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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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At least 739 records · Page 41

Overlapping Domain Coupling of Multidimensional and System Codes in NEAMS - Pronghorn and SAM

This report describes the implementation and testing of domain-overlapping coupling of the Pronghorn and SAM codes. Both Pronghorn and SAM are codes developed by the DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program for analysis of advanced nuclear reactors. Pronghorn focuses on analyzing multi-dimensional core flow conditions, while SAM focuses on analysis of the entire system including, among other components, piping, pumps, and heat exchangers. It is desirable for many advanced reactor thermal-hydraulics simulations to couple Pronghorn and SAM to obtain self-consistent solutions in the core and the system. The domain-overlapping coupling approach provides a robust and numerically efficient candidate for this coupling. We describe the algorithm for obtaining self-consistent solutions between a SAM network of flow channels and an overlapped multi-dimensional Pronghorn domain. The algorithm is tested for a variety of simple canonical test problems and a model of the Molten Salt Reactor Experiment (MSRE). Results demonstrate that the domain overlapping coupling approach provides consistent pressure, mass flow rate, enthalpy, and passive scalar distributions between Pronghorn and SAM and converges reliably and efficiently (at most 15 iterations, usually much less than 10) for the considered test problems.

97 MATHEMATICS AND COMPUTING↗

Using ARM Observations to Evaluate Climate Model Simulations of Land-Atmosphere Coupling on the U.S. Southern Great Plains

Several independent measurements of warm-season soil moisture and surface atmospheric variables recorded at the ARM Southern Great Plains (SGP) research facility are used to estimate the terrestrial component of land-atmosphere coupling (LAC) strength and its regional uncertainty. The observations reveal substantial variation in coupling strength, as estimated from three soil moisture measurements at a single site, as well as across six other sites having varied soil and land cover types. The observational estimates then serve as references for evaluating SGP terrestrial coupling strength in the Community Atmospheric Model coupled to the Community Land Model. These coupled model components are operated in both a free-running mode and in a controlled configuration, where the atmospheric and land states are reinitialized daily, so that they do not drift very far from observations. Although the controlled simulation deviates less from the observed surface climate than its free-running counterpart, the terrestrial LAC in both configurations is much stronger and displays less spatial variability than the SGP observational estimates. Preliminary investigation of vegetation leaf area index (LAI) substituted for soil moisture suggests that the overly strong coupling between model soil moisture and surface atmospheric variables is associated with too much evaporation from bare ground and too little from the vegetation cover. Lastly, these results imply that model surface characteristics such as LAI, as well as the physical parameterizations involved in the coupling of the land and atmospheric components, are likely to be important sources of the problematical LAC behaviors.

54 ENVIRONMENTAL SCIENCES↗

Application of technology developed for flight simulation at NASA. Langley Research Center

In order to meet the stringent time-critical requirements for real-time man-in-the-loop flight simulation, computer processing operations including mathematical model computation and data input/output to the simulators must be deterministic and be completed in as short a time as possible. Personnel at NASA's Langley Research Center are currently developing the use of supercomputers for simulation mathematical model computation for real-time simulation. This, coupled with the use of an open systems software architecture, will advance the state-of-the-art in real-time flight simulation.

Cleveland, Jeff I., II↗

Simulation of Stochastic Processes by Coupled ODE-PDE

A document discusses the emergence of randomness in solutions of coupled, fully deterministic ODE-PDE (ordinary differential equations-partial differential equations) due to failure of the Lipschitz condition as a new phenomenon. It is possible to exploit the special properties of ordinary differential equations (represented by an arbitrarily chosen, dynamical system) coupled with the corresponding Liouville equations (used to describe the evolution of initial uncertainties in terms of joint probability distribution) in order to simulate stochastic processes with the proscribed probability distributions. The important advantage of the proposed approach is that the simulation does not require a random-number generator.

Zak, Michail↗

Simulation and Experimental Measurements of Inductively Coupled CF4 and CF4/Ar Plasmas

The recently developed code SEMS (semiconductor equipment modeling software)is applied to the simulation of CF4 and CF4/Ar inductively coupled plasmas (ICP). This work builds upon the earlier nitrogen, transformer coupled plasma (TCP) SEMS research by demonstrating its accuracy for more complex reactive mixtures, moving closer to the realization of a virtual plasma reactor. Attention is given to the etching of and/or formation of carbonaceous films on the quartz dielectric window and diagnostic aperatures. The simulations are validated through comparisons with experimental measurements using FTIR (Fourier Transform Infrared) and UV absorption spectroscopy for CFx and SiFx neutral radicals, QMS (quadrupole mass spectrometry) for the ions, and Langmuir probe measurements of electron number density and temperature in an ICP GEC reference cell.

