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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 19 records

A phase-field method for boiling heat transfer

Here we present a phase field method for heat transfer in two-phase flow with boiling. The vapor/liquid interface evolution is modeled by the Cahn-Hilliard equation. The phase change rate is determined by accounting for the heat conduction balance on either vapor or liquid side of the interfacial area, depending on which side the temperature is assumed to be maintained at the saturation temperature during boiling. The velocity correction scheme proposed by Dong & Shen [27] is extended to solve the Navier-Stokes equations for a non-solenoidal velocity field, and the entropy viscosity method is employed for stabilization. The phase change model is verified by two-dimensional simulations of a vapor bubble growing in super-heated liquid and in film boiling. In both cases, mesh independence of the results is systematically performed. Subsequently, the method is applied to predict the growth of three-dimensional vapor bubble in a rectangular microchannel with boiling flow, achieving good agreement with experimental measurements and available simulation results using the level-set method. The numerical experiments demonstrate that the required mesh resolution for the phase field method is comparable with that of volume of fluid (VoF) and level-set methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Viscosity Measurements at High Pressures: A Critical Appraisal of Corrections to Stokes' Law

Abstract Fluids and melts in planetary interiors significantly influence geodynamic processes from volcanism to global‐scale differentiation. The roles of these geofluids depend on their viscosities ( η ). Constraining geofluid η at relevant pressures and temperatures relies on laboratory‐based measurements and is most widely done using Stokes' Law viscometry with falling spheres. Yet small sample chambers required by high‐pressure experiments introduce significant drag on the spheres. Several correction schemes are available for Stokes' Law but there is no consensus on the best scheme(s) for high‐pressure experiments. We completed high‐pressure experiments to test the effects of (a) the relative size of the sphere diameter to the chamber diameter and (b) the top and bottom of the chamber, that is, the ends, on the sphere velocities. We examined the influence of current correction schemes on the estimated viscosity using Monte Carlo simulations. We also compared previous viscometry work on various geofluids in different experimental setups/geometries. We find the common schemes for Stokes' Law produce statistically distinct values of η . When inertia of the sphere is negligible, the most appropriate scheme may be the Faxén correction for the chamber walls. Correction for drag due to the chamber ends depends on the precision in the sinking distance and may be ineffective with decreasing sphere size. Combining the wall and end corrections may overcorrect η . We also suggest the uncertainty in η is best captured by the correction rather than propagated errors from experimental parameters. We develop an overlying view of Stokes' Law viscometry at high pressures.

Geochemistry & Geophysics↗

A fourth order sharp immersed method for the incompressible Navier-Stokes equations with stationary and moving boundaries and interfaces

We propose a fourth order Navier-Stokes solver based on the immersed interface method (IIM), for flow problems with stationary and one-way coupled moving boundaries and interfaces. Our algorithm employs a Runge-Kutta-based projection method that maintains high-order temporal accuracy in both velocity and pressure for steady and unsteady velocity boundary conditions. Fourth order spatial accuracy is achieved through a novel fifth order IIM discretization scheme for the advection term, as well as existing high-order interface-corrected finite difference schemes for the other differential operators. Using a set of manufactured flow problems with stationary and moving boundaries, we demonstrate fourth order convergence of velocity and pressure in the infinity norm, both inside the domain and on the immersed boundaries. The solver’s performance is further validated through a range of practical flow simulations, highlighting its efficiency over a second order scheme. Finally, we showcase the ability of our immersed discretization scheme to handle interface-coupled multiphysics problems by solving a conjugate heat transfer problem with multiple immersed solids. Overall, the proposed approach robustly combines the efficiency of high order discretization schemes with the flexibility of immersed discretizations for flow problems with complex, moving boundaries and interfaces.

