control methods are analyzed in offline simulation. Using an advanced wind turbine simulation program, FAST with TurbSim, the response of the researched wind turbine is comprehensively evaluated under turbulent wind conditions, and the impact on the turbine mechanical components are assessed. In the second stage, the inertial control is deployed on a real 600-kW wind turbine, the three-bladed Controls Advanced Research Turbine, which further verifies the inertial control through a hardware-in-the-loop simulation. Various inertial control methods can be effectively evaluated based on the proposed two-stage simulation platform, which combines the offline simulation and real-time hardware-in-the-loop simulation. The simulation results also provide insights in designing inertial control for WTGs.

17 WIND ENERGY↗
DOE OSTI2022

Modeling Integrated Electricity and Natural Gas Systems Using Co-Simulation

One approach for modeling natural gas and electricity networks as integrated systems is co-simulation, which involves separating a single model into subproblems that are solved iteratively, with coupling information passed between then. Although a fully integrated problem might be more direct, co-simulation offers advantages in that it can sometimes be more computationally tractable, and can also leverage existing simulation tools to represent the subproblems. Here we present a framework for co-simulation of natural gas and electricity networks using the HELICS tool. We provide validation of the co-simulation approach by comparing results with a fully integrated approach that uses the same simulation tool, finding that the two approaches provide identical results for a range of test cases. We then present results from natural gas and electricity network co-simulation case study of the Colorado Front Range, with an evaluation of the present-day system and also a future system with higher shares of renewable power. The presentation will close with a discussion on future avenues of work for co-simulation of gas and power networks.

co-simulation↗
DOE OSTI2018

Comparison of MAVRIC/MONACO and TRIPOLI-4{sup R} simulations of the LLNL pulsed spheres benchmark experiments - 25403

Simulations of the Lawrence Livermore Pulsed Spheres with MAVRIC/Monaco and TRIPOLI-4{sup R} are presented. Both codes use ENDF/B-VII.1 cross section data, but TRIPOLI-4{sup R} also uses cross section data based on JEFF-3.1.1. The MAVRIC/Monaco simulations were performed with the SCALE 6.2.2 release while the TRIPOLI-4{sup R} simulations used an internal development version of the code. For the most part, the simulated and measured neutron counts agree within 30%. Simulated gamma flux data is compared, as well. There are no measured gamma data. The agreement between the simulated gamma flux spectra is often within 10% or less, but there some notable differences, especially when comparing simulations using ENDF/B-VII.1 and JEFF 3.1.1 based cross section data. The comparison of photon simulations suggests that improvements are needed in the cross-section data, cross section processing codes, and/or transport codes and gamma measurement data is needed for experimental validation. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

Deep quantum circuit simulations of low-energy nuclear states

Numerical simulation is an important method for verifying the quantum circuits used to simulate low-energy nuclear states. However, real-world applications of quantum computing for nuclear theory often generate deep quantum circuits that place demanding memory and processing requirements on conventional simulation methods. Here, we present advances in high-performance numerical simulations of deep quantum circuits to efficiently verify the accuracy of low-energy nuclear physics applications. Our approach employs novel methods for accelerating the numerical simulation including management of simulated mid-circuit measurements to verify projection based state preparation circuits. In this study, we test these methods across a variety of high-performance computing systems and our results show that circuits up to 21 qubits and more than 115,000,000 gates can be efficiently simulated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Intelligently Partitioned Phasor-EMT Hybrid Simulations of Large-Scale, High-IBR Power Systems

As the penetration level of power electronics-interfaced renewables such as photovoltaics (PV) and wind has surged in modern electric grids, new operational risks caused by the dynamics of those inverter-based resources (IBRs) are emerging in parallel. Lessons learned from various grid events include that the impact of IBRs on system-level grid stability will become prominent along with the increase of renewables and that the short-timescale dynamic impacts of IBRs on grid stability are not fully captured by current commercial dynamic simulation tools [1] [2]. For example, IBRs can be controlled to mitigate those destabilizing interactions, but conventional phasor-domain tools (e.g. PSS/E, PSLF) often cannot capture that; likewise, the existing electromagnetic transient (EMT) simulation tools (e.g. PSCAD, EMTP) can simulate detailed IBR controls, but for large power systems with many IBRs, slow simulation speeds severely impede the ability to study dynamic events [3] [4]. Massively paralleling simulations using high-performance computing (HPC) can help address this, especially now that cloud-based HPC capability is widely available, but today s EMT tools are not HPC-compatible, and parallelization of dynamic simulation solvers is not trivial because each region can dynamically affect the others. Thus, dynamic simulation of grids with very large numbers of IBRs potentially poses a barrier to the ongoing energy transition.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2026

