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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

Lattice Boltzmann Equation On a 2D Rectangular Grid

We construct a multi-relaxation lattice Boltzmann model on a two-dimensional rectangular grid. The model is partly inspired by a previous work of Koelman to construct a lattice BGK model on a two-dimensional rectangular grid. The linearized dispersion equation is analyzed to obtain the constraints on the isotropy of the transport coefficients and Galilean invariance for various wave propagations in the model. The linear stability of the model is also studied. The model is numerically tested for three cases: (a) a vortex moving with a constant velocity on a mesh periodic boundary conditions; (b) Poiseuille flow with an arbitras~y inclined angle with respect to the lattice orientation: and (c) a cylinder &symmetrically placed in a channel. The numerical results of these tests are compared with either analytic solutions or the results obtained by other methods. Satisfactory results are obtained for the numerical simulations.

Bouzidi, MHamed↗

The absorption of trapped particles by the inner satellites of Jupiter and the radial diffusion coefficient of particle transport

The process of trapped particle absorption by the inner Jovian satellites is considered in detail taking into account both the particle and satellite motions in a magnetic dipole field which is displaced from the center of the planet and tilted with respect to the planetary rotation axis. An expression is derived for computing the sweeping time at a given satellite, defined as the time required for the satellite to sweep up a given fraction of the trapped particles within its sweeping region. By making use of the sweeping time and the radial diffusion equation of particle transport approximate expressions for the diffusion coefficient are derived. Measurements obtained by Pioneer 10 are then used to obtain estimates of the diffusion coefficient at the orbits of Io and Europa. We find that the diffusion coefficient is a function of energy and magnetic latitude for electrons in the energy range 0.7-14 MeV.

Mogro-Campero, A.↗

Simultaneous reproduction of experimental profiles, fluxes, transport coefficients, and turbulence characteristics via nonlinear gyrokinetic profile predictions in a DIII-D ITER similar shape plasma

Experimental conditions obtained on the DIII-D tokamak in the ITER Similar Shape (ISS) have been compared extensively with nonlinear gyrokinetic simulation using the CGYRO code [Candy et al., J. Comput. Phys. 324, 73–93 (2016)] with comparisons spanning ion and electron heat fluxes, electron and impurity particle transport, and turbulent fluctuation levels and characteristics. Bayesian optimization techniques [Rodriguez-Fernandez et al., Nucl. Fusion 62(7), 076036 (2022)], combined with nonlinear gyrokinetics, have been used to obtain simultaneously Qi, Qe, and Γe flux-matched profiles that are found to be in good agreement with experimental profile measurements. Synthetic diagnostics were used to compare measured beam emission spectroscopy and correlation electron cyclotron emission turbulent fluctuations with nonlinear simulation. Although some disagreements exist, nonlinear simulations are found to be in generally good agreement with measured fluctuation levels, spectral shapes, and measured radial trends in low-k δne/ne and δTe/Te. Low (Li and C) and mid-Z (Ca) impurity transport was also compared with these flux-matched simulations. Fully stripped, low-Z impurities are well reproduced by the gyrokinetic modeling while clear disagreement exists in comparisons with mid-Z impurities. Nonlinear gyrokinetic investigation into the Z dependence of impurity transport in the ISS conditions is also performed, demonstrating clear trends of impurity diffusion with impurity Z (both D∝Z and D∝1/Z) that vary with the radial location studied. These trends are shown to result from the local dominance of ion temperature gradient or ∇n driven trapped electron mode turbulence and may contribute to the disagreement between simulation and experiment in mid-Z impurity transport. The results of this work represent one of the most complete validation studies of the gyrokinetic model performed to date and provide an example of new capabilities for predicting performance in future fusion devices.

Physics↗

A Study of Ferrocene Diffusion in Toluene/Tween 20/1-Butanol/Water Microemulsions for Redox Flow Battery Applications

Redox flow batteries (RFBs) possess multiple advantages as a flexible energy storage solution. However, RFB researchers are still facing many challenges in finding an appropriate electrolyte. Microemulsions have recently been proposed as a promising alternative RFB electrolyte because of their ability to accommodate organic redox species with fast electron transfer rates that are not soluble in aqueous phase, while still offering the high conductivity of an aqueous salt electrolyte. In this work, we focused on understanding the transport of ferrocene (Fc) in a toluene/Tween 20/1-butanol/water model microemulsion and studied the compositional influence on Fc diffusion. The results show that Fc redistributes among the oil, surfactant, and water microenvironments, and the corresponding diffusion and partition coefficients are quantified. Thus, a tortuous path diffusion model is proposed to describe the mass transport of Fc to an electrode surface. Diffusion coefficients are also obtained by pulsed-field gradient nuclear magnetic resonance (PFG NMR), while the values for Fc diffusion are substantially higher than those from electrochemical measurements, suggesting that they measure samples in different ways. The current contributions from each microenvironment indicate that the Fc permeability is much higher in the oil, even though the electron transfer reaction is likely occurring in the surfactant.