42 ENGINEERING↗

Exact-Factorization-Based Surface Hopping without Velocity Adjustment

While surface hopping has emerged as a powerful method for simulating non-adiabatic dynamics in large molecules, the ad hoc nature of the necessary velocity adjustments and decoherence corrections in the algorithm somewhat reduces its reliability. Here we propose a new scheme that eliminates these aspects by combining the nuclear equation from the quantum-trajectory surface-hopping approach with the electronic equation derived from the exact-factorization approach. Furthermore, the resulting method, denoted QTSH-XF, yields a surface-hopping method on firmer ground than previous and is shown to successfully capture dynamics in Tully models and in a linear vibronic coupling model of the photoexcited uracil cation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Field Theory of the Fermi Function

The Fermi function F ( Z , E ) accounts for QED corrections to beta decays that are enhanced at either small electron velocity β or large nuclear charge Z . For precision applications, the Fermi function must be combined with other radiative corrections and with scale- and scheme-dependent hadronic matrix elements. We formulate the Fermi function as a field theory object and present a new factorization formula for QED radiative corrections to beta decays. We provide new results for the anomalous dimension of the corresponding effective operator complete through three loops, and resum perturbative logarithms and π enhancements with renormalization-group methods. Our results are important for tests of fundamental physics with precision beta decay and related processes. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Scaling Behavior of a Turbulent Kinetic Energy Closure Scheme for the Stably Stratified Atmosphere: A Steady-State Analysis

Abstract We present a turbulent kinetic energy (TKE) closure scheme for the stably stratified atmosphere in which the mixing lengths for momentum and heat are not parameterized in the same manner. The key difference is that, while the mixing length for heat tends toward the stability independent mixing length for momentum in neutrally stratified conditions, it tends toward one based on the Brunt–Väisälä time scale and square root of the TKE in the limit of large stability. This enables a unique steady-state solution for TKE to be obtained, which we demonstrate would otherwise be impossible if the mixing lengths were the same. Despite the model’s relative simplicity, it is shown to perform reasonably well with observational data from the 1999 Cooperative Atmosphere–Surface Exchange Study (CASES-99) using commonly employed model constants. Analyzing the scaling behavior of the nondimensional velocity and potential temperature gradients, or of the stability (correction) functions, reveals that for large stability the present model scales in the same manner as the first-order operational scheme of Viterbo et al. Alternatively, it appears as a blend of two cases of the TKE closure scheme of Baas et al. Critically, because a unique steady-state TKE can be obtained, the present model avoids the nonphysical behavior identified in one of the cases of Baas et al.

Meteorology & Atmospheric Sciences↗

How well are hazards associated with derechos reproduced in regional climate simulations?

Abstract. A 15-member ensemble of convection-permitting regional simulations of the fast-moving and destructive derecho of 29–30 June 2012 that impacted the northeastern urban corridor of the USA is presented. This event generated 1100 reports of damaging winds, generated significant wind gusts over an extensive area of up to 500 000 km2, caused several fatalities, and resulted in widespread loss of electrical power. Extreme events such as this are increasingly being used within pseudo-global-warming experiments to examine the sensitivity of historical, societally important events to global climate non-stationarity and how they may evolve as a result of changing thermodynamic and dynamic contexts. As such it is important to examine the fidelity with which such events are described in hindcast experiments. The regional simulations presented herein are performed using the Weather Research and Forecasting (WRF) model. The resulting ensemble is used to explore simulation fidelity relative to observations for wind gust magnitudes, spatial scales of convection (as is manifest in high composite reflectivity, cREF), and both rainfall and hail production as a function of model configuration (microphysics parameterization, lateral boundary conditions (LBCs), start date, use of nudging, compiler choice, damping, and number of vertical levels). We also examine the degree to which each ensemble member differs with respect to key mesoscale drivers of convective systems (e.g., convective available potential energy and vertical wind shear) and critical manifestations of deep convection, e.g., vertical velocities, cold-pool generation, and how those properties relate to the correct characterization of the associated atmospheric hazards (wind gusts and hail). Use of a double-moment, seven-class scheme with number concentrations for all species (including hail and graupel) results in the greatest fidelity of model-simulated wind gusts and convective structure to the observations of this event. All ensemble members, however, fail to capture the intensity of the event in terms of the spatial extent of convection and the production of high near-surface wind gusts. We further show very high sensitivity to the LBCs employed and specifically that simulation fidelity is higher for simulations nested within ERA-Interim compared to ERA5. Excess convective available potential energy (CAPE) in all ensemble members after the derecho passage leads to excess production of convective cells, wind gusts, cREF > 40 dBZ, and precipitation during a frontal passage on the subsequent day. This event proved very challenging to forecast in real time and to reproduce in the 15-member hindcast simulation ensemble presented here. Future work could examine if simulations with other initial and lateral boundary conditions can achieve greater fidelity.

