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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Hybrid particle-spectral method for kinetic plasma simulations

A hybrid model for numerical solutions of the Vlasov–Poisson equations is presented, which blends spectral and particle approaches. The model splits the distribution function for plasma species into both spectral and particle representations in the velocity space to combine the advantages of each approach. The spectral representation leverages asymmetrically weighted Hermite basis, whereas the particle representation leverages the particle-in-cell method. Configuration phase space is decomposed with the Fourier method, which is well suited for periodic problems. We derive conservation equations for mass, momentum, and energy for the proposed combined method. It is shown that the coupling error between the two methods is absent in the semi-discrete setting (not taking into account time discretization). Finally, numerical test cases are presented simulating a weak electron beam interaction with plasma, leading to beam–plasma instability. The initially localized electron beam evolved into a highly non-equilibrium distribution function in the velocity space. A small growth rate and the resonance nature of instability make it difficult to obtain accurate solutions for purely particle methods due to noise, which falls as ∼1/Np with a number of particles. At the same time, purely spectral methods may require a large number of modes to capture the highly non-equilibrium state of the evolved beam. We show that the hybrid method is well suited for such problems: it reproduces the linear stage as well as nonlinear dynamics with sufficient accuracy using a highly non-equilibrium distribution function.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

A high-order explicit Runge-Kutta approximation technique for the shallow water equations

Here, we introduce a high-order space–time approximation of the Shallow Water Equations with sources that is invariant-domain preserving (IDP), well-balanced with respect to rest states, and employs a novel explicit Runge–Kutta (ERK) introduced in Ern and Guermond (SIAM J. Sci. Comput. 44(5), A3366–A3392, 2022) for systems of non-linear conservation equations. The resulting method is then numerically illustrated through verification and validation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Dimensionless parameters for cloudy Rayleigh-Bénard convection: Supersaturation, Damköhler, and Nusselt numbers

In steady-state Rayleigh-Bénard convection, heat is transported by turbulent thermal convection from the bottom, hot surface to the top, cold surface, leading to a height-independent sensible heat flux. When water vapor is present and cloud formation occurs, there is also an additional latent heat flux. Heat transport in cloudy Rayleigh-Bénard convection depends on turbulent flow as well as the microphysical state of the clouds: specifically, whether substantial supersaturations exist and whether cloud liquid water is removed through sedimentation/precipitation. In this article we bridge between the Rayleigh-Bénard convection literature and the atmospheric literature. We express the governing equations for cloudy convection in dimensionless form, thereby explicitly identifying the governing parameters relevant to the cloudy case, including Schmidt, Damköhler, supersaturation, and sedimentation numbers. We further connect to the atmospheric literature by obtaining a Nusselt number (dimensionless heat flux) for a cloud-convection system, directly from the conservation equations for temperature and water vapor. This flux has the same form as that identified by Zhang et al. [L. Zhang, K. L. Chong, and K.-Q. Xia, J. Fluid Mech. 874, 1041 (2019)] for convection with water vapor, but is extended to the cloudy case. For equal thermal and water vapor diffusivities, the flux corresponds to the widely used atmospheric quantities equivalent temperature and moist static energy. Using large eddy simulation (LES) of an idealized cloudy Rayleigh-Bénard convection system with fixed boundary conditions, we find that the equivalent heat flux (Nusselt number) is only weakly dependent on the microphysical details of the system, such as liquid water mixing ratio and cloud droplet number concentration. Finally, from the results, we show the vertical profiles of sensible and latent heat fluxes depend on the liquid water content, whereas the equivalent heat flux remains a constant throughout the height of the chamber.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A whole-core steady-state thermal-hydraulic model for annular fuel type fluoride-salt-cooled reactors

A whole-core, steady-state thermal-hydraulic model is developed for the fluoride-salt-cooled small modular advanced high-temperature reactor (SmAHTR) that employs an annular fuel configuration. This pre-conceptual reactor design by Oak Ridge National Laboratory (ORNL) has the annular fuel and moderator pins arranged in a hexagonal layout. The FLiBe coolant flows from the bottom to the top of the core, parallel to the hexagonal bundle. The fuel and moderator pins in the core are discretized into finite volumes and the 3-D heat conduction equation is solved to obtain the temperature profile. Inter-fuel assembly conduction is also addressed. For this fuel assembly configuration, the coolant flows through two distinct regions – the hexagonal pin bundle and the annulus between the fuel pin and the tie rod. The fluid flow through the hexagonal bundles is modeled using the subchannel approach, in which the coolant region is discretized into corner, edge and interior subchannels and the resulting conservation equations are systematically solved. The 1-D mass, momentum and energy equations are solved for the annulus channels between the fuel pin and the tie rod. Pertinent closure models from the literature are employed to close the system of equations. We also performed a preliminary code-to-code comparison between the present model and a CFD model.. The resulting thermal-hydraulic model can provide temperature, flow rate and pressure drop profiles for the different solid and fluid regions throughout the entire core. Whole-core thermal-hydraulic results for a representative power profile are presented and discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Hybrid particle-spectral method for kinetic plasma simulations