Hash, D. B.↗

A unified heteronuclear decoupling strategy for magic-angle-spinning solid-state NMR spectroscopy

A unified strategy of two-pulse based heteronuclear decoupling for solid-state magic-angle spinning nuclear magnetic resonance is presented. The analysis presented here shows that different decoupling sequences like two-pulse phase-modulation (TPPM), X-inverse-X (XiX), and finite pulse refocused continuous wave (rCW{sup A}) are basically specific solutions of a more generalized decoupling scheme which incorporates the concept of time-modulation along with phase-modulation. A plethora of other good decoupling conditions apart from the standard, TPPM, XiX, and rCW{sup A} decoupling conditions are available from the unified decoupling approach. The importance of combined time- and phase-modulation in order to achieve the best decoupling conditions is delineated. The consequences of different indirect dipolar interactions arising from cross terms comprising of heteronuclear and homonuclear dipolar coupling terms and also those between heteronuclear dipolar coupling and chemical-shift anisotropy terms are presented in order to unfold the effects of anisotropic interactions under different decoupling conditions. Extensive numerical simulation results are corroborated with experiments on standard amino acids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparison of the PHISICS/RELAP5-3D ring and block model results for phase I of the OECD/NEA MHTGR-350 benchmark

The PHISICS code system has been under development at INL since 2010. It consists of several modules providing improved coupled core simulation capability: INSTANT (3D nodal transport core calculations), MRTAU (depletion and decay heat generation) and modules performing criticality searches, fuel shuffling and generalized perturbation. Coupling of the PHISICS code suite to the thermal hydraulics system code RELAP5-3D was finalized in 2013, and as part of the verification and validation effort the first phase of the OECD/NEA MHTGR-350 Benchmark has now been completed. The theoretical basis and latest development status of the coupled PHISICS/RELAP5-3D tool are described in more detail in a concurrent paper. This paper provides an overview of the OECD/NEA MHTGR-350 Benchmark and presents the results of Exercises 2 and 3 defined for Phase I. Exercise 2 required the modelling of a stand-alone thermal fluids solution at End of Equilibrium Cycle for the Modular High Temperature Reactor (MHTGR). The RELAP5-3D results of four sub-cases are discussed, consisting of various combinations of coolant bypass flows and material thermophysical properties. Exercise 3 required a coupled neutronics and thermal fluids solution, and the PHISICS/RELAP5-3D code suite was used to calculate the results of two sub-cases. The main focus of the paper is a comparison of results obtained with the traditional RELAP5-3D “ring” model approach against a much more detailed model that include kinetics feedback on individual block level and thermal feedbacks on a triangular sub-mesh. The higher fidelity that can be obtained by this “block” model is illustrated with comparison results on the temperature, power density and flux distributions. Furthermore, it is shown that the ring model leads to significantly lower fuel temperatures (up to 10%) when compared with the higher fidelity block model, and that the additional model development and run-time efforts are worth the gains obtained in the improved spatial temperature and flux distributions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Retreat and Regrowth of the Greenland Ice Sheet During the Last Interglacial as Simulated by the CESM2‐CISM2 Coupled Climate–Ice Sheet Model

Abstract During the Last Interglacial, approximately 129 to 116 ka (thousand years ago), the Arctic summer climate was warmer than the present, and the Greenland Ice Sheet retreated to a smaller extent than its current state. Previous model‐derived and geological reconstruction estimates of the sea‐level contribution of the Greenland Ice Sheet during the Last Interglacial vary widely. Here, we conduct a transient climate simulation from 127 to 119 ka using the Community Earth System Model (CESM2), which includes a dynamic ice sheet component (the Community Ice Sheet Model, CISM2) that is interactively coupled to the atmosphere, land, ocean, and sea ice components. Vegetation distribution is updated every 500 years based on biomes simulated using a monthly climatology to force the BIOME4 equilibrium vegetation model. Results show a substantial retreat of the Greenland Ice Sheet, reaching a minimum extent at 121.9 ka, equivalent to a 3.0 m rise in sea level relative to the present day, followed by gradual regrowth. In contrast, a companion simulation employing static vegetation based on pre‐industrial conditions shows a much smaller ice‐sheet retreat, highlighting the importance of the changes in high‐latitude vegetation distribution for amplifying the ice‐sheet response.