Shepherd, Tristan (ORCID:0000000186276419)↗

A moment-conserving discontinuous Galerkin representation of the relativistic Maxwellian distribution

Kinetic simulations of relativistic gases and plasmas are critical for understanding diverse astrophysical and terrestrial systems, but the accurate construction of the relativistic Maxwellian, the Maxwell–Jüttner distribution, on a discrete simulation grid is challenging. Difficulties arise from the finite velocity bounds of the domain, which may not capture the entire distribution function, as well as errors introduced by projecting the function onto a discrete grid. Here, we present a novel scheme for iteratively correcting the moments of the projected distribution applicable to all grid-based discretizations of the relativistic kinetic equation. In addition, we describe how to compute the needed nonlinear quantities, such as Lorentz boost factors, in a discontinuous Galerkin scheme through a combination of numerical quadrature and weak operations. The resulting method accurately captures the distribution function and ensures that the moments match the desired values to machine precision.

astrophysical plasmas↗

High-order multirate explicit time-stepping schemes for the baroclinic-barotropic split dynamics in primitive equations

In order to treat the multiple time scales of ocean dynamics in an efficient manner, the baroclinic-barotropic splitting technique has been widely used for solving the primitive equations for ocean modeling. Based on the framework of strong stability-preserving Runge-Kutta approach, we propose two high-order multirate explicit time-stepping schemes (SSPRK2-SE and SSPRK3-SE) for the resulting split system in this paper. The proposed schemes allow for a large time step to be used for the three-dimensional baroclinic (slow) mode and a small time step for the two-dimensional barotropic (fast) mode, in which each of the two mode solves just need to satisfy their respective CFL conditions for numerical stability. Specifically, at each time step, the baroclinic velocity is first computed by advancing the baroclinic mode and fluid thickness of the system with the large time-step and the assistance of some intermediate approximations of the barotropicmode obtained by substepping with the small time step; then the barotropic velocity is corrected by using the small time step to re-advance the barotropic mode un-der an improved barotropic forcing produced by interpolation of the forcing terms from the preceding baroclinic mode solves; lastly, the fluid thickness is updated by coupling the baroclinic and barotropic velocities. Additionally, numerical inconsistencies on the discretized sea surface height caused by the mode splitting are relieved via a reconciliation process with carefully calculated flux deficits. Here, two benchmark tests from the “MPAS-Ocean” platform are carried out to numerically demonstrate the performance and parallel scalability of the proposed SSPRK-SE schemes.

54 ENVIRONMENTAL SCIENCES↗

Precision spectroscopy of fast, hot, exotic isotopes using machine-learning-assisted event-by-event Doppler correction

We propose an experimental scheme for performing sensitive, high-precision laser spectroscopy studies on fast exotic isotopes. By inducing a stepwise resonant ionization of the atoms traveling inside an electric field and subsequently detecting the ion and the corresponding electron, time-, and position-sensitive measurements of the resulting particles can be performed. Using a mixture density network, we can leverage this information to predict the initial energy of individual atoms and thus apply a Doppler correction of the observed transition frequencies on an event-by-event basis. We conduct numerical simulations of the proposed experimental scheme and show that kHz-level uncertainties can be achieved for ion beams produced at extreme temperatures ( > 10 8 K), with energy spreads as large as 10 keV and nonuniform velocity distributions. The ability to perform in-flight spectroscopy, directly on highly energetic beams, offers unique opportunities to study short-lived isotopes with lifetimes in the millisecond range and below, produced in low quantities, in hot and highly contaminated environments, without the need for cooling techniques. Such species are of marked interest for nuclear structure, astrophysics, and new physics searches. Published by the American Physical Society 2024

Udrescu, S. M. (ORCID:000000021989576X)↗

FY23 Progress Report on Viscosity and Thermal Conductivity Measurements of Molten Salts

