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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

MAS: A versatile Landau-fluid eigenvalue code for plasma stability analysis in general geometry

We have developed a new global eigenvalue code, Multiscale Analysis for plasma Stabilities (MAS), for studying plasma problems with wave toroidal mode number (n) and frequency (ω) in a broad range of interest in general tokamak geometry, based on a five-field Landau-fluid description of thermal plasmas. Beyond keeping the necessary plasma fluid response, we further retain the important kinetic effects including diamagnetic drift, ion finite Larmor radius, finite parallel electric field (E||), ion and electron Landau resonances in a self-consistent and non-perturbative manner without sacrificing the attractive efficiency in computation. The physical capabilities of the code are evaluated and examined in the aspects of both theory and simulation. In theory, the comprehensive Landau-fluid model implemented in MAS can be reduced to the well-known ideal MHD model, electrostatic ion-fluid model, and drift-kinetic model in various limits, which clearly delineates the physics validity regime. In simulation, MAS has been well benchmarked with theory and other gyrokinetic and kinetic-MHD hybrid codes in a manner of adopting the unified physical and numerical framework, which covers the kinetic Alfv\'en wave (KAW), ion sound wave (ISW), low-n kink, high-n ion temperature gradient mode (ITG) and kinetic ballooning mode (KBM). Moreover, MAS is successfully applied to model the Alfv\'en eigenmode (AE) activities in DIII-D discharge #159243, which faithfully captures the frequency sweeping of reversed shear Alfv\'en eigenmode (RSAE), the tunneling damping of toroidal Alfv\'en eigenmode (TAE), as well as the polarization characteristics of kinetic beta-induced Alfv\'en eigenmode (KBAE) and beta-induced Alfv\'en-acoustic eigenmode (BAAE) being consistent with former gyrokinetic theory and simulation. With respect to the key progress contributed to the community, MAS has the advantage of combining rich physics ingredients, realistic global geometry and high computation efficiency together for plasma stability analysis in linear regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A Study on Computational Cost Reduction of Simulations of Phase-Change Material (PCM) Embedded Heat Exchangers

Thermal storage can be implemented using Phase-Change Materials (PCM), which absorb significant latent heat with a relatively small temperature change. PCM phase-change processes are transient and are driven by thermal diffusion and natural convection – the latter, especially for melting process. Modeling and simulation of PCM heat exchangers (HX’s) is typically computationally intensive due to the relatively complex time-dependent physics. Most of the PCM modeling work in the literature uses high-order modeling tools such as Computational Fluid Dynamics (CFD) and Lattice-Boltzmann Method (LBM). For design purposes, the existing PCM modeling approaches are not practical, limiting researchers in their ability to investigate new ideas and different PCM’s with faster turnarounds. This paper presents a study investigating the reduction of computational cost of PCM embedded HX’s CFD models by evaluating the feasibility of spatial reduction without losing accuracy. The analysis consists of comparing full and partial domain under full melting conditions. The subject of this study is a single straight tube with circular transverse fins in the vertical orientation, using PCM’s with 35oC nominal melting temperature. Different tube and fin dimensions are investigated. Results indicate that the reduced domain reproduces - in half the run time - the same behavior as the full domain since the buoyancy effects are localized and patterned. The outputs from the partial domain simulation were used to build a non-general correlation for the PCM heat transfer characteristics and demonstrated how it can be implemented in a Finite Control Volume Reduced Order Model (ROM). The ROM can accurately reproduce the CFD simulations at 4 to 5 orders of magnitude faster.

25 ENERGY STORAGE↗
DOE OSTI2023

Release on the Virtual Test Bed of a Molten Salt Reactor Experiment SAM-Pronghorn Coupled Model using the Domain Overlapping Approach

The nuclear industry is taking leaps in innovations with companies seeking a sustainable energy future through advanced nuclear reactors. The Department of Energy (DOE)’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program seeks to substantiate and bolster the deployment of advanced reactors through flexible multifidelity, multiphysics simulations of advanced nuclear reactors. Applications like SAM for one-dimensional systems thermalhydraulics, and Pronghorn for multidimensional coarse mesh thermal-hydraulics, are geared to support innovations in industry by facilitating design, optimization, and licensing of advanced nuclear reactors. Coupling systems thermal-hydraulics and computational fluid dynamics codes can be difficult as the pressure coupling converges slowly; however, it is important to obtain the desired accuracy in each part of the primary loop. The authors of this model created an Overlapping-Domain Coupling (ODC) approach to coupling SAM and Pronghorn. Leveraging this coupling technique, a Molten Salt Reactor Experiment (MSRE) model was developed and released to the NEAMS/National Reactor Innovation Center (NRIC) Virtual Test Bed (VTB). The MSRE was chosen to be modeled because of the wealth of experimental data available and because of the strong physics coupling between the core and primary circuit. This paper contextualizes the history of the MSRE, describes the thermal hydraulics models used, and detail the implementation of multidimensional thermal-hydraulics and system codes based on the ODC method for the MSRE model. Finally, this paper presents how other modelers could apply the SAM Pronghorn ODC for other advanced reactor models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Accelerating transients with NekRS: GPU overlapping domain implementation and multi-rate timestepping

