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NASA NTRS2019

Reassessment of Electromagnetic Core-Mantle Coupling and Its Implications to the Earth's Decadal Polar Motion

The observed Earth's polar motion on decadal time scales has long been conjectured to be excited by the exchange of equatorial angular momentum between the solid mantle and the fluid outer core, via the mechanism of electromagnetic (EM) core-mantle coupling. However, past estimations of the EM coupling torque from surface geomagnetic observations is too weak to account for the observed decadal polar motion. Our recent estimations from numerical geodynamo simulations have shown the opposite. In this paper, we re-examine in detail the EM coupling mechanism and the properties of the magnetic field in the electrically conducting lower mantle (characterized by a thin D″-layer at the base of the mantle). Our simulations find that the toroidal field in the D″-layer from the induction and convection of the toroidal field in the outer core could be potentially much stronger than that from the advection of the poloidal field in the outer core. The former, however, cannot be inferred from geomagnetic observations at the Earth's surface, and is missing in previous EM torque estimated from geomagnetic observations. Our deduction suggests further that this field could make the actual EM coupling torque sufficiently strong, at approximately 5 × 10(exp 19) Nm, to excite, and hence explain, the decadal polar motion to magnitude of approximately 10 mas.

Kuang, Weijia↗
NASA NTRS2020

Toward Coupled Data Assimilation in NASA’s GEOS: Developments in the Ocean Context

The Global Modeling & Assimilation Office (GMAO) at NASA GSFC produces analyses and predictions of the Earth system using various configurations of the Goddard Earth Observing System (GEOS) model and assimilation system. The current sub-seasonal-to-seasonal prediction system (GEOS-S2S) is based on a coupled atmosphere-ocean-land-ice configuration of GEOS which includes the Modular Ocean Model version 5 (MOM5) run at approximately 50-km resolution and a de-coupled OI-based ocean analysis that uses an initialization of MOM5 forced by the MERRA-2 reanalysis. GMAO will soon implement an updated GEOS-S2S system that will run at 25-km resolution and adopt aspects of the hybrid four-dimensional ensemble-variational (H4DEnVar) system already running in the production-version atmospheric analysis system, including a Local Ensemble Transform Kalman Filter (LETKF) to provide initial conditions for the oceanic state. This presentation will focus on developments to sustain the GMAO's systems on longer time horizons, where more radical transformations will be required to adapt to advanced computing environments, higher resolution and more diverse model components, and new observations for the Earth system. Results will describe progress toward a version of the GEOS coupled system that will be based around the Joint Effort for Data assimilation Integration (JEDI) framework being developed within Joint Center for Satellite Data Assimilation (JCSDA) and include an updated ocean model, MOM6. Discussion will focus specifically on the use of a Unified Forward Operator (UFO) for simulating observations and the Object Oriented Prediction System (OOPS) for providing the state estimate. These features are being developed as a multi-agency effort under the auspices of the JCSDA and are being adopted in the GMAO for all its applications of coupled data assimilation including S2S, numerical weather prediction, and reanalysis.

Mahajan, Rahul↗
NASA NTRS2011

Coupled Fluids-Radiation Analysis of a High-Mass Mars Vehicle

The NEQAIR line-by-line radiation code has been incorporated into the DPLR Navier-Stokes flow solver such that the NEQAIR subroutines are now callable functions of DPLR. The coupled DPLR-NEQAIR code was applied to compute the convective and radiative heating rates over high-mass Mars entry vehicles. Two vehicle geometries were considered - a 15 m diameter 70-degree sphere cone configuration and a slender, mid-L/D vehicle with a diameter of 5 m called an Ellipsled. The entry masses ranged from 100 to 165 metric tons. Solutions were generated for entry velocities ranging from 6.5 to 9.1 km/s. The coupled fluids-radiation solutions were performed at the peak heating location along trajectories generated by the Traj trajectory analysis code. The impact of fluids-radiation coupling is a function of the level of radiative heating and the freestream density and velocity. For the high-mass Mars vehicles examined in this study, coupling effects were greatest for entry velocities above 8.5 km/s where the surface radiative heating was reduced by up 17%. Generally speaking, the Ellipsled geometry experiences a lower peak radiative heating rate but a higher peak turbulent convective heating rate than the MSL-based vehicle.

Palmer, Grant↗
NASA NTRSDate not supplied

ANALYSIS OF THE MSL/MEDLI ENTRY DATA WITH COUPLED CFD AND MATERIAL RESPONSE.