A hybrid model for numerical solutions of the Vlasov–Poisson equations is presented, which blends spectral and particle approaches. The model splits the distribution function for plasma species into both spectral and particle representations in the velocity space to combine the advantages of each approach. The spectral representation leverages asymmetrically weighted Hermite basis, whereas the particle representation leverages the particle-in-cell method. Configuration phase space is decomposed with the Fourier method, which is well suited for periodic problems. We derive conservation equations for mass, momentum, and energy for the proposed combined method. It is shown that the coupling error between the two methods is absent in the semi-discrete setting (not taking into account time discretization). Finally, numerical test cases are presented simulating a weak electron beam interaction with plasma, leading to beam–plasma instability. The initially localized electron beam evolved into a highly non-equilibrium distribution function in the velocity space. A small growth rate and the resonance nature of instability make it difficult to obtain accurate solutions for purely particle methods due to noise, which falls as ~1/$\sqrt{N_p}$ with a number of particles. At the same time, purely spectral methods may require a large number of modes to capture the highly nonequilibrium state of the evolved beam. We show that the hybrid method is well suited for such problems: it reproduces the linear stage as well as nonlinear dynamics with sufficient accuracy using a highly non-equilibrium distribution function.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Constraining accuracy of the pairwise velocities in N -body simulations using scale-free models

We present a continuation of an analysis that aims to quantify resolution of N-body simulations by exploiting large (up to N = 4096 3 ) simulations of scale-free cosmologies run using abacus. Here, we focus on radial pairwise velocities of the matter field, both by direct estimation and through the cumulative two-point correlation function (using the pair conservation equation). We find that convergence at the 1 per cent level of the mean relative pairwise velocity can be demonstrated over a range of scales, evolving from a few times the grid spacing at early times to slightly below this scale at late times. We show the analysis of two different box sizes as well as from averaging results from the smaller boxes, and compare the power of the two aforementioned estimators in constraining accuracy at each scale. Down to scales of the order of the smoothing parameter, convergence is obtained at ∼5 per cent precision, and shows a behaviour indicating asymptotic stable clustering. In conclusion, we also infer for LCDM simulations conservative estimates on the evolution of the lower cut-off to resolution (at 1 and 5 per cent precision) as a function of redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Non-local model for surface tension in fluid-fluid simulations

We propose a non-local model for surface tension obtained in the form of an integral of a molecular-force-like function with support 3.5e added to the Navier-Stokes momentum conservation equation. We demonstrate analytically and numerically that with the non-local model interfaces with a radius of curvature larger than the support length behave macroscopically and microscopically, otherwise. For static droplets, the pressure difference Pe,in - Pe,out satisfies the Young-Laplace law for droplet radius greater than 3.5e and other- wise deviates from the Young-Laplace law. The latter indicates that the surface tension in the proposed model decreases with decreasing radius of curvature, which agrees with molecular dynamics and experimental studies of nanodroplets. Using the non-local model we perform numerical simulations of droplets under dynamic conditions, including a rising droplet, a droplet in shear flow, and two colliding droplets in shear flow, and compare results with a standard Navier-Stokes model subject to the Young-Laplace boundary condition at the fluid-fluid interface implemented via the Conservative Level Set (CLS) method. We find good agreement with existing numerical methods and analytical results for a rising macroscopic droplet and a droplet in a shear flow. For colliding droplets in shear flow, the non- local model converges (with respect to the grid size) to the correct behavior, including sliding, coalescence, and merging and breaking of two droplets depending on the capillary number. In contrast, we find that the results of the CLS model are highly grid-size dependent.