The simulation of nuclear transients using Computational Fluid Dynamics (CFD) presents significant computational challenges due to the inherent complexity and the wide separation in temporal scales between various flow physical phenomena. These disparities lead to high computational costs, often making the simulation of transients impractical without advanced techniques. Consequently, multiple research initiatives are being pursued by the NEAMS thermal-hydraulic area, some driven by academic institutions and some by national laboratories. Overall, they are exploring novel methods to make transient simulations more feasible and efficient. This report delves into recent advancements within the CFD code NekRS, specifically those achieved in Fiscal Year 2024 under the CONNECT effort, aimed at improving the performance and feasibility of transient simulations. The first major advancement involves the porting of NekRS to Aurora, one of the Department of Energy’s (DOE) most powerful supercomputers. Additionally, the report discusses the implementation of an overlapping domain capability within NekRS. This novel GPU-accelerated capability allows different spatial regions of the domain to be solved independently, enhancing the code’s efficiency, particularly when running large-scale simulations in complex domains. The scalability of this approach is demonstrated, highlighting its potential to transform how transients are approached in CFD simulations. Lastly, the report focuses on how this overlapping domain capability specifically accelerates transient simulations through multi-rate timestepping. By decoupling different regions and facilitating faster computations, this method offers a promising pathway to making nuclear transient simulations more computationally feasible, addressing one of the critical bottlenecks in the field. Together, these advancements represent a significant leap forward in transient simulation technology, bringing closer the possibility of handling highly complex nuclear scenarios with greater efficiency and accuracy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Deconvoluting thermomechanical effects in X-ray diffraction data using machine learning

X-ray diffraction is ideal for probing the sub-surface state during complex or rapid thermomechanical loading of crystalline materials. However, challenges arise as the size of diffraction volumes increases due to spatial broadening and because of the inability to deconvolute the effects of different lattice deformation mechanisms. Here, we present a novel approach that uses combinations of physics-based modeling and machine learning to deconvolve thermal and mechanical elastic strains for diffraction data analysis. The method builds on a previous effort to extract thermal strain distribution information from diffraction data. The new approach is applied to extract the evolution of the thermomechanical state during laser melting of an Inconel 625 wall specimen which produces significant residual stress upon cooling. A combination of heat transfer and fluid flow, elasto-plasticity and X-ray diffraction simulations is used to generate training data for machine-learning (Gaussian process regression, GPR) models that map diffracted intensity distributions to underlying thermomechanical strain fields. First-principles density functional theory is used to determine accurate temperature-dependent thermal expansion and elastic stiffness used for elasto-plasticity modeling. The trained GPR models are found to be capable of deconvoluting the effects of thermal and mechanical strains, in addition to providing information about underlying strain distributions, even from complex diffraction patterns with irregularly shaped peaks.

36 MATERIALS SCIENCE↗
DOE OSTI2022

SAM-ML: Integrating data-driven closure with nuclear system code SAM for improved modeling capability

Advanced reactors often involve complicated thermal-fluid (T-F) phenomena. Modeling such phenomena with the traditional one-dimensional (1-D) system code is a challenging task. The System Analysis Module (SAM), a modern nuclear system code, has developed a coarse mesh multi-dimensional (multi-D) flow model to capture the spatial effect of T-F phenomena in advanced reactors. As a coarse mesh solver, constitutive relations are required for SAM's multi-D model for unresolved fine-scale physics, such as turbulence. Here this work presents a novel approach that integrates neural networks as data-driven closure for SAM's multi-D flow model. The data-driven closure is trained with fine-resolution data to ensure its accuracy while maintaining a coarse mesh setup to ensure its efficiency and consistency with SAM. We demonstrate the applicability of this SAM-ML capability in an open volume thermal stratification problem, where a neural network model serves as the eddy viscosity closure. A customized interface between the neural network and SAM is developed to ensure flexible and efficient data exchange. The SAM-ML results demonstrate superior performance compared to SAM's built-in zero-equation eddy viscosity closure. The case study shows that although the generalization capability of the data-driven closure still needs to be improved for different transient case or different geometric setup, SAM -ML demonstrates good potential for challenging simulation problems with improved accuracy and computational efficiency.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Finite element modeling of electropolishing of radio frequency dipole Nb crab cavity in hydrofluoric-sulfuric acid electrolyte