The Mars Science Laboratory (MSL) was protected during its atmospheric entry by an instrumented heat-shield using NASA's Phenolic Impregnated Carbon Ablator (PICA) material. PICA is a lightweight carbon fiber/polymeric resin material that offers out-standing performances for protecting probes during planetary entry. The Mars Entry Descent and Landing Instrument (MEDLI) suite on MSL offers unique in-flight validation data for models of material response and atmospheric entry. MEDLI recorded, among other things, time-resolved in-depth temperature data of PICA using thermocouple sensors assembled in the MEDLI Integrated Sensor Plugs (MISP). The objective of this work is to showcase and analyze the coupling between the material response and the aerothermal environment. As shown in Figure 1, the workflow is divided into the following steps. First, the aerothermal properties are computed in the Data Parallel Line Relaxation (DPLR) code [3] and used with the Nonequilibrium air radiation (NEQAIR) program [8] to compute radiative heating. Second, the thermal response inside the material is computed in the Porous material Analysis Toolbox based on Open-FOAM (PATO) using a fixed blowing correction parameter. Third, the pyrolysis gases computed in PATO are used as inputs to a blowing boundary condition within DPLR. Fourth, the new environment properties from DPLR are used in NEQAIR to provide an updated solution, then both the updated aerothermal environment and radiative heating are used in PATO without blowing correction. The third and fourth steps are then repeated until convergence in surface temperature is obtained. Convergence in the radiative heating is generally achieved before surface temperature, at which point the radiative heating is no longer updated. Char mass loss rates are forced to zero to produce a non-receding surface condition. For early time points in the trajectory, where flow around the MSL aeroshell is rarefied, the Direct Simulation Monte Carlo (DSMC) code, SPARTA, is used to compute the aerothermal environment. Iteration between PATO and SPARTA is not performed due to the computational cost of DSMC simulations. Preliminary results of the coupling between PATO and DPLR for the MSL heatshield atmospheric entry model are presented in Figures 2-4 at 65 seconds after entry interface. Figure 2 shows the surface temperature results from an uncoupled simulation in PATO with the blowing correction parameter applied (left) along with the coupled surface temperature after iteration (right). Figure 3 shows the surface temperature along the centerline from windward to leeward for easier comparison. Figure 4 shows the coupled and uncoupled pyrolysis gas blowing rate. Mars 2020 used a similar heatshield consisting of PICA for thermal protection during entry, descent, and landing. In preparation for Mars 2020 post-flight analysis, the predictive material response capability is benchmarked against flight data from MEDLI. This work represents an important milestone toward the development of validated predictive capabilities for designing thermal protection systems for planetary probes.

Mars Science Laboratory↗
NASA NTRSDate not supplied

Analysis of MSL/MEDLI Entry Data with Coupled CFD and Material Response

The Mars Science Laboratory (MSL) was protected during its atmospheric entry by an instrumented heatshield using NASA's Phenolic Impregnated Carbon Ablator (PICA) material [1]. PICA is a lightweight carbon fiber/polymeric resin material that offers outstanding performances for protecting probes during planetary entry. The Mars Entry Descent and Landing Instrument (MEDLI) suite on MSL offers unique in-flight validation data for models of material response and atmospheric entry. MEDLI recorded, among other things, time-resolved in-depth temperature data of PICA using thermocouple sensors assembled in the MEDLI Integrated Sensor Plugs (MISP) [2]. The objective of this work is to showcase and analyze the coupling between the material response and the aerothermal environment. As shown in Figure 1, the workflow is divided into the following steps. First, the aerothermal properties are computed in the Data Parallel Line Relaxation (DPLR) code [3] and used with the Nonequilibrium air radiation (NEQAIR) program [8] to compute radiative heating. Second, the thermal response inside the material is computed in the Porous material Analysis Toolbox based on OpenFOAM (PATO) [4,5,6] using a fixed blowing correction parameter. Third, the pyrolysis gases computed in PATO are used as inputs to a blowing boundary condition within DPLR. Fourth, the new environment properties from DPLR are used in NEQAIR to provide an updated solution, then both the updated aerothermal environment and radiative heating are used in PATO without blowing correction. The third and fourth steps are then repeated until convergence in surface temperature is obtained. Convergence in the radiative heating is generally achieved before surface temperature, at which point the radiative heating is no longer updated. Char mass loss rates are forced to zero to produce a non-receding surface condition. For early time points in the trajectory, where flow around the MSL aeroshell is rarefied, the Direct Simulation Monte Carlo (DSMC) code, SPARTA [7], is used to compute the aerothermal environment. Iteration between PATO and SPARTA is not performed due to the computational cost of DSMC simulations. Preliminary results of the coupling between PATO and DPLR for the MSL heatshield atmospheric entry model are presented in Figures 2-4 at 65 seconds after entry interface. Figure 2 shows the surface temperature results from an uncoupled simulation in PATO with the blowing correction parameter applied (left) along with the coupled surface temperature after iteration (right). Figure 3 shows the surface temperature along the centerline from windward to leeward for easier comparison. Figure 4 shows the coupled and uncoupled pyrolysis gas blowing rate. Mars 2020 used a similar heatshield consisting of PICA for thermal protection during entry, descent, and landing. In preparation for Mars 2020 post-flight analysis, the predictive material response capability is benchmarked against flight data from MEDLI. This work represents an important milestone toward the development of validated predictive capabilities for designing thermal protection systems for planetary probes.