As presented in this report, thermal conductivity and viscosity measurements were performed on key chloride pseudo-binary molten salt systems of relevance to molten salt reactor developers. Thermal conductivity measurements were conducted with a variable gap technique, in which a known heat flux is driven across a molten salt specimen and the temperature difference is measured, allowing calculation of the thermal conductivity. This is achieved by establishing a small gap between the bottom of a cylindrical inner containment, which houses electrical heating elements, and an outer containment, which houses cooling channels; the gap size can be varied by compression of a formed bellows. A new calibration scheme was developed herein, involving a correction factor to the heat flux based on He measurements at various temperatures. Furthermore, the data processing methodology was improved to minimize the impact of radiative heat transfer in the calculation of salt specimen thermal conductivity from the temperature difference measurements. Viscosity measurements were conducted with a rolling ball viscometer, in which a ball rolls some known distance in an angled tubular crucible, and the terminal velocity can be used to calculate the viscosity of the salt. The measurement can be performed in a quartz crucible, with which a standard camera can be used to track the ball, or in a metal crucible, with which x-ray radiography is required to track the ball. A new custom x-ray system was made and dedicated to the rolling ball viscometer to enable high throughput automated measurements with salts which require containment with metal. Both systems have been integrated with a ventilation stack which allows for off-gassing of radioactive material, enabling future measurements with U-bearing salts. The thermal conductivity measurements performed herein were with NaCl-KCl (44 mol% NaCl). This salt system was measured in the previous fiscal year, however the thermal conductivity values obtained were comparatively low, and so the system was remeasured with the aforementioned calibration scheme and improved post-processing techniques. The newly obtained thermal conductivity values for NaCl-KCl (44 mol% NaCl) indicate good agreement with kinetic theory and ab-initio models (within 5–10 %). The viscosity measurements performed herein were with three different compositions of NaCl-KCl: 75, 50, and 25 mol% NaCl; a new calibration scheme was applied to account for variable flow effects in the laminar regime. The results show reasonable agreement with literature (5–20 %, depending on the temperature, composition, and study); however, literature values are likely higher than true values based on pure end-member measurements performed in the comparative studies. The measurements conducted herein do show a trend such that viscosity increases with increasing NaCl concentration, which agrees well with one of two comparative studies. In general, the measurements conducted herein gives confidence in the capability to use these systems to accurately measure thermal conductivity and viscosity of actinide-bearing salts within the next fiscal year.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Semi-implicit method to solve compressible multiphase fluid flows without acoustic time step restrictions

A new 3D multiphase numerical capability is presented here for simulating multiphase flow regimes at all Mach numbers (M). The new method is a semi-implicit extension of the finite volume discrete equation method (DEM) of Chinnaya et al. (2004), which originally used explicit time-stepping. The capability is also developed to work with another extension of the DEM to moving grids for arbitrary Lagrangian-Eularian (ALE) methods detailed in Dunn (2011). Rather than solving all phase equations simultaneously, the DEM reduces the equations to a system of single-phase Riemann solves, where each phase has its own velocity and thermodynamic state. Exchanges between the phases are modeled through source terms accounting for the phase interactions. Furthermore, since the original multiphase scheme uses an explicit time-advancement scheme, it has time step restrictions dictated by the speed of sound, which limits the model's ability to simulate weakly compressible flows which typically need to be integrated for longer time periods. Here, we extend the current multiphase formulation by implementing a pressure-correcting step to enable implicit calculations and remove acoustic time step limitations. The new semi-implicit algorithm allows use of relatively large time steps compared to an explicit method. Validation and benefits of the new implicit time-step method are illustrated using several examples including weakly compressible flows and strong shock waves. The scheme presented here is general and may be used for a variety of applications which require capabilities for handling multiphase flow at a wide range of Mach numbers. However, the goal of this research is to simulate all stages of high energy explosions, including the shock formation (high Mach numbers) and evolution of the buoyant cloud (low Mach numbers).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Renormalization scale setting for heavy quark pair production in $e^+e^–$ annihilation near the threshold region