The superior performance of niobium superconducting radio frequency (SRF) cavities is achieved through meticulous surface treatment, notably via chemical electropolishing, ensuring exceptionally smooth surfaces. While this technique has been extensively employed for cylindrically symmetric structures, addressing more intricate geometries poses significant challenges in achieving uniform polishing and controlled material removal, especially when moving away from retractable cathodes. This presents a multifaceted electrochemical, thermal, and fluid dynamics conundrum. A prime example is the 197 MHz radio frequency dipole (RFD) crabbing cavity proposed for the Electron Ion Collider (EIC) project, exemplifying such complex structures. Our groundbreaking work integrates the localized oxide thickness variation, considering its impact on current distribution and Joule heating, within the framework of multi-physics modeling using the COMSOL® simulation suite. This approach was applied to a comprehensive model of the RFD cavity, allowing us to investigate optimal external cooling water flow conditions necessary for achieving desirable outcomes. In conclusion, this illustrates the increasing utility of such multi-physics codes to greatly aid in designing solutions to challenging processing requirements for increasingly complex accelerator cavities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Implementation and verification of a model linearized multi-species collision operator in the COGENT code

We implement the multi-species linearized model collision operator, based on the approach proposed by Kolesnikov, in the full-f continuum gyrokinetic code COGENT. We describe the operator and use it in several COGENT simulations of highly collisional plasmas. We analyze simulation results with the Braginskii fluid model to illustrate that COGENT recovers both friction and thermal forces. Finally, we simulate the neoclassical transport of heavy impurities with COGENT and illustrate agreement with previously published theoretical results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Non-conformal attractor in boost-invariant plasmas

We study the dissipative evolution of (0+1)-dimensionally expanding media with Bjorken symmetry using the Boltzmann equation for massive particles in relaxation-time approximation. Breaking conformal symmetry by a mass induces a non-zero bulk viscous pressure in the medium. It is shown that even a small mass (in units of the local temperature) drastically modifies the well-known attractor for the shear Reynolds number previously observed in massless systems. For generic nonzero particle mass, neither the shear nor the bulk viscous pressure relax quickly to a non-equilibrium attractor; they approach the hydrodynamic limit only late, at small values of the inverse Reynolds numbers. Only the longitudinal pressure, which is a combination of thermal, shear and bulk viscous pressures, continues to show early approach to a far-off-equilibrium attractor, driven by the rapid longitudinal expansion at early times. Second-order dissipative hydrodynamics based on a gradient expansion around locally isotropic thermal equilibrium fails to reproduce this attractor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Development of five-moment two-fluid modeling for Z-pinch physics

The Z-pinch m = 0 instability as well as its stabilization by radially sheared axial flow is studied using the nonlinear ideal five-moment twofluid (5M2F) model with an extension of that model to include Braginskii heat and momentum transport. Using the ideal 5M2F model, linear growth rate results are compared with prior work using MHD and Hall MHD. At small normalized wavenumber, 1 < k a < 4 , where a is the effective pinch radius, 5M2F results agree with Hall MHD within 20% in scenarios without radially sheared axial flow. With the sheared flow and focusing on ka = 10/3, agreement with Hall MHD is excellent. In the limit of small ion inertial length, results also match with MHD. A comparison with PIC modeling of shear-free m = 0 stability focuses on a plasma scenario based on recent experimental results. In a scan of mode wavenumber, ideal 5M2F results are qualitatively similar to PIC: the growth rate rises to a peak at a moderate wavenumber and declines at a large wavenumber in contrast to MHD results, which show the saturation of the growth rate with the increasing wavenumber rather than a decline. The peak normalized 5M2F growth rate is &#x3B3; &#x3C4; A = 1.5 , where sA is the Alfven transit time across the pinch. The peak occurs at normalized wavenumber ka = 10. For comparison, PIC results have a peak growth of &#x3B3; &#x3C4; A = 0.77 at ka = 5. Including Braginskiibased closure of the 5M2F model does not qualitatively change the ideal results in this particular case. Nonlinear saturation is studied using the 5M2F model with the dissipative Braginskii-based closure in cases with pinch-edge sheared-flow speed equal to half the Alfven speed. Nonlinear mixing due to the sheared flow yields a quasi-steady state after modest losses of pinch ion inventory and pinch thermal energy, approximately 30% and 10%, respectively. 5M2F modeling captures the essential physics of m = 0 instability and offers a computationally tractable route to high-fidelity modeling of 3D Z-pinch behavior, including m = 1 instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Optimization of WAAM Process to Produce AUSC Components with Increased Service Life