Thermal Protection Systems↗
NASA NTRS2023

Coupled Fluid Dynamics and Material Response Simulations for Nitrogen High Enthalpy Flows

The study focuses on the interaction of nitrogen flows with thermal protection systems during atmospheric re-entry for NASA flight missions. The Ares multiphysics coupling tool is employed to investigate the coupling between the fluid (US3D) and material response (Icarus) solvers using various modeling approaches. These approaches include the equilibrium thin-film coefficients approach, a weakly coupled approach with temperature coupling, and an approach considering the full chemical composition of the surface and the transfer of pyrolysis gases. The objective is to understand and accurately represent the mechanisms of nitrogen interaction with the surface, such as nitridation and catalytic recombination. The study aims to assess the accuracy of the different approaches by comparing them to experimental results obtained from NASA arc-jet facilities. By addressing these challenges and improving the understanding of nitrogen-surface interactions, it is expected to enhance the design and performance analysis of thermal protection systems for future missions.

Ablation↗
NASA NTRS2023

Efficient Two-Way Coupled Analysis of Steady-State Particle-Laden Hypersonic Flows

A direct solution approach for surface erosion in particle-laden hypersonic flows is extended for use in low-cost two-way coupled solutions of dilute gas-particle flows. The Trajectory Control Volume method, which uses a sparse set of probe particles to predict surface erosion distributions on general vehicles, is reformulated for the solution of source terms by mean trajectory subdivision and computing a flux differencing. The approach is verified successfully against a boundary layer solution and shown to agree well with experimental measurements. A representative Mars entry case, with conditions and geometry based on the ExoMars Schiaparelli capsule, is solved with the approach to study the impact of two-way coupling on surface heating and erosion. Results indicate that for realistic loading conditions, heating is largely unmodified compared to one-way coupled results at peak heating trajectory conditions, and no measureable difference is observed in the surface erosion rate. At exaggerated loading conditions high enough to observe coupling effects, the worst case collisional heating can increase heating by up to 60%.

Particle Laden Flow↗
NASA NTRSDate not supplied

Coupled Material Response Simulations of Dragonfly Capsule and DrEAM Reconstruction

Icarus is a three-dimensional, unstructured, finite-volume material response solver developed at NASA Ames Research Center and has been recently used to analyze the material response of the Dragonfly capsule for a variety of problems. Since the Dragonfly capsule will be instrumented in a similar manner to the Mars 2020 and MSL capsules, it is important to assess how our current simulation tools can aid in understanding Dragonfly Entry Aerosciences Measurements (DrEAM). In this presentation, the Ares multi-physics tool that couples Icarus to the flow and radiation physics of the aerothermal environment will be used to better understand how modeling sensitivities might affect environment reconstructions and our understanding of measured data. Ares couples Icarus to the US3D flow solver and NERO, a reduced-order, finite-volume radiation transport solver and uses a customized time-scale management to enable coupled simulations for a large portion of the Dragonfly trajectory. As a result of the coupling, a more accurate and consistent assessment of modelling sensitivities to aerothermal reconstruction can be assessed. For example, the radiometer is sensitive to the quantity of CN in the flow, which is a byproduct of the free-stream methane but also the pyrolysis gas products injected into the boundary layer due to ablation of the heatshield. Ares will be used to conduct a simulation of the full Dragonfly capsule for 50 seconds of the trajectory. The different aerothermal and material response models will be discussed and the key results will be presented in terms of the simulated thermocouple and radiometer measurements on the backshell.

