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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
NASA NTRS1995

Contact and pressure balance structures in two-fluid cosmic-ray hydrodynamics

The role of cosmic-ray-modified contact discontinuities and pressure balance structures in two-fluid cosmic-ray hydrodynamics in one Cartesian space dimension are investigated by means of analytic and numerical solution examples, as well as by weakly nonlinear asymptotics. The fundamental wave modes of the two-fluid cosmic-ray hydrodynamic equations in the long-wavelength limit consist of the backward and forward propagating cosmic-ray-modified sound waves, with sound speed dependent on both the cosmic-ray and thermal gas pressures; the contact discontinuity; and a pressure balance mode in which the sum ofthe cosmic ray and thermal gas pressure perturbations is zero. The pressure balance mode, like the contact discontinuity is advected with the background flow. The interaction of the pressure balance mode with the contact discontinuity is investigated by means of the method of multiple scales. The thermal gas and cosmic-ray pressure perturbations satisfy a linear diffusion equation, and entropy perturbations arising from nonisentropic initial conditions for the thermal gas are frozen into the fluid. The contact discontinuity and pressure balance eigenmodes both admit nonzero perturbations in the thermal gas, whereas the cosmic-ray-modified sound waves are isentropic. The total entropy perturbation is shared between the contact discontinuity and pressure balance eigenmodes, and examples are given in which there is a transfer of entropy between the two modes. In particular, N-wave type density disturbances are obtained which arise as a result of the entropy transfer between the two modes. A weakly nonlinear geometric optics perturbation expansion is used to study the long timescale evolution of the short-wavelength entropy wave and the thermal gas sound waves in a slowly varying, large-scale background flow. The weakly nonlinear geometric optics expansion is also used to generalize previous studies of squeezing instability for short-wavelength sound waves in the two fluid model, by including a weakly nonlinear wave steepening term that leads to shock formation, as well as the effect of long time and space dependence of the background flow. Implications of cosmic-ray-modified pressure balance structures and contact discontinuities in models of the interaction of traveling interplanetary shocks and compression and rarefraction waves with the solar wind termination shock are briefly discussed.

Webb, G. M.↗
DOE OSTI2026

Edge dislocation mediated anomalous charge transfer in face centered cubic high entropy alloys

The charge transfer in alloys dictates their structural and functional properties. The presence of the line defect can influence the charge transfer characteristics in alloys. The edge dislocation-volume misfit interaction in high entropy alloys is a critical area of interest concerning the development of accurate solid solution strengthening models for these materials. The evolution of the volume misfit of atoms is either studied empirically using Vegard's law or mechanistically using \emph{ab initio} calculations, without considering the effect of edge dislocation on charge transfer explicitly. In this work, we show the influence of edge dislocation on the charge transfer in CoCrFeMnNi, CoCrNi and CoNi using large-scale \emph{ab initio} calculations. The anomalous charge transfer characteristics, in terms of deviations from electronegativity trends, are demonstrated, which are dictated by electronegativity equalisation rather than pair-atom interactions. The deviation of atomic volume in the compressive and tensile stress regions of the edge dislocation is rationalised in terms of anomalous magneto-volume fluctuations in such alloys.

Ghosh, Swarnava [ORNL] (ORCID:0000000338005264)↗
DOE OSTI2025

Dual‐Functional High‐Entropy Polymer Exhibiting Giant Cross‐Energy Couplings at Low Fields

A key component of cooling devices is the transfer of entropy from the cold load to heat sink. An electrocaloric (EC) polymer capable of generating both large electrocaloric effect (ECE) and substantial electroactuation can enable EC cooling devices to pump heat without external mechanisms, resulting in compact designs and enhanced efficiency. However, achieving both high ECE and significant electroactuation remains challenging. Herein, it is demonstrated that poly(vinylidene fluoride‐trifluoroethylene‐chlorofluoroethylene‐double bond) [P(VDF‐TrFE‐CFE‐DB)] tetrapolymers can simultaneously generate high electrocaloric effects and electroactuations under low fields. These P(VDF‐TrFE‐CFE‐DB) tetrapolymers are synthesized through the dehydrochlorination of P(VDF‐TrFE‐CFE) terpolymer. By facile tuning the composition of the initial terpolymer to avoid pure relaxor state, tetrapolymers with optimal DB compositions are achieved, near the critical endpoint of normal ferroelectric phase with diffused phase transition. The nearly vanishing energy barriers between the nonpolar to polar phases result in a strong electrocaloric response and significant electroactuation. Specifically, the P(VDF‐TrFE‐CFE‐DB) tetrapolymer exhibits an EC entropy change Δ S of 100 J kg −1 K −1 under 100 MV m −1 : comparable to state‐of‐the‐art (SOA) EC polymers, while delivering nearly twice the electroactuation of the SOA EC polymers. This work presents a general strategy for developing EC materials that combine large electrocaloric effect and electroactuation at low electric fields.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Operando Depth-Resolved Measurement of Solvation Entropy, Interfacial Transport, and Charge-Transfer Kinetics in Lithium-Ion Batteries