54 ENVIRONMENTAL SCIENCES↗

Classical and quantum simulations of 1+1-dimensional ${\mathbb{Z}}_{2}$ gauge theory at finite temperature and density

Simulating strongly coupled gauge theories at finite temperature and density is a longstanding challenge in nuclear and high-energy physics with fundamental implications for condensed matter physics. Here, we simulate such systems using minimally entangled typical thermal state (METTS) approaches, which combine classical random sampling with imaginary-time evolution, implementable on either classical or quantum computers, to estimate thermal averages of observables. We study 1+1-dimensional ${\mathbb{Z}}_{2}$ gauge theory coupled to spinless fermionic matter, which maps onto a local quantum spin chain. We benchmark both a classical matrix-product-state implementation of METTS and a recently proposed adaptive variational approach for near-term quantum devices, focusing on the equation of state and measures of fermion confinement. Of particular importance is the choice of basis for METTS sampling, which impacts both the sampling overhead and quantum circuit complexity. Our work sets the stage for future studies of strongly coupled gauge theories using classical and quantum hardware.

Chen, I-Chi [Iowa State Univ., Ames, IA (United St↗

A representative-sandwich model for simultaneously coupled mechanical-electrical-thermal simulation of a lithium-ion cell under quasi-static indentation tests

The safety behavior of lithium-ion batteries under external mechanical crush is a critical concern, especially during large scale deployment. We previously presented a sequentially coupled mechanical-electrical-thermal modeling approach for studying mechanical abuse induced short circuit. Here in this work, we study different mechanical test conditions and examine the interaction between mechanical failure and electrical-thermal responses, by developing a simultaneous coupled mechanical-electrical-thermal model. The present work utilizes a single representative-sandwich (RS) to model the full pouch cell with explicit representations for each individual component such as the active material, current collector, separator, etc. Anisotropic constitutive material models are presented to describe the mechanical properties of active materials and separator. The model predicts accurately the force-strain response and fracture of battery structure, simulates the local failure of separator layer, and captures the onset of short circuit for lithium-ion battery cell under sphere indentation tests with three different diameters. Electrical-thermal responses to the three different indentation tests are elaborated and discussed. Lastly, numerical studies are presented to show the potential impact of test conditions on the electrical-thermal behavior of the cell after the occurrence of short circuit.

25 ENERGY STORAGE↗

Multiphysics and Multiscale Simulation Methods for Electromagnetic Energy Assisted Fossil Fuel to Hydrogen Conversion (Final Scientific/Technical Report)

This report summarizes the technical accomplishments of the four-year research project “Multiphysics and Multiscale Simulation Methods for Electromagnetic Energy Assisted Fossil Fuel to Hydrogen Conversion” (Award No. DE-FE0032092), conducted at Howard University and the University of Houston (subawardee) from September 2021 to August 2025. The project successfully achieved all four major objectives: 1. 3D Structural Characterization – Developed 3D optical imaging and mechanical sectioning methods to characterize catalyst distribution and support morphology in nickel foam substrates. Successfully reconstructed 3D geometries and imported them into COMSOL Multiphysics for electromagnetic simulations. 2. EM Hotspot Simulation – Created all-frequency stable electromagnetic formulations and 3D nodal discontinuous Galerkin (NDG) methods for coupled electromagnetic-thermal-fluid problems in multiscale catalytic media. Demonstrated stable solutions from DC to microwave frequencies. 3. Multiphysics Coupling – Developed multiscale simulation methods coupling FEM electromagnetic solvers with thermal transport equations. Reactive molecular dynamics (ReaxFF MD) simulations were performed to investigate catalytic reaction mechanisms at the atomistic level. Demonstrated electromagnetic-thermal co-simulation capabilities for porous catalyst structures. 4. System Optimization – Designed and optimized EM-assisted catalytic systems using nickel foam and carbon foam structures, demonstrating significant temperature increases due to microwave heating. Observed and characterized plasma generation in carbon fiber catalysts. Investigated multiple reaction chamber geometries for improved microwave energy deposition. The project produced significant scientific contributions including 15+ peer-reviewed publications, trained multiple Ph.D. students and undergraduate researchers, and advanced the understanding of microwave-assisted hydrogen production from fossil fuels.