25 ENERGY STORAGE↗

Current-driven plasma acceleration versus current-driven energy dissipation. III - Anomalous transport

In the present paper the linear stability description and weak turbulence theory are used to develop a second order description of wave-particle transport and anomalous dissipation. The goal is to arrive at anomalous transport coefficients that can be readily included in fluid flow codes. In particular, expressions are derived for the heating rates of ions and electrons by the unstable waves and for the electron-wave momentum exchange rate that controls the anomalous resistivity effect. Comparative calculations were undertaken assuming four different saturation models: ion trapping, electron trapping, ion resonance broadening, and thermodynamic bound. A foremost finding is the importance of the role of electron Hall parameter in scaling the level of anomalous dissipation for the parameter range of the MPD thruster plasma. Polynomial expressions of the relevant transport coefficients cast solely in terms of macroscopic parameters are also obtained for inclusion in plasma fluid codes for the self-consistent numerical simulation of real thruster flows including microturbulent effects.

Choueiri, Edgar Y.↗

Heat Transfer Characteristics of Particle Flow Through Additively Manufactured (SS 316L) Lattice Frame Material Based on Octet-Shape Topology

Abstract This paper presents experimentally obtained heat transfer characteristics of additively manufactured lattice frame material based on Octet-shaped unit cell. Binder jetting technology was used to print lattices in Stainless Steel 316L material. Lattice porosities ranging from 0.75 to 0.9 were investigated where thermal transport characteristics were obtained for void space occupied by air and particles. Particle diameters were varied from 266–966 microns. Effective thermal conductivity and averaged heat transfer coefficient was calculated through steady-state experiments. It was found that presence of lattice enhances the effective thermal conductivity by 2–4 times when compared to packed bed of particles alone. Furthermore, for gravity-assisted particle flow through lattice panel, significantly high convective heat transfer coefficients ranging from 200–400 W/m2K were obtained for the range of particle diameters tested. The superior thermal transport properties of Octet-shape based lattice frame material for particle flow through them makes it a very promising candidate for particle-to-supercritical carbon dioxide (sCO2) heat exchanger in concentrating solar power (CSP) application.

Aider, Youssef↗

Bayesian calibration of a hybrid nuclear collision model using $\textit{p}$₋Pb and Pb-Pb data at energies available at the CERN Large Hadron Collider

Here, we posit a unified hydrodynamic and microscopic description of the quark-gluon plasma (QGP) produced in ultrarelativistic p₋Pb and Pb-Pb collisions at $\sqrt{s}_\text{NN}$ = 5.02 TeV and evaluate our assertion using Bayesian inference. Specifically, we model the dynamics of both collision systems using initial conditions with parametric nucleon substructure, a preequilibrium free streaming stage, event-by-event viscous hydrodynamics, and a microscopic hadronic afterburner. Free parameters of the model, which describe the initial state and QGP medium are then simultaneously calibrated to fit charged-particle yields, mean $p_T$, and flow cumulants. We argue that the global agreement of the calibrated model with the experimental data strongly supports the existence of hydrodynamic flow in small collision systems at ultrarelativistic energies, and that the flow produced develops at length scales smaller than a single proton. Posterior estimates for the model's input parameters are obtained, and new insights into the temperature dependence of the QGP transport coefficients and event-by-event structure of the proton are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Transport of colloidal particles in microscopic porous medium analogs with surface charge heterogeneity: experiments and fundamental role of single-bead deposition

Understanding colloid transport in subsurface environments is challenging due to complex interactions between colloids, ground water, and porous media over several length scales. Here, we study the transport of colloidal particles through bead-assembled microfluidic porous media analogs (PMAs) with surface charge heterogeneity. The pore-scale dynamics of colloidal particle deposition were measured, as well as the breakthrough curves (BTC) and retention profiles (RP) of deposited colloidal particles at the scale of the entire PMA. From pore-scale experiments, the maximum surface coverage (?max = 0.51) was measured directly, from which the surface blocking function and deposition coefficient (kpore = 3.56 s-1) were obtained. Using these pore-scale parameters, the transport of colloidal particles was modeled using a one-dimensional advection-dispersion equation under the assumption of irreversible adsorption between oppositely charged beads and colloids, showing good agreement with experimental data. This work presents a new approach to fabricate chemically heterogeneous porous media in a microfluidic device that enables direct measurements of pore-scale colloidal deposition. The approach allows a quantitative prediction of colloidal breakthrough and retention via coupling of direct measurements and an advection-dispersion-deposition model.