Ablation↗
NASA NTRSDate not supplied

Observations of Solar Wind-Magnetosphere-Ionosphere Coupling and Its Impact on Equatorial Ionospheric Electrodynamics During the March and April 2023 Geomagnetic Storms

The low-latitude ionosphere is effectively shielded from the high latitude convection electric field during geomagnetic quiet times because region-2 field-aligned currents associated with the partial ring current act to oppose the convection electric field associated with region-1 field-aligned currents. However, the low-latitude ionosphere can be directly coupled to the enhanced magnetospheric electric field through prompt penetration of convection electric field during periods of strong solar wind-magnetosphere interaction. The mechanisms that lead to the generation of prompt penetration electric field during enhanced solar wind-magnetosphereionosphere coupling are complex and not fully understood. We study the evolution of field-aligned currents and the equatorial electrojet during the March and April 2023 geomagnetic storm to understand the processes involving solar wind disturbances interacting with the magnetosphere and coupling into the polar ionosphere, and how the low-latitude ionosphere responded to the enhanced magnetosphere-ionosphere coupling. We will present the observations in the solar windmagnetosphere-ionosphere system, in particular, field-aligned currents at high latitude ionosphere by Swarm and the equatorial electrojet by Swarm and ground-based magnetometers.

Guan Le↗
NASA NTRSDate not supplied

Coupling a Computational Fluid Dynamics Model to a Spacecraft Thermal System Model for the DraMS Instrument Thermal Analysis

The Dragonfly Mass Spectrometer (DraMS) is an instrument on the Dragonfly mission, which will spend 7 years in deep space cruise before landing and operating on the surface of Titan. Vacuum thermal analyses are required for deep space cruise, and convection analyses are required for the Titan surface operations. Model exchanges across multiple thermal teams are needed for all phases of the mission. For DraMS, Thermal Desktop® (TD) has been the main thermal analytical tool of choice due to its capability in modeling complex thermal systems with relatively low computational power and for its availability across thermal teams. However, TD does not have computational fluid dynamics (CFD) capability and struggles to accurately capture complex convective behavior. DraMS has fans operating in tandem and gas flow behaviors are not easily predicted due to its complex flow paths. CFD software, such as Fluent, can model and predict such complex flow behaviors, but CFD models are computationally expensive, and its workflow processes are not tailored towards simulating large and complex systems. Therefore, a coupled modeling approach was chosen for DraMS: A TD model was used for simulating all the conductive, radiative, and source terms, while a Fluent CFD model was added on, as needed, to the TD model to provide the convective boundary conditions using the System Coupling software. The coupling software allows the TD and Fluent models to communicate data and arrive at a co-solved and co-converged solution. Furthermore, Thermal Iso-value Exchange (TIE) method was developed to facilitate and improve the TD-Fluent data exchange process. This paper will discuss the analytical studies that were done to verify the accuracy and usability of the coupled approach and the challenges associated, which lead to the development of the TIE approach. DraMS thermal design and co-solved analysis results will also be discussed.

Heat transfer↗
NASA NTRSDate not supplied

Assessment of Pioneer Venus Entry Heating with Coupled Radiation and Ablation

The objective of this work is to reconstruct thermocouple temperature measurements taken at the stagnation point of the Pioneer Venus large probe using uncoupled and coupled ablation calculations. The time history of the large probe forebody entry heating was obtained from a trajectory-based analysis that employed a material response solver to model equilibrium and nonequilibrium ablation chemistry at the surface. In the uncoupled approach, equilibrium ablation chemistry was assumed in the material response calculations, but the material response outputs were not returned to the flowfield solver. Therefore, the effects of char and pyrolysis gas injection into the boundary layer due to ablation (e.g., convective blockage and radiative energy absorption) did not influence the flowfield solutions. In the coupled approach, nonequilibrium ablation chemistry was performed and the material response outputs were returned to the flowfield solver. Therefore, the effects of char and pyrolysis gas injection into the boundary layer were accounted for in the flowfield solutions. Both uncoupled and coupled approaches produced reconstructed temperatures that were within 10% of the flight measurements through the entry heat pulse, with the coupled results comparing more favorably with the measurements. Overall, the reconstructed thermocouple temperatures in this work significantly improved on the results of previous reconstructions for the large probe.