NASA JSC’s Simulant Development Lab Capabilities and Artemis Testing

The Simulant Development Lab (SDL) is a multifunctional collaborative workspace that supports the development, curation, analysis, testing, and distribution of planetary regolith simulants – including lunar, Martian, asteroidal, and other granular materials. The lab provides a multidisciplinary setting for scientific characterization of simulant physical properties and for engineering evaluations conducted with simulant test beds. To enable this work, the SDL curates and maintains a stock of more than 35 metric tons of simulant material. To evaluate these materials and support testing goals, the lab is equipped with a comprehensive suite of processing tools and analytical instruments. These capabilities enable the SDL’s mission at NASA’s Johnson Space Center to distribute, develop, process, characterize, and test regolith simulants for mission relevant applications. Through controlled and repeatable testing environments that replicate the physical and compositional properties of lunar regolith, the SDL supports Artemis hardware maturation, providing safe, Earth‑based analogs for evaluating systems that must withstand regolith dust interactions, physical wear and abrasion, and operational loads. The facility’s extensive simulant inventory and integrated geological and engineering test infrastructure accelerate technology readiness for Artemis and future exploration campaigns (e.g., future crewed or robotic missions to Mars).

Simulant Development Lab↗
DOE OSTI2022

Extended kinetic lattice grand canonical Monte Carlo simulation method for transport of multicomponent ion mixtures through a model nanopore system

Abstract An extended version of the original kinetic lattice grand canonical Monte Carlo simulation method combined with mean field theory (KLGCMC/MF) ( J. Chem. Phys. 2007 , 127, 024706) is presented for the study of transport of multicomponent ion mixtures through a model nanopore. Comparison of the extended KLGCMC/MF (eKLGCMC/MF) simulation results with Poisson–Nernst–Planck (PNP) calculations is also made to confirm the validity of the extended simulation approach. Unlike the original version of KLGCMC/MF simulation method that treats only a binary ionic solution with one cation and one anion species, this extended version can deal with a system that includes ternary ion mixtures. A diffusion probability algorithm is also added to the extended version of the simulation method to describe the inhomogeneous diffusivity of ions that is often observed in the ion permeation through nanopores. Both Legendre and Chebyshev polynomials of the second kind were tested as a basis set for the basis set expansion (BSE) method with which to calculate the reaction field energy in the eKLGCMC/MF simulation. It turned out that the Legendre polynomials perform better than the Chebyshev polynomials, and as a result, the Legendre polynomials were implemented in the current version of eKLGCMC/MF simulation algorithm. The presented eKLGCMC/MF simulation method with new features finds its potential applications in nanopore systems where the correlation between ion species with the same sign of charges plays a key role such as oscillating ion currents or anomalous mole fraction effects.

Choi, Inhyeok↗
DOE OSTI2024

Simulation of Multiphase Flow and Poromechanical Effects Around Injection Wells in CO 2 Storage Sites