Guo, Yang↗

Transport Coefficients for the NASA Lewis Chemical Equilibrium Program

The new transport property data that will be used in the NASA Lewis Research Center's Chemical Equilibrium and Applications Program (CEA) is presented. It complements a previous publication that documented the thermodynamic and transport property data then in use. Sources of the data and a brief description of the method by which the data were obtained are given. Coefficients to calculate the viscosity, thermal conductivity, and binary interactions are given for either one, or usually, two temperature intervals, typically 300 to 1000 K and 1000 to 5000 K. The form of the transport equation is the same as used previously. The number of species was reduced from the previous database. Many species for which the data were estimated were eliminated from the database. Some ionneutral interactions were added.

Svehla, Roger A.↗

Molecular dynamics simulation of hydrodynamic transport coefficients in plasmas

Molecular dynamics simulations are used to calculate transport coefficients in a two-component plasma interacting through a repulsive Coulomb potential. The thermal conductivity, electrical conductivity, electrothermal coefficient, thermoelectric coefficient, and shear viscosity are computed using the Green–Kubo formalism over a broad range of Coulomb coupling strength, 0.01 ≤ Γ ≤ 140. Emphasis is placed on testing standard results of the Chapman–Enskog solution in the weakly coupled regime (Γ ≪ 1) using these first-principles simulations. As expected, the results show good agreement for Γ ≲ 0.1. However, this agreement is only possible if careful attention is paid to the definitions of linear constitutive relations in each of the theoretical models, a point that is often overlooked. For example, the standard Green–Kubo expression for thermal conductivity is a linear combination of thermal conductivity, electrothermal, and thermoelectric coefficients computed in the Chapman–Enskog formalism. Meaningful results for electrical conductivity are obtained over the full range of coupling strengths explored, but it is shown that potential and virial components of the other transport coefficients diverge in the strongly coupled regime (Γ ≫ 1). In this regime, only the kinetic components of the transport coefficients are meaningful for a classical plasma.

Electrical conductivity↗

Third-moment closure of turbulence for predictions of separating and reattaching shear flows: A study of Reynolds-stress closure model

A numerical study of computations in backward-facing steps with flow separation and reattachment, using the Reynolds stress closure is presented. The highlight of this study is the improvement of the Reynold-stress model (RSM) by modifying the diffusive transport of the Reynolds stresses through the formulation, solution and subsequent incorporation of the transport equations of the third moments, bar-u(i)u(j)u(k), into the turbulence model. The diffusive transport of the Reynolds stresses, represented by the gradients of the third moments, attains greater significance in recirculating flows. The third moments evaluated by the development and solution of the complete transport equations are superior to those obtained by existing algebraic correlations. A low-Reynolds number model for the transport equations of the third moments is developed and considerable improvement in the near-wall profiles of the third moments is observed. The values of the empirical constants utilized in the development of the model are recommended. The Reynolds-stress closure is consolidated by incorporating the equations of k and e, containing the modified diffusion coefficients, and the transport equations of the third moments into the Reynolds stress equations. Computational results obtained by the original k-e model, the original RSM and the consolidated and modified RSM are compared with experimental data. Overall improvement in the predictions is seen by consolidation of the RMS and a marked improvement in the profiles of bar-u(i)u(j)u(k) is obtained around the reattachment region.

Amano, R. S.↗

Chemistry and transport in a three-dimensional stratospheric model - Chlorine species during a simulated stratospheric warming

The distributions in the stratosphere of a variety of chemical species were calculated for a 6-day period during the February 1979 stratospheric major warming, using winds derived from a spectral forecast model which included O(x), NO(x), HO(x), and ClO(x) chemistries as well as longitudinally varying reaction rate coefficients and photolysis rates for these molecules. The results obtained indicate a particular importance of chemistry and transport for the Cl-containing species ClO, ClONO2, HCl, and HOCl. Dynamical effects dominate the variability of HCl, while diurnal effects dominate that of ClONO2 and ClO. The effects of strong planetary wave activity may be seen in terms of large longitudinal variability of the total HCl and ClONO columns in the stratosphere; in the middle and high northern latitudes, it is sufficiently large to exceed the diurnal variability of the column.

Kaye, Jack A.↗

Generalized hydrodynamic transport in lattice-gas automata

The generalized hydrodynamics of two-dimensional lattice-gas automata is solved analytically in the linearized Boltzmann approximation. The dependence of the transport coefficients (kinematic viscosity, bulk viscosity, and sound speed) upon wave number k is obtained analytically. Anisotropy of these coefficients due to the lattice symmetry is studied for the entire range of wave number, k. Boundary effects due to a finite mean free path (Knudsen layer) are analyzed, and accurate comparisons are made with lattice-gas simulations.