Jannuel V V Cabrera↗
NASA NTRSDate not supplied

Coupling a Computational Fluid Dynamics (CFD) Model to a Spacecraft Thermal System Model for the DraMS Instrument Thermal Analysis

The Dragonfly Mass Spectrometer (DraMS) is an instrument on the Dragonfly mission, which will spend 7 years in deep space cruise before landing and operating on the surface of Titan. Vacuum thermal analyses are required for deep space cruise, and convection analyses are required for the Titan surface operations. Model exchanges across multiple thermal teams are needed for all phases of the mission. For DraMS, Thermal Desktop (TD) has been the main thermal analytical tool of choice due to its capability in modeling complex thermal systems with relatively low computational power and for its availability across thermal teams. However, TD does not have computational fluid dynamics (CFD) capability and struggles to accurately capture complex convective behavior. DraMS has fans operating in tandem and gas flow behaviors are not easily predicted due to its complex flow paths. CFD software, such as Fluent, can model and predict such complex flow behaviors, but CFD models are computationally expensive, and its workflow processes are not tailored towards simulating large and complex systems. Therefore, a coupled modeling approach was chosen for DraMS: A TD model was used for simulating all the conductive, radiative, and source terms, while a Fluent CFD model was added on, as needed, to the TD model to provide the convective boundary conditions using the System Coupling software. The coupling software allows the TD and Fluent models to communicate data and arrive at a co-solved and co-converged solution. Furthermore, Thermal Iso-value Exchange (TIE) method was developed to facilitate and improve the TD-Fluent data exchange process. This paper will discuss the analytical studies that were done to verify the accuracy and usability of the coupled approach and the challenges associated, which lead to the development of the TIE approach. DraMS thermal design and co-solved analysis results will also be discussed.

heat transfer↗
NASA NTRSDate not supplied

Toward NASA/GMAO Coupled Data Assimilation Using JEDI

NASA’s Global Modeling and Assimilation Office (GMAO) is establishing coupled Earth system capabilities using the Joint Effort for Data Assimilation Integration (JEDI) framework, developed in collaboration with the Joint Center for Satellite Data Assimilation(JCSDA). Marine and atmospheric components will utilize a weakly-coupled data assimilation approach. The implementation of the sea-ice, ocean, and coupled analysis (SOCA) component of JEDI is highlighted here, while parallel work on atmospheric data assimilation is also in progress. Improvements to the ocean data assimilation system (ODAS) include: 1) adopting the JEDI framework, 2) a new coupled GCM, and 3) incorporation of new observation sources.

Dorukhan Ardağ↗
DOE OSTI2013

A Local Incident Flux Response Expansion Transport Method for Coupling to the Diffusion Method in Cylindrical Geometry

A local incident flux response expansion transport method is developed to generate transport solutions for coupling to diffusion theory codes regardless of their solution method (e.g., fine mesh, nodal, response based, finite element, etc.) for reactor core calculations in both two-dimensional (2-D) and three-dimensional (3-D) cylindrical geometries. In this approach, a Monte Carlo method is first used to precompute the local transport solution (i.e., response function library) for each unique transport coarse node, in which diffusion theory is not valid due to strong transport effects. The response function library is then used to iteratively determine the albedo coefficients on the diffusion-transport interfaces, which are then used as the coupling parameters within the diffusion code. This interface coupling technique allows a seamless integration of the transport and diffusion methods. The new method retains the detailed heterogeneity of the transport nodes and naturally constructs any local solution within them by a simple superposition of local responses to all incoming fluxes from the contiguous coarse nodes. A new technique is also developed for coupling to fine-mesh diffusion methods/codes. The local transport method/module is tested in 2-D and 3-D pebble-bed reactor benchmark problems consisting of an inner reflector, an annular fuel region, and a controlled outer reflector. It is found that the results predicted by the transport module agree very well with the reference fluxes calculated directly by MCNP in both benchmark problems.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2014

Tool coupling for the design and operation of building energy and control systems based on the Functional Mock-up Interface standard

This paper describes software tools developed at the Lawrence Berkeley National Laboratory (LBNL) that can be coupled through the Functional Mock-up Interface standard in support of the design and operation of building energy and control systems. These tools have been developed to address the gaps and limitations encountered in legacy simulation tools. These tools were originally designed for the analysis of individual domains of buildings, and have been difficult to integrate with other tools for runtime data exchange. The coupling has been realized by use of the Functional Mock-up Interface for co-simulation, which standardizes an application programming interface for simulator interoperability that has been adopted in a variety of industrial domains. As a variety of coupling scenarios are possible, this paper provides users with guidance on what coupling may be best suited for their application. Furthermore, the paper illustrates how tools can be integrated into a building management system to support the operation of buildings. These tools may be a design model that is used for real-time performance monitoring, a fault detection and diagnostics algorithm, or a control sequence, each of which may be exported as a Functional Mock-up Unit and made available in a building management system as an input/output block. We anticipate that this capability can contribute to bridging the observed performance gap between design and operational energy use of buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