08 HYDROGEN↗

FEAMAC-CARES Software Coupling Development Effort for CMC Stochastic-Strength-Based Damage Simulation

Reported here is a coupling of two NASA developed codes: CARES (Ceramics Analysis and Reliability Evaluation of Structures) with the MACGMC composite material analysis code. The resulting code is called FEAMACCARES and is constructed as an Abaqus finite element analysis UMAT (user defined material). Here we describe the FEAMACCARES code and an example problem (taken from the open literature) of a laminated CMC in off-axis loading is shown. FEAMACCARES performs stochastic-strength-based damage simulation response of a CMC under multiaxial loading using elastic stiffness reduction of the failed elements.

Reliability↗

Combined modeling of acceleration, transport, and hydrodynamic response in solar flares. II. Inclusion of radiative transfer with RADYN

Solar flares involve complex processes that are coupled and span a wide range of temporal, spatial, and energy scales. Modeling such processes self-consistently has been a challenge in the past. Here we present results from simulations that couple particle kinetics with hydrodynamics (HD) of the atmospheric plasma. We combine the Stanford unified Fokker–Planck code that models particle acceleration and transport with the RADYN HD code that models the atmospheric response to collisional heating by accelerated electrons through detailed radiative transfer calculations. We perform simulations using two different electron spectra, one an ad hoc power law and the other predicted by the model of stochastic acceleration by turbulence or plasma waves. Surprisingly, the later model, even with energy flux ≪10{sup 10} erg s{sup −1} cm{sup −2}, can cause “explosive” chromospheric evaporation and drive stronger up- and downflows (and HD shocks). This is partly because our acceleration model, like many others, produces a spectrum consisting of a quasi-thermal component plus a power-law tail. We synthesize emission-line profiles covering different heights in the lower atmosphere, including Hα 6563 Å, He ii 304 Å, Ca ii K 3934 Å, and Si iv 1393 Å. One interesting result is the unusual high temperature (up to a few times 10{sup 5} K) of the formation site of He ii 304 Å, which is expected owing to photoionization-recombination under flare conditions, compared to those in the quiet Sun dominated by collisional excitation. When compared with observations, our results can constrain the properties of nonthermal electrons and thus the poorly understood particle acceleration mechanism.

79 ASTRONOMY AND ASTROPHYSICS↗

High-yield and high-angular-fluence neutron generation from deuterons accelerated by laser-driven collisionless shock

Since a bright collimated neutron source is an essential tool for global security missions and fundamental scientific research. In this paper, we study a compact high-yield and high-angular-fluence neutron source particularly suitable for high-energy neutron applications utilizing the breakup reaction of laser-driven deuterons in a 9 Be converter. The neutron generation scaling from such a reaction is used to guide the choice and optimization of the acceleration process for bulk ions in a low density CD 2 foam. In particular, the collisionless shock acceleration mechanism is exploited with proper choice in the laser and target parameter space to accelerate these ions toward energies above the temperature of the distribution. Particle-in-cell and Monte Carlo simulations are coupled here to investigate this concept and possible adverse effects as well as the contribution from the surface ions accelerated and the optimal converter design. The simulation results indicated that our design can be a practical approach to increase both the neutron yield and angular fluence of laser-driven neutron sources, reaching >10 11 neutron/pulse (or >10 8 neutron/J) and >10 11 neutron/sr (or >10 8 neutron/sr/J) with present-day kJ-class high-power lasers. Such developments will advance fundamental neutron science, high precision radiography, and other global security applications with laser-driven sources.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Simulation of the Onset of the Southeast Asian Monsoon during 1997 and 1998: The Impact of Surface Processes

The onset of the southeast Asian monsoon during 1997 and 1998 was simulated by coupling a mesoscale atmospheric model (MM5) and a detailed, land surface model, PLACE (the Parameterization for Land-Atmosphere-Cloud Exchange). The rainfall results from the simulations were compared with observed satellite data from the TRMM (Tropical Rainfall Measuring Mission) TMI (TRMM Microwave Imager) and GPCP (Global Precipitation Climatology Project). The control simulation with the PLACE land surface model and variable sea surface temperature captured the basic signatures of the monsoon onset processes and associated rainfall statistics. Sensitivity tests indicated that simulations were sigmficantly improved by including the PLACE land surface model. The mechanism by which the land surface processes affect the moisture transport and the convection during the onset of the southeast Asian monsoon were analyzed. The results indicated that land surface processes played an important role in modifying the low-level wind field over two major branches of the circulation: the southwest low-level flow over the Indo-china peninsula and the northern, cold frontal intrusion from southern China. The surface sensible and latent heat fluxes modified the low-level temperature distribution and gradient, and therefore the low-level wind due to the thermal wind effect. The more realistic forcing of the sensible and latent heat fluxes from the detailed, land surface model improved the low-level wind simulation apd associated moisture transport and convection.