Additive manufacturing has the potential to revolutionize industrial hardware and unlock efficiency gains through the fabrication of geometries and architectures not possible by conventional processing. Wire Arc Additive manufacturing (WAAM) process is a class of directed energy deposition process enabling higher build rate and allowing custom wire feedstock allowing spatial variation of microstructure. The larger spot size and lower speed creates a larger melt pool, reducing residual stress and often time creating directional/columnar microstructure for Ni-superalloy. The use of flexible platform provides freedom in deposition strategy, which can accommodate complex substrates, including feature addition onto existing structures, non-flat layers, and repair methods. However, the certification of the final component needs to match the strength requirement. Hence, the quality of the component produced is stringently monitored to avoid buildup of residual stress, cracks, porosity and to reduce detrimental segregated phases commonly observed during alloy solidification. Simulation plays a huge role in predicting the melt pool dimension and can be used to optimize the process parameter. Similar development is also required to perform physics-based modeling of microstructural development in WAAM that can predict the microstructural features during solidification and can be used to optimize the process more effectively. To move toward this goal, Raytheon Technologies Research Center together with Siemens worked to create a set of computational tools to control the process parameters, enable on-line measurements and acquisition with feedback to the optimized process parameters, and eventually track material evolution through each step of the additive process. Computational fluid dynamics is used for accurate prediction and calibration of the thermal field during WAAM process. and phase field models for microstructure evolution as a function of processing parameters to establish a connection between additive parameters and the final microstructure. Here we report cellular automata (CA) model development to predict the dendritic microstructure evolution with surface and bulk nuclei for single track and multiple layers. The CA model was developed to account for secondary element addition and predict segregation, local melting, and latent heat release as well as prediction of Euler angles from orientation information and validated against experiments. This framework was utilized to tailor spatially-varying composition in a part by appropriately controlling the microstructure evolution during the additive process. Functionally graded Haynes 282 alloy with high Cr content at the surface was tested for oxidation and mechanical properties. An advanced physics-based reaction-diffusion model predicting the simultaneous creation of chromium oxide and alumina is developed and validated to extend life expectancy of the WAAM manufactured high temperature part. A machine-learning data-driven framework establishing the process-structure relationship from a dataset of real microstructure images and corresponding process history data has been developed and implemented in the NX Siemens design system. The digital twin configuration along with the tool path generation enabled prediction of WAAM component buildup time and the techno-economic analysis provided a favorable option for all 4 cases with 15-40% cost reduction.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Generation of excited species in a streamer discharge

At or near atmospheric pressure, most transient discharges, particularly in molecular gases or gas mixture containing molecular gases result in a space-charge dominated transport called a streamer discharge. The excited species generation in such discharges forms the basis for plasma chemistry in most technological applications. In this paper we simulate the propagation of streamers in atmospheric pressure N 2 to understand the energy partitioning in the formation of various excited species and compare the results to a uniform Townsend discharge. The model is fully two-dimensional with azimuthal symmetry. Results show a significantly larger fraction of the energy goes into vibrational excitation of the N 2 ground state in a streamer-type discharge in comparison to a Townsend discharge. For lower applied voltages, the anode-directed (negative) steamer is slightly more efficient in channeling energy for excited species production in comparison to a cathode-directed (positive) streamer. Near 70% overvoltage both types of streamers show very similar energy partitioning but quite different from a Townsend discharge.