Heavy fermion pair production in e + e – annihilation is a fundamental process in hadron physics and is of considerable interest for various phenomena. In this paper, we will apply the principle of maximum conformality (PMC) to provide a comprehensive analysis of these processes. The PMC provides a systematic, unambiguous method for determining the renormalization scales of the QCD coupling constant for single-scale and multiple-scale applications. The resulting predictions eliminate any renormalization scheme-and-scale ambiguities, eliminate the factorial renormalon divergences, and are consistent with the requirements of the renormalization group. It is remarkable that two distinctly different scales are determined by using the PMC for heavy fermion pair production near the threshold region. One scale is the order of the fermion mass m f , which enters the hard virtual corrections, and the other scale is of order v m f , where v is the quark velocity, which enters the Coulomb rescattering amplitude. The PMC scales yield the correct physical behavior and reflect the virtuality of the propagating gluons (photons) for the QCD (QED) processes. Moreover, we demonstrate the consistency of PMC scale setting from QCD to QED. Perfect agreement between the Abelian unambiguous Gell-Mann-Low and the PMC scale-setting methods in the limit of zero number of colors is demonstrated.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

FSISPH: An SPH formulation for impacts between dissimilar materials

Here, we present an SPH formulation with several new features designed to better model the fully-compressible interaction of dissimilar materials. We developed the new method to simulate the atmospheric entry and break-up of small celestial bodies in planetary atmospheres. The formulation uses a unity-based, density-energy discretization of the hydrodynamic conservation laws with linear-corrected kernel gradients. To account for variations in compressibility, we use an HLLC approximate Riemann solver to adjust the velocity gradient at material interfaces. To handle large transverse velocity discontinuities, we introduce a simple slip interface model that limits the artificial viscosity at material interfaces. Diffusion is optionally applied through the velocity gradient and this allows the density and specific thermal energy to evolve in a manner more consistent with the first law of thermodynamics in comparison to other more direct diffusion schemes. We also introduce a material-local second-order artificial conduction scheme used to smooth the specific thermal energy field. Material damage fits neatly under this framework by treating the damage front as a material interface. The method has been implemented as a solver, FSISPH, within the code, Spheral++, and is publicly available on github. We test our new solver on a number of classic shock, mixing, and multi-material problem. The components we outline can significantly improve accuracy of SPH for problems with sharp contact discontinuities.

79 ASTRONOMY AND ASTROPHYSICS↗

Improving Solution Accuracy and Convergence for Stochastic Physics Parameterizations with Colored Noise

Stochastic parameterizations are used in numerical weather prediction and climate modeling to help capture the uncertainty in the simulations and improve their statistical properties. Convergence issues can arise when time integration methods originally developed for deterministic differential equations are applied naively to stochastic problems. In previous studies, it has been demonstrated that a correction term, known in stochastic analysis as the Itô correction, can help improve solution accuracy for various deterministic numerical schemes and ensure convergence to the physically relevant solution without substantial computational overhead. The usual formulation of the Itô correction is valid only when the stochasticity is represented by white noise. In this study, a generalized formulation of the Itô correction is derived for noises of any color. The formulation is applied to a test problem described by an advection–diffusion equation forced with a spectrum of fast processes. We present numerical results for cases with both constant and spatially varying advection velocities to show that, for the same time step sizes, the introduction of the generalized Itô correction helps to substantially reduce time integration error and significantly improve the convergence rate of the numerical solutions when the forcing term in the governing equation is rough (fast varying); alternatively, for the same target accuracy, the generalized Itô correction allows for the use of significantly longer time steps and, hence, helps to reduce the computational cost of the numerical simulation.