Wang, Yansen↗

Simulation of the Onset of the Southeast Asian Monsoon during 1997 and 1998: The Impact of Surface Processes

The onset of the southeast Asian monsoon during 1997 and 1998 was simulated by coupling a mesoscale atmospheric model (MM5) and a detailed, land surface model, PLACE (the Parameterization for Land-Atmosphere-Cloud Exchange). The rainfall results from the simulations were compared with observed satellite data from the TRMM (Tropical Rainfall Measuring Mission) TMI (TRMM Microwave Imager) and GPCP (Global Precipitation Climatology Project). The control simulation with the PLACE land surface model and variable sea surface temperature captured the basic signatures of the monsoon onset processes and associated rainfall statistics. Sensitivity tests indicated that simulations were significantly improved by including the PLACE land surface model. The mechanism by which the land surface processes affect the moisture transport and the convection during the onset of the southeast Asian monsoon were analyzed. The results indicated that land surface processes played an important role in modifying the low-level wind field over two major branches of the circulation: the southwest low-level flow over the Indo-China peninsula and the northern, cold frontal intrusion from southern China. The surface sensible and latent heat fluxes modified the low-level temperature distribution and merit, and therefore the low-level wind due to the thermal wind effect. The more realistic forcing of the sensible and latent heat fluxes from the detailed, land surface model improved the low-level wind simulation and associated moisture transport and convection.

Wang, Yansen↗

Comparative modelling of the coupled thermal–hydraulic-mechanical (THM) processes in a heated bentonite pellet column with hydration

For the deep geological disposal of high-level radioactive waste in argillaceous rocks, the heat production of the waste is an important driver for thermal–hydraulic-mechanical (THM)-coupled processes. These THM processes influence the properties and conditions of the near field that in many repository designs contains bentonite as a clay buffer. One task in the DECOVALEX-2015 (DEvelopment of COupled models and their VALidation against Experiments) project was the modelling of a heated bentonite column (Villar et al. in Long-term THM tests reports: THM cells for the HE-E test: update of results until February 2014. Deliverable-no: D2.2-7.3. CIEMAT Technical Report IEMAT/DMA/2G210/03/2014, 2014) in preparation for the in situ heater experiment HE-E at the underground rock laboratory Mont Terri. DECOVALEX is an international cooperative project that focuses on the development and validation of mathematical models for simulating such coupled processes associated with disposal in deep geological repositories. Eight modelling teams developed their own THM-coupled models for the bentonite column experiment, using six different simulation codes. Each of the teams individually calibrated the THM parameters for the bentonite material. The eight resulting parameter sets agree well and allow a satisfactory reproduction of the TH measurements by all models. The modelling results for the evolution of temperature and relative humidity over time at three sensors in the bentonite column are in good agreement between the teams and with the measured data. Also, changes of the temperature due to modifications of the insulation and the adjustment of the heating power during the course of the experiment are well reproduced. The models were thus able to reproduce the main physical processes of the experiment, both for vapour-dominated diffusion during the heating phase and combined liquid and vapour transport during a subsequent heating and hydration phase. Lastly, based on the parameter sets, the teams predict a penetration of the water infiltration front in the 48-cm column filled with bentonite pellets to a depth between 25 and 35 cm over the 15,000 h (i.e. over 20 months) of the hydration phase of the experiment.

58 GEOSCIENCES↗

Cross-verification of the global gyrokinetic codes GENE and XGC

A detailed cross-verification between two global gyrokinetic codes, the core continuum code GENE and the edge particle-in-cell code XGC, for the linear and nonlinear simulations of ion-temperature-gradient modes is carried out. With the recent developments in the edge gyrokinetics, it may be feasible someday to describe the whole tokamak plasma on turbulence timescales using a coupled gyrokinetic simulation model. Before pursuing this, the core code (GENE) and the edge code (XGC) must be carefully benchmarked with each other. The present verification provides a solid basis for future code coupling research. Also included in the benchmarking is the global particle-in-cell code ORB5, to raise the confidence in the quality of the obtained results. An excellent agreement between all three codes is obtained. Lastly, in order to facilitate a benchmark framework for other codes, we make a specific effort to provide all the relevant input parameters and precise details for each code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