Detection of J-coupling using atomic magnetometer

An embodiment of a method of detecting a J-coupling includes providing a polarized analyte adjacent to a vapor cell of an atomic magnetometer; and measuring one or more J-coupling parameters using the atomic magnetometer. According to an embodiment, measuring the one or more J-coupling parameters includes detecting a magnetic field created by the polarized analyte as the magnetic field evolves under a J-coupling interaction.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

THE APPLICATION OF MAMMOTH FOR A DETAILED TIGHTLY COUPLED FUEL PIN SIMULATION WITH A STATION BLACKOUT

Accurate calculation of desired quantities to predict fuel behavior requires the solution of interlinked equations representing different physics. Traditional fuels performance codes often rely on internal empirical models for the pin power density and a simplified boundary condition on the cladding edge. These simplifications are performed because of the difficulty of coupling applications or codes on differing domains and mapping the required data. To demonstrate an approach closer to first principles, the neutronics application Rattlesnake and the thermal hydraulics application RELAP-7 were coupled to the fuels performance application BISON under the master application MAMMOTH. A single fuel pin was modeled based on the dimensions of a Westinghouse 17x17 fuel rod. The simulation consisted of a depletion period of 1343 days, roughly equal to three full operating cycles, followed by a station blackout (SBO) event. The fuel rod was depleted for 1343 days for a near constant total power loading of 65.81 kW. After 1343 days the fission power was reduced to zero (simulating a reactor shut-down). Decay heat calculations provided the time-varying energy source after this time. For this problem, Rattlesnake, BISON, and RELAP-7 are coupled under MAMMOTH in a split operator approach. Each system solves its physics on a separate mesh and, for RELAP-7 and BISON, on only a subset of the full problem domain. Rattlesnake solves the neutronics over the whole domain that includes the fuel, cladding, gaps, water, and top and bottom rod holders. Here BISON is applied to the fuel and cladding with a 2D axi-symmetric domain, and RELAP-7 is applied to the flow of the circular outer water channel with a set of 1D flow equations. The mesh on the Rattlesnake side can either be 3D (for low order transport) or 2D (for diffusion). BISON has a matching ring structure mesh for the fuel so both the power density and local burn up are copied accurately from Rattlesnake. At each depletion time step, Rattlesnake calculates a power density, fission density rate, burn-up distribution and fast flux based on the current water density and fuel temperature. These are then mapped to the BISON mesh for a fuels performance solve. BISON calculates the fuel temperature and cladding surface temperature based upon the current power density and bulk fluid temperature. RELAP-7 then calculates the fluid temperature, water density fraction and water phase velocity based upon the cladding surface temperature. The fuel temperature and the fluid density are then passed back to Rattlesnake for another neutronics calculation. Six Picard or fixed-point style iterations are preformed in this manner to obtain consistent tightly coupled and stable results. For this paper a set of results from the detailed calculation are provided for both during depletion and the SBO event. We demonstrate that a detailed calculation closer to first principles can be done under MAMMOTH between different applications on differing domains.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Neural Network Enhanced RKPM for Electrochemical-Mechanical Coupled Damage Modeling of Energy Storage Materials

Energy storage materials undergo significant charge cycling, which makes understanding their reliability and durability fundamental in predicting performance and service life. Strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking, largely along material interfaces and grain boundaries. For Li-ion batteries, for example, lithium moving between electrodes during charging and discharging process causes expansion and contraction of grains, and the strongly anisotropic and nonlinearly [Li]-dependent grain material properties can cause grains to expand into and contract away from each other, leading to chemo-mechanical cracking. In the first part of this work, a RKPM based computational framework for solving the coupled solid-phase lithium conservation with Fickian diffusion and the lithium concentration dependent anisotropic mechanical problem subjected to a highly nonlinear Butler-Volmer boundary condition is introduced. The choice of RKPM completeness conditions for lithium concentration and mechanical deformation fields, and the variational consistency condition for the domain integration of the coupled problem is first determined. In the second part of this work, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1] is leveraged to accurately capture damage and crack propagation throughout the material, by learning the location, orientation, and sharpness of discontinuity while allowing for a coarser nodal distribution than that is necessary for capturing sharp solution transitions using traditional mesh-based methods. NN-RKPM is used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure.

damage modeling↗