Howard, Amanda A.↗
DOE OSTI2022

Numerical Modeling of Atmospheric Rime Ice Accretion on an Airfoil Using an Eulerian Approach

This paper presents an approach to numerically simulate the inherently unsteady rime ice accretion problem on a two-dimensional airfoil and elucidate the associated variations under different icing conditions. The airflow field and the water impingement on the airfoil are obtained based on an Eulerian two-phase model. A dynamic mesh strategy is employed to unsteadily account for the changes in the ice profile and its impact on the air and droplet flow by continuously reconstructing the computational grid at each time-step through smoothing and layering mechanisms. All main icing modules including the airflow field, droplet trajectory, icing thickness profile, and mesh management are fully coupled within the same computational framework without resorting to any external tools. Classical icing theory is employed to model the rime ice roughness, and it is assumed that the ice accretes in a direction normal to the airfoil surface. The governing Reynolds-averaged Navier–Stokes (RANS) conservation equations along with the energy and continuity equations are solved to produce the velocity and temperature fields. A convective film heat transfer coefficient is computed based on the surface heat flux and a recovery temperature which takes into account the dissipative heat release in the boundary layer in the vicinity of the airfoil surface. With the implemented strategy and calculating the convective heat transfer coefficient, the water film thickness is also calculated along with the ice shape. Furthermore, the model is validated by comparing the local collection efficiency distribution and ice shape with experimental data, and the results show that the implemented approach provides acceptable predictions of ice accretion profiles and rates.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Quasi-Steady Simulation of Glaze Ice Accretion and Heat Transfer in the Supercooled Large Droplet Regime in Atmospheric Turbulent Air Flow

Abstract To avoid the use of a computationally intensive full unsteady simulation while providing an accurate solution, a quasi-steady simulation has been performed to study glaze and mixed ice accretion in the supercooled large droplet (SLD) regime in turbulent flow of atmospheric air. We have attempted to find the minimum time-step necessary to adequately simulate the icing process on an airfoil surface. Based on node displacement, a mesh morphing scheme has been adopted in the computations to account for the moving boundaries that are caused by the continuous ice buildup. We have modeled ice accretion on an airfoil surface for a time period of 232 s using several time steps. At each time-step we solved the steady-state conservation equations for the air and droplet phases and then used the results as initial conditions for the next time position. The magnitude of the time-step ranged from a least accurate two-shot simulation (where the time-step is 116 s) to a most accurate 2320-shot simulation (where the time-step is 0.1 s). In-between these two extreme time steps, we have performed a three-shot simulation (where the time-step is 77.33 s), a four-shot simulation (where the time-step is 58 s), a six-shot simulation (where the time-step is 38.67 s), a 46-shot simulation (where the time-step is 5 s), and a 232-shot simulation (where the time-step is 1 s). We have done so to find out the degree of accuracy (or inaccuracy) of the multishot simulation approach and to find out the appropriate time-step needed for a successful and valid quasi-steady simulation. A valid quasi-steady simulation needs to use a time-step that is small enough to reproduce the full time-dependent solution within a very small error band. We have found that both the 1 s and the 0.1 s time steps produce virtually identical results. This is the primary litmus test that proves the validity of the quasi-steady-state assumption. The results adopted in this paper are thus all based on the more conservative 0.1 s time-step. In the process of performing the simulations, remeshing was required in order to maintain the grid density in zones of high curvature to be able to capture the full physics in those zones. After successfully modeling glaze ice accretion over the airfoil surface using the 0.1 s quasi-steady simulation approach, the effects of supercooled large droplets (SLDs) impacting the surface have been examined and presented in terms of the variation of the local collection efficiency, the water film thickness, and the heat transfer rate. Examination of the variation of the angle that the ice horn makes with the airfoil chord line demonstrated a 20% improvement in angle prediction when the time-step is reduced from 116 s to 0.1 s. The analysis also reveals a 12% or 8.5% increase in the maximum collection efficiency, βmax, depending on whether the value of the liquid water content (LWC) has been doubled from 0.5 g/m3 to 1 g/m3, or the value of the freestream velocity has been doubled from 75 m/s to 150 m/s, respectively. Because of the need to monitor the local collection efficiency and convective heat fluxes at each shot (regardless of the number of shots employed), the approach adopted here was found to be effective in successively and successfully reproducing the curvature of the glaze ice horn.

Engineering↗
DOE OSTI2022

Brown-York charges at null boundaries

The Brown-York stress tensor provides a means for defining quasilocal gravitational charges in subregions bounded by a timelike hypersurface. We consider the generalization of this stress tensor to null hypersurfaces. Such a stress tensor can be derived from the on-shell subregion action of general relativity associated with a Dirichlet variational principle, which fixes an induced Carroll structure on the null boundary. The formula for the mixed-index tensor T i j takes a remarkably simple form that is manifestly independent of the choice of auxiliary null vector at the null surface, and we compare this expression to previous proposals for null Brown-York stress tensors. The stress tensor we obtain satisfies a covariant conservation equation with respect to any connection induced from a rigging vector at the hypersurface, as a result of the null constraint equations. For transformations that act covariantly on the boundary structures, the Brown-York charges coincide with canonical charges constructed from a version of the Wald-Zoupas procedure. For anomalous transformations, the charges differ by an intrinsic functional of the boundary geometry, which we explicity verify for a set of symmetries associated with finite null hyper-surfaces. Applications of the null Brown-York stress tensor to symmetries of asymptotically flat spacetimes and celestial holography are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Non-conservative effects on spinning black holes from world-line effective field theory