In geological CO 2 storage operations, wellbore deformations and leakage pathways formations can occur around injection and abandoned wells subjected to high rates and long-term CO 2 injection. To guide engineering design and prevent CO 2 leakage risks, a full understanding of the underlying physics and robust numerical models is necessary to evaluate the response of underground formations in the near wellbore region and in the reservoir. In this study, a multi-scale and multi-physics open-source simulator (GEOS) is used to simulate multiphase flow and poromechanical deformations over time in three dimensions. The governing equations for mechanical deformations of the rock body and multiphase compositional fluid flow within the rock matrix are solved with a fully coupled finite element and finite volume approach. The Drucker–Prager model with friction hardening is applied to simulate elastoplastic deformation and a multiphase fluid model with power-law correlations for relative permeability is used to model the migration of CO 2 plume, which are coupled with numerical implicit scheme. Simulation results are verified against multiple analytical solutions for multiphase flow and wellbore problems, thus demonstrating the accuracy of this advanced simulator. In two engineering applications, here we highlight the impact of elastoplastic deformation and coupled modeling for assessing induced displacements and stress perturbations, which are more pronounced in the near wellbore regions. This work focuses on short-term processes in the vicinity of injection wells where stress evolutions, rock deformations and multiphase compositional flow and transport are simulated jointly to ensure wellbore stability and prevent damage. This fully coupled geomechanical model can simulate multiphase flow and any associated poromechanical effects within the CO 2 storage site and in the surrounding formations. Such a large-scale, long-term, multi-physics simulation model is useful in many ways: it can guide operational decisions for CO 2 injection, assess the containment potential and risks of a site, and analyze the wellbore stability and integrity during and after CO 2 injection.

58 GEOSCIENCES↗
DOE OSTI2019

Computer Modeling and Simulation: Increasing Reliability by Disentangling Verification and Validation

Verification and validation (V&V) of computer codes and models used in simulations are two aspects of the scientific practice of high importance that recently have been discussed widely by philosophers of science. While verification is predominantly associated with the correctness of the way a model is represented by a computer code or algorithm, validation more often refers to the model’s relation to the real world and its intended use. Because complex simulations are generally opaque to a practitioner, the Duhem problem can arise with verification and validation due to their entanglement; such an entanglement makes it impossible to distinguish whether a coding error or the model’s general inadequacy to its target should be blamed in the case of a failure. I argue that a clear distinction between computer modeling and simulation has to be made to disentangle verification and validation. Drawing on that distinction, I suggest to associate modeling with verification and simulation, which shares common epistemic strategies with experimentation, with validation. To explain the reasons for their entanglement in practice, I propose a Weberian ideal–typical model of modeling and simulation as roles in practice. I examine an approach to mitigate the Duhem problem for verification and validation that is generally applicable in practice and is based on differences in epistemic strategies and scopes. Based on this analysis, I suggest two strategies to increase the reliability of simulation results, namely, avoiding alterations of verified models at the validation stage as well as performing simulations of the same target system using two or more different models. In response to Winsberg’s claim that verification and validation are entangled I argue that deploying the methodology proposed in this work it is possible to mitigate inseparability of V&V in many if not all domains where modeling and simulation are used.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Newton trust-region methods with primary variable switching for simulating high temperature multiphase porous media flow

Coupling multiphase flow with energy transport due to high temperature heat sources introduces significant new challenges since boiling and condensation processes can lead to dry-out conditions with subsequent re-wetting. The transition between two-phase and single-phase behavior can require changes to the primary dependent variables adding discontinuities as well as extending constitutive nonlinear relations to extreme physical conditions. Practical simulations of large-scale engineered domains lead to Jacobian systems with a very large number of unknowns that must be solved efficiently using iterative methods in parallel on high-performance computers. Performance assessment of potential nuclear repositories, carbon sequestration sites and geothermal reservoirs can require numerous Monte-Carlo simulations to explore uncertainty in material properties, boundary conditions, and failure scenarios. Due to the numerical challenges, standard NR iteration may not converge over the range of required simulations and require more sophisticated optimization method like trust-region. In this study, we use the open-source simulator PFLOTRAN for the important practical problem of the safety assessment of future nuclear waste repositories in the U.S. DOE geologic disposal safety assessment Framework. The simulator applies the PETSc parallel framework and a backward Euler, finite volume discretization. We demonstrate failure of the conventional NR method and the success of trust-region modifications to Newton’s method for a series of test problems of increasing complexity. Trust-region methods essentially modify the Newton step size and direction under some circumstances where the standard NR iteration can cause the solution to diverge or oscillate. Furthermore, we show how the Newton Trust-Region method can be adapted for Primary Variable Switching (PVS) when the multiphase state changes due to boiling or condensation. The simulations with high-temperature heat sources which led to extreme nonlinear processes with many state changes in the domain did not converge with NR, but they do complete successfully with the trust-region methods modified for PVS. This implementation effectively decreased weeks of simulation time needing manual adjustments to complete a simulation down to a day. Finally, we show the strong scalability of the methods on a single node and multiple nodes in an HPC cluster.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Quantitative evaluations of subtropical westerly jet simulations over East Asia based on multiple CMIP5 and CMIP6 GCMs