42 ENGINEERING↗
DOE OSTI2021

Reimagining full wave rf quasilinear theory in a tokamak

The velocity dependent resonant interaction of particles with applied radio frequency (rf) waves during heating and current drive in the presence of pitch angle scattering collisions gives rise to narrow collisional velocity space boundary layers that dramatically enhance the role of collisions as recently shown by Catto (J. Plasma Phys., vol. 86, 815860302, 2020). The behavior is a generalization of the narrow collisional boundary layer that forms during Landau damping as found by Johnston (Phys. Fluids, vol. 14, 1971, pp. 2719-2726) and Auerbach (Phys. Fluids, vol. 20, 1977, pp. 1836-1844). For a wave of parallel wave number k|| interacting with weakly collisional plasma species of collision frequency ν and thermal speed vth , the effective collision frequency becomes of order ν(k_||v_th /ν)^2/3>> ν . The narrow boundary layers that arise because of the diffusive nature of the collisions allows a physically meaningful wave-particle interaction time to be defined that is the inverse of this effective collision frequency. The collisionality implied by the narrow boundary layer results in changes in the standard quasilinear treatment of applied rf fields in tokamaks while remaining consistent with causality. These changes occur because successive poloidal interactions with the rf are correlated in tokamak geometry and because the resonant velocity space dependent interactions are controlled by the spatial and temporal behavior of the perturbed full wave fields rather than just the spatially local Landau and Doppler shifted cyclotron wave-particle resonance condition associated with unperturbed motion of the particles. The correlation of successive poloidal circuits of the tokamak leads to the appearance in the quasilinear operator of transit averaged resonance conditions localized in velocity space boundary layers that maintain negative definite entropy production.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Thermally fluctuating, semiflexible sheets in simple shear flow

Fluctuating semiflexible sheets dispersed in a fluid are simulated under simple shear flow. A dynamical crumpling transition is observed, flipping statistics are quantified, and rheological properties are estimated for dilute suspensions of sheets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Cosmological decoherence from thermal gravitons

A bstract We study the effects of gravitationally-driven decoherence on tunneling processes associated with false vacuum decays, such as the Coleman-De Luccia instanton. We compute the thermal graviton-induced decoherence rate for a wave function describing a perfect fluid of nonzero energy density in a finite region. When the effective cosmological constant is positive, the thermal graviton background sourced by a de Sitter horizon provides an unavoidable decoherence effect, which may have important consequences for tunneling processes in cosmological history. We discuss generalizations and consequences of this effect and comment on its observability and applications to black hole physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Explicit simulation of the Brownian rotation of arbitrary shaped aerosol particles using quaternions

The shape of an aerosol particle strongly influences its mass and momentum transfer cross-sections, charging properties, and other physical properties. Here, we present an explicit time-stepping procedure to simulate the rotational Brownian motion of arbitrary shaped aerosol particles by solving Euler’s equation of rotation. A Langevin formulation of the rotation equations is used, wherein Brownian motion due to thermal collisions between a particle and background gas molecules is represented using a stochastic fluctuating torque and fluid resistance is included as a drag torque. To avoid singularities associated with describing the orientation of a shape with Euler angles, we employ a quaternion formulation that leads to first-order stochastic differential equations to describe the evolution of the angular position and angular velocity of a rigid body. We perform all the rotational dynamics calculations in the body-fixed frame of reference attached to the rotating shape whose basis vectors are the normalized eigenvectors of the inertia tensor of the particle. Numerical solutions to rotation under torque-free conditions, damped rotation without Brownian motion, and stochastic rotation for arbitrary shapes are presented and discussed. The presented method enables time-resolved simulation of Brownian rotation for direct comparison with experimentally measured trajectories or statistical measures. The second order accuracy of the used time-stepping procedure places a severe restriction on the timestep that can be used for obtaining accurate results. Animations of presented simulations are included for visualizing rotational motion at various gas pressures. To aid implementation, MATLAB ® codes are also provided. Extension to include translation Brownian motion is straightforward.

Roy, Mrittika↗
DOE OSTI2021

Validation of Oregon State University High Temperature Test Facility Experiments Using Pronghorn

The OSU High Temperature Test Facility is a quarter-scale diameter, 1/64 scale volume test facility meant to replicate thermophysical phenomena in the prototypical General Atomics Modular High Temperature Gas Reactor. Tests pertaining to conduction cooldown events were performed from 2016-2019, providing a large database by which computational methods that are applicable to different length scales can be validated. One of these codes is Pronghorn, which is a coarse-meshed, porous-based subchannel thermal hydraulics code based on the MOOSE application, with the intention of better capturing the physics of both conduction and convection heat transfer within the OSU HTTF core. The goal of this summer project is to develop the framework by which Pronghorn can perform validation exercises of the HTTF core for benchmarking, by generating a mesh appropriate to the geometry of the HTTF core, developing input decks that accurately capture the initial and boundary conditions, materials, and relevant equations to the physics seen in the HTTF core, and using a postprocessor to compare simulation results to various experimental data. While validation of codes is a multi-year project, a mesh has been generated and tested in Pronghorn that meets mass conservation and basic heat transfer principles. The next step is to accurate depict the fluid inlet and outlet boundary conditions, which will be performed using computational fluid dynamics software.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