We generalize the worldline EFT formalism developed in [4–9] to calculate the non-conservative tidal effects on spinning black holes in a long wavelength approximation that is valid to all orders in the magnitude of the spin. We present results for the rate of change of mass and angular momentum in a background field and find agreement with previous calculations obtained by different techniques. We also present new results for both the non-conservative equations of motion and power loss/gain for a binary inspiral, which start at 5PN and 2.5PN order respectively and manifest the Penrose process.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

CO 2 zonal injection rate allocation and plume extent evaluation through wellbore temperature analysis

Temperature analysis during a pause in injection operations, known as warmback analysis, has been used in the petroleum industry for evaluating the injection conformance and estimating the location of the flooded front in applications, such as waterflooding oil reservoirs. Here in this work, methods are introduced to extend the application of temperature warmback analysis to estimate the zonal CO 2 injection rate and zonal CO 2 plume extent during geologic CO 2 storage in a saline aquifer. First, novel analytical solutions are developed to model transient temperature in the aquifer during the injection and subsequent shut-in periods considering two-phase flow (gaseous CO 2 and aqueous brine) conditions in the aquifer. The solution involves a discretization of the aquifer into regions; the energy and mass conservation equations for the regions are solved simultaneously considering appropriate boundary conditions at the interfaces. Two solutions techniques are presented: multi-region and three-region solutions. Inverse models are developed accordingly to evaluate the injection profile and estimate the extent of the plume front in the reservoir during the injection period. The multi-region solution results in an inversion approach that requires regression analysis. However, the three-region formulation results in a simple graphical technique for inverse modeling. The analytical solutions are validated against a thermally coupled reservoir simulation tool using different synthetic cases for CO 2 injection in deep saline aquifers. The results of the developed solutions provide a good match with numerical results during forward and inverse modeling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Pressurizer dynamic model and emulated programmable logic controllers for nuclear power plants cybersecurity investigations

This work demonstrates the functionality of the pressurizer using a fast-running three regions, non-equilibrium model and control programs of emulated PLCs. The state variables from an integrated model of primary loop in a representative PWR plant are communicated to the pressurizer’s emulated PLCs using a synchronized data transfer function. In turn, the PLCs communicate back instructions to the pressurizer model to adjust the pressure and water level to remain within preprogramed setpoints. Pressurizer model simultaneously solves the coupled mass and energy conservation equations in the saturated vapor and saturated and subcooled liquid regions using fixed step solver. Results demonstrate the response of the pressurizer model linked to an emulated pressure and water level PLCs in a simulated transient involving surge-in and surge-out events. The 50 ms response delay time for the emulated PLC insignificantly affects operation and predictions of the pressurizer model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Vidyut3d: A GPU accelerated fluid solver for non-equilibrium plasmas on adaptive grids

We present the numerical methods, programming methodology, verification, and performance assessment of a non-equilibrium plasma fluid solver that can effectively utilize current and upcoming central processing and graphics processing unit (CPU+GPU) architectures, in this work. Our plasma fluid model solves the coupled conservation equations for species transport, electrostatic Poisson and electron temperature on adaptive Cartesian grids. Our solver is written using performance portable adaptive-grid/particle management library, AMReX, and is portable over widely available vendor specific GPU architectures. We present verification of our solver using method of manufactured solutions that indicate formal second order accuracy with central diffusion and fifth-order weighted-essentially-non-oscillatory (WENO) advection scheme. We also verify our solver with published literature on capacitive discharges and atmospheric pressure streamer propagation. We demonstrate the use of our solver on two 3D simulation cases: an atmospheric streamer propagation in Ar-H2 mixtures and a low pressure three-electrode radio frequency reactor. Our performance studies on three different CPU+GPU architectures indicate ~ 150-400X speed-up using AMD and NVIDIA GPUs per time step compared to a single CPU core for a 4 million cell simulation with 15 species.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Comprehensive framework for data-driven model form discovery of the closure laws in thermal-hydraulics codes