Luo, Li-Shi↗

Heat Transfer Characteristics of Particle and Air Flow Through Additively Manufactured Lattice Frame Material Based on Octet-Shape Topology

Particle-to-supercritical carbon dioxide (sCO 2 ) heat exchanger is a critical component in next-generation concentrating solar power (CSP) plants. The inherently low heat transfer between falling particles and sCO 2 imposes a challenge toward economic justification of levelized cost of electricity produced through solar energy. Introduction of integrated porous media with the walls bounding particle flow has the potential to enhance the overall particle-to-sCO 2 heat exchanger performance. Here, this paper presents an experimental study on heat transfer characterization of additively manufactured lattice frame material based on Octet-shaped unit cell with particles and air as working fluids. The lattice structures were additively manufactured in stainless steel (SS) 316L and SS420 (with 40% bronze infiltration) via Binder jetting process, where the lattice porosities were varied between 0.75 and 0.9. The mean particle diameters were varied from 266 μm to 966 μm. The effective thermal conductivity and averaged heat transfer coefficient were determined through steady-state experiments. It was found that the presence of lattice enhances the effective thermal conductivity by 2–4 times when compared to packed bed of particles alone. Furthermore, for gravity-assisted particle flow through lattice panel, significantly high convective heat transfer coefficients ranging from 200 W/m2K to 400 W/m2K were obtained for the range of particle diameters tested. The superior thermal transport properties of Octet-shape-based lattice frame for particle flow makes it a very promising candidate for particle-to-sCO 2 heat exchanger for CSP application.

14 SOLAR ENERGY↗

The telegraph equation in charged particle transport

We present a new derivation of the telegraph equation which modifies its coefficients. First, an infinite order partial differential equation is obtained for the velocity space solid angle-averaged phase-space distribution of particles which underwent at least a few collisions. It is shown that, in the lowest order asymptotic expansion, this equation simplifies to the well-known diffusion equation. The second-order asymptotic expansion for isotropic small-angle scattering results in a modified telegraph equation with a signal propagation speed of v(5/11) exp 1/2 instead of the usual v/3 exp 1/2. Our derivation of a modified telegraph equation follows from an expansion of the Boltzmann equation in the relevant smallness parameters and not from a truncation of an eigenfunction expansion. This equation is consistent with causality. It is shown that, under steady state conditions in a convecting plasma, the telegraph equation may be regarded as a diffusion equation with a modified transport coefficient, which describes a combination of diffusion and cosmic-ray inertia.

Gombosi, T. I.↗

Field-Driven Simulations to Probe the Impact of Ionic Correlations on Solution Transport Coefficients in Binary, Ternary, and Reciprocal Quaternary Aqueous Electrolytes

Ionic correlations play a critical role in governing transport properties of mixed-salt aqueous electrolyte solutions, yet their quantitative characterization remains challenging, particularly for multicomponent aqueous systems. Here, we develop a general nonequilibrium molecular dynamics framework to efficiently compute Onsager transport coefficients and ionic correlations in mixed-salt aqueous solutions. Using field-driven simulations, we obtain accurate Onsager matrices for LiCl/ KCl, KCl/KBr, and LiBr/KCl electrolyte solutions with significantly reduced computational cost relative to equilibrium Green−Kubo methods. The framework enables direct assessment of how attractive cation−anion and repulsive like-ion interactions contribute to conductivity and salt diffusivity across compositions. While static ion pairing exhibits strong composition dependence, dynamic ion correlations remain nearly invariant, leading to constant deviations from Nernst−Einstein predictions. These results highlight the disconnect between static ion association and dynamic transport correlations, and they establish a transferable approach for analyzing ion transport in complex electrolyte environments relevant to separation processes and electrochemical systems.

36 MATERIALS SCIENCE↗

Transport properties of liquid metal hydrogen under high pressures

A theory is developed for the compressibility and transport properties of liquid metallic hydrogen, near to its melting point and under high pressure. The interionic force law is assumed to be of the screened Coulomb type, because hydrogen has no core electrons. The random phase approximation is used to obtain the structure factor S(k) of the system in terms of the Fourier transform of this force law. The long wavelenth limit of the structure factor S(o) is related to the compressibility, which is much lower than that of alkali metals at their melting points. The diffusion constant at the melting point is obtained in terms of the Debye frequency, using a frequency spectrum analogous with the phonon spectrum of a solid. A similar argument is used to obtain the combined shear and bulk viscosities, but these depend also on S(o). The transport coefficients are found to be about the same size as those of alkali metals at their melting points.

Brown, R. C.↗