As a salient feature of the Asian monsoon system, the East Asian subtropical westerly jet (EASWJ) exerts significant impacts on weather and climate changes in China and even throughout East Asia. In this paper, we applied a new self-adaptive algorithm to detect the EASWJ, identify its boundaries, and then represent its characteristics by defining three indices: the intensity index, meridional displacement index, and width index. Compared to the reanalysis data, we carried out a comprehensive, objective, and quantitative EASWJ evaluation using historical experiments from multiple global climate models (GCMs) in the Coupled Model Intercomparison Project Phases 5 and 6 (CMIP5 and CMIP6). The results show that the multimodel ensemble mean (MME) of both CMIP5 and CMIP6 can simulate the characteristics of winter EASWJ well. While for the other three seasons, the MME of both phase models underestimate the 200-hPa zonal wind (U200) strength in the jet coverage area and overestimate the U200 outside the jet area, such simulation results weaken the meridional shear of the wind field. The EASWJ simulations from the CMIP5 GCMs had no consistent intensity or location characteristic tendencies, and most CMIP5 GCMs tended to simulate relatively wide-coverage jets. In contrast, most CMIP6 GCMs are inclined to simulate significantly weaker, wider, and more-northward jets. Compared to the predecessors in CMIP5, about half of CMIP6 GCMs significantly minimized the jet intensity bias, but remarkable errors were still observed in their jet location and coverage representations. Furthermore, the comparative analysis performed by classifying models based on their evaluated simulation results suggested that the simulated performance of the meridional temperature gradient was important for capturing the EASWJ characteristics. Further in-depth study of the causes of model differences is warranted to improve simulation results.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Massively parallel phase-field simulations targeting exascale

The interface thickness in the phase-field (PF) method limits its simulation scales. Consequently, large-scale PF simulations become prohibitively expensive for resolving the extremely fine microstructures that typically form during rapid solidification processing. This challenge is significant in predicting microstructure evolution in metal additive manufacturing and has been identified by the United States Department of Energy’s Exascale Computing Project. Here, to address this, we develop a multi-GPU and MPI-based massively parallel simulation code, utilizing state-of-the-art algorithms, software, and libraries, for large-scale three-dimensional (3D) PF simulations. We report the first GPU-parallel PF simulations on Frontier (currently the second TOP500 exascale cluster) and Summit machines, taking dendritic growth as an example problem. We evaluate the parallel performance of our implementation using scaling studies with more than 24 000 GPUs (among the largest known computations to date) and the acceleration performance using large-scale simulations of dendritic growth in 3D. Finally, massively parallel GPUs in these supercomputers enabled the first coupled multiscale simulations of laser melting and subsequent dendritic solidification on the scale of a full melt-pool, demonstrating the feasibility of performing PF simulations with a point total over 2 billion grid points within an acceptable time.

Exascale↗
DOE OSTI2020

Estimation of stress and stress-induced permeability change in a geological nuclear waste repository in a thermo-hydrologically coupled simulation

Geologic disposal is a promising solution for a safe permanent isolation of accumulated high-level nuclear waste from nuclear powerplants. The behavior of host rock is highly coupled thermally, hydromechanically, and chemically. Numerical simulations of such coupled phenomena for the extremely long term (>100,000 years) and large length scale (>1 km) of geologic disposal remain to be computationally challenging. In this study, a methodology has been developed to approximate stress and stress-induced permeability change in host rock using only thermo-hydrological (TH) variables. A coupled thermo-hydromechanical (THM) simulation is carried out using TOUGH-FLAC simulator to model THM behaviors of a generic nuclear waste repository, in order to evaluate the performance of the developed methodology, which is implemented in a coupled TH simulation. Results show that stress and permeability change estimated by the developed methodology in the TH-coupled simulation match those calculated in the THM-coupled simulation over the simulated timeframe of over 10,000 years. Details about errors in stress and permeability estimates accrued by the developed methodology are discussed here. The developed methodology will help incorporate stress-induced permeability change into existing TH simulators for the long-term radionuclide transport in geologic disposal.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