The two-phase two-fluid model is a basis of many thermal-hydraulics codes used in design, licensing, and safety considerations of nuclear power plants. Thermal-hydraulics codes rely on the closure laws to close the system of conservation equations and describe the interactions between phases. These laws, derived from years of experimental investigations, are semi-empirical correlations that lack generality and have a limited range of applicability. Increase of computational power, availability of new experiments, and development of high-fidelity simulations has increased the number of validation data. The discrepancies between the code predictions and the validation data are a great source of knowledge. Missing physics that are not included in the model but are important for the considered phenomena can be discovered by propagating the information from the experimental results through the model. Furthermore, physics-discovered data-driven model form (P3DM) methodology integrates available integral effect tests and separate effects tests to determine the necessary corrections to the model form of the closure laws. In contrast to existing calibration techniques, the methodology modifies the functional form of the closure laws. Based on the functional form of the correction, the missing physics that were not included in the original model can be discovered. The methodology provides the alternative to the machine learning approach, in which the model is discovered in the form of the intractable black-box relation. In this work, the methodology was applied to the CTF subchannel code to improve the prediction of the two-phase flow phenomena.

42 ENGINEERING↗
DOE OSTI2020

Development and Implementation of a CTF Code Verification Suite.

CTF is a thermal hydraulic subchannel code developed to predict light water reactor (LWR) core behavior. It is a version of Coolant Boiling in Rod Arrays (COBRA) developed by Oak Ridge National Laboratory (ORNL) and North Carolina State University (NCSU) and used in the Consortium for the Advanced Simulation of LWRs (CASL). Here, the existing CTF code verification matrix is expanded, which ensures that the code is a faithful representation of the underlying mathematical model. The suite of code verification tests are mapped to the underlying conservation equations of CTF and significant gaps are addressed. As such, five new problems are incorporated: isokinetic advection, conduction, pressure drop, convection, and pipe boiling. Convergence behavior and numerical errors are quantified for each of the tests and all tests converge at the correct rate to their corresponding analytic solution. A new verification utility that generalizes the code verification process is used to incorporate these problems into the CTF automated test suite.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Recent progress on coarse graining simulations

We focus on coarse graining simulations based on the primary conservation equations, effectively codesigned physics and algorithms, and low-Mach-number corrected (LMC) hydrodynamics. Simulation methods involve LANL’s x-Radiation-Adaptive-Grid-Eulerian Large-Eddy Simulation, Besnard-Harlow-Rauenzahn (BHR) Reynolds-Averaged Navier-Stokes (RANS) approach, and Dynamic BHR – a paradigm bridging RANS and LES. A relevant question addressed relates to whether 3D RANS and RANS/LES hybrids – the industry standards for aerospace and automotive research, are presently relevant for practical variable-density applications involving shocked and accelerated interface instabilities. Furthermore, recent simulations of the GaTECH inclined mixing-layer shock-tube and NIF ICF-capsule experiments are used to demonstrate issues, challenges, and potential for 3D coarse grained LMC simulation strategies for robustly simulating complex transitional and coupled hydrodynamics-multiphysics with coarser resolution. Present LES readiness to provide accurate predictions at scale is demonstrated – whereas 3D RANS and RANS/LES bridging do not appear impactful in this context.

42 ENGINEERING↗
DOE OSTI2025

A Multiscale Approach to Simulate Non‐Isothermal Multiphase Flow in Deformable Porous Materials

Coupled thermal, hydraulic, and mechanical processes in porous materials play important roles in several energy and environmental technologies. The Darcy-Brinkman-Biot (DBB) framework has proven effective in modeling multiphase fluid flow in deformable porous solids across both pore and Darcy scales, including in systems where fractures coexist with a porous matrix. In this study, we extend the DBB framework, originally designed for isothermal conditions, to address non-isothermal problems by incorporating an energy conservation equation. The resulting solver, hybridBiotThermalInterFoam, enables simulations of coupled multiphase fluid flow, heat transfer, and solid deformation in hybrid-scale systems containing both solid-free regions and ductile porous domains. The new solver is validated through comparisons with analytical solutions and, also, against established heat transfer solvers chtMultiRegionFoam and compressibleInterFoam. Further, a series of 2D and 3D case studies, including two-phase heat transfer in solid-free, static, or deformable porous media, highlights the solver's capacity to simulate complex flow dynamics and heat transport in systems involving high mobility ratios, viscous fingering, and fracture propagation. Our results establish the feasibility of incorporating thermal effects in simulations of a wide variety of energy geotechnics and environmental applications, including enhanced hydrocarbon recovery, soil remediation, and enhanced geothermal energy systems.

04 OIL SHALES AND TAR SANDS↗