54 ENVIRONMENTAL SCIENCES↗

Intercomparison of MJO Column Moist Static Energy and Water Vapor Budget among Six Modern Reanalysis Products

This study conducts an intercomparison of the column-integrated moist static energy (MSE) and water vapor budget of the Madden–Julian oscillation (MJO) among six modern global reanalysis products (RAs). Inter-RA differences in the mean MSE, MJO MSE anomalies, individual MSE budget terms, and their relative contributions to the propagation and maintenance of MJO MSE anomalies are examined. Also investigated is the relationship between the MJO column water vapor (CWV) budget residuals with the other CWV budget terms as well as with the two parameters that characterize cloud–radiation feedback and moisture–convection coupling. Results show a noticeable inter-RA spread in the mean-state MSE, especially its vertical structure. In all RAs, horizontal MSE advection dominates the propagation of the MJO MSE while column-integrated longwave radiative heating and vertical MSE advection are found to be the key processes for MJO maintenance. The MSE budget terms directly affected by the model parameterization schemes exhibit high uncertainty. The differences in anomalous vertical velocity mainly contribute to the large differences in vertical MSE advection among the RAs. The budget residuals show large inter-RA differences and have nonnegligible contributions to MJO maintenance and propagation in most RAs. RAs that underestimate (overestimate) the strength of cloud–radiation feedback and the convective moisture adjustment time scale tend to have positive (negative) MJO CWV budget residual, indicating the critical role of these processes in the maintenance of MJO CWV anomalies. Our results emphasize that a correct representation of the interactions among moisture, convection, cloud, and radiation is the key for an accurate depiction of the MJO MSE and CWV budget in RAs.

54 ENVIRONMENTAL SCIENCES↗

Settling of two-way momentum and energy coupled particles subject to Boussinesq and non-Boussinesq heating

This work establishes a procedure to accurately compute heat transfer between an Eulerian fluid and Lagrangian point-particles. Recent work has focused on accurately computing momentum transfer between fluid and particles. The coupling term for momentum involves the undisturbed fluid velocity at the particle location which is not directly accessible in the simulation. Analogously, in the context of thermal coupling, the undisturbed fluid temperature at the particle location is not directly accessible in simulations and must be estimated. In this paper, we develop a scheme to accurately estimate the undisturbed fluid temperature of a point-particle exchanging thermal energy with a surrounding fluid. Furthermore, the temperature disturbance is correlated with the enhanced temperature curvature in the vicinity of the particle and is formally valid in the low heating, low convection limit. We conduct extensive verification of the correction procedure for a settling particle subject to radiation. This setup allows the simultaneous testing of thermal and momentum corrections. By considering equations of drag and Nusselt number extended to finite Péclet and Boussinesq numbers, we establish a large range over which the correction procedure can be applied.

42 ENGINEERING↗

DG-IMEX method for a two-moment model for radiation transport in the $\mathscr{O}$($v$/$c$) limit

Here, we consider neutral particle systems described by moments of a phase-space density and propose a realizability-preserving numerical method to evolve a spectral two-moment model for particles interacting with a background fluid moving with nonrelativistic velocities. The system of nonlinear moment equations, with special relativistic corrections to $\mathscr{O}$($v$/$c$), expresses a balance between phase-space advection and collisions and includes velocity-dependent terms that account for spatial advection, Doppler shift, and angular aberration. The model is conservative for the correct $\mathscr{O}$($v$/$c$) Eulerian-frame number density and is consistent, to $\mathscr{O}$($v$/$c$), with Eulerian-frame energy and momentum conservation. This model is closely related to the one promoted by Lowrie et al. and similar to models currently used to study transport phenomena in large-scale simulations of astrophysical environments. The proposed numerical method is designed to preserve moment realizability, which guarantees that the moments correspond to a nonnegative phase-space density. The realizability-preserving scheme consists of the following key components: (i) a strong stability-preserving implicit-explicit (IMEX) time-integration method; (ii) a discontinuous Galerkin (DG) phase-space discretization with carefully constructed numerical uxes; (iii) a realizability-preserving implicit collision update; and(iv) a realizability-enforcing limiter. In time integration, nonlinearity of the moment model necessitates solution of nonlinear equations, which we formulate as fixed-point problems and solve with tailored iterative solvers that preserve moment realizability with guaranteed global convergence. We also analyze the simultaneous Eulerian-frame number and energy conservation properties of the semi-discrete DG scheme and propose a "spectral redistribution" scheme that promotes Eulerian-frame energy conservation. Through numerical experiments, we demonstrate the accuracy and robustness of this DG-IMEX method and investigate its Eulerian-frame energy conservation properties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