Understanding and improving the performance and longevity of lithium-ion batteries critically depends on insight into the dynamic processes occurring at buried electrode-electrolyte interfaces. However, direct, depth-resolved, and operando diagnosis of these interfaces remains a longstanding challenge due to their inaccessibility beneath bulk materials, the limitations of conventional surface- and bulk-sensitive characterization tools, and the difficulty of maintaining realistic cell environments during measurement. These challenges have made it nearly impossible to uniquely resolve important interfacial properties such as charge transfer resistance, SEI (solid electrolyte interphase) resistance, and solvation entropy at the individual electrode interfaces within a working cell, information that is essential for mechanistic insight and accelerated battery design. Here, in this study, we report the development of multiharmonic electro-thermal spectroscopy (METS), an operando technique that enables depth-resolved measurement of solvation entropy, interfacial transport resistance, charge-transfer resistance, and SEI resistance at individual electrode-electrolyte interfaces within practical lithium-ion batteries. By leveraging frequency-dependent, thermal-wave sensing and interface-specific modeling, METS uniquely attributes interfacial properties to specific electrodes, as validated by comparison with traditional electrochemical impedance spectroscopy (EIS). The ability to spatially and temporally resolve interfacial processes in real time provides new diagnostic capabilities that are crucial for mechanistic studies of battery degradation and for the rapid development of next-generation energy storage systems.

Chalise, Divya [University of California, Berkeley↗
DOE OSTI2023

Energetic Insights into the Role of Quaternary Ammonium Cations in Zeolite Synthesis

The thermodynamics of partitioning of an organic structure-directing agent (OSDA) between water and an organic solvent such as chloroform or trichloroethane serve as a proxy for energetic interactions during zeolite synthesis. Using several newly synthesized OSDAs, we have extended our earlier calorimetric and partitioning studies of the thermodynamics of transfer to separate effects of charge (C/N + ratio) and structure in a series of structurally related OSDAs. The Gibbs free energies of transfer are close to zero, resulting from a balance of strongly exothermic and relatively similar enthalpies and strongly negative and relatively similar entropies of transfer. There is no obvious correlation between the thermodynamics of transfer and the efficacy of a given OSDA in the zeolite synthesis. Finally, one must conclude that with bulk energetics of transfer being similar in most cases studied, the critical factors in OSDA function in zeolite synthesis are kinetically rather than thermodynamically controlled and arise from differences in activation energies related to details of OSDA structure and interactions during nucleation of possible zeolite precursors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

On Information Transfer in Dynamical Systems with applications in Control of Non-equilibrium Dynamics

In this paper we develop the concept of information transfer between the Borel-measurable sets for a dynamical system described by a measurable space and a non-singular transformation. The concept is based on how Shannon entropy is transferred between the measurable sets, as the dynamical system evolves. We show that the proposed definition of information transfer satisfies the usual notions of information transfer and causality, namely, zero transfer and transfer asymmetry. Furthermore, we show how the information transfer measure can be used to characterize ergodicity and mixing in dynamical systems. We also develop the computational methods for information transfer computation and apply the framework for optimal placements of actuators and sensors for control of non-equilibrium dynamics.

Sinha, Subhrajit↗
DOE OSTI2024

A heavy QCD axion and the mirror world

We study the mirror world with dark matter arising from the thermal freeze-out of the lightest, stable mirror particle — the mirror electron. The dark matter abundance is achieved for mirror electrons of mass 225 GeV, fixing the mirror electroweak scale near 10 8 GeV. This highly predictive scenario is realized by an axion that acts as a portal between the two sectors through its coupling to the QCD and mirror QCD sectors. The axion is more massive than the standard QCD axion due to additional contributions from mirror strong dynamics. Still, the strong CP problem is solved by this ‘heavy’ axion due to the alignment of the QCD and mirror QCD potentials. Mirror entropy is transferred into the Standard Model sector via the axion portal, which alleviates overproduction of dark radiation from mirror glueball decays. This mirror scenario has a variety of signals: (1) primordial gravitational waves from the first-order mirror QCD phase transition occurring at a temperature near 35 GeV, (2) effects on large-scale structure from dark matter self-interactions from mirror QED, (3) dark radiation affecting the cosmic microwave background, and (4) the rare kaon decay, K + → (π + + axion). The first two signals do not depend on any fundamental free parameters of the theory while the latter two depend on a single free parameter, the axion decay constant.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

A Step in understanding the S 8 tension

Models of dark sectors with a mass threshold can have important cosmological signatures. If, in the era prior to recombination, a relativistic species becomes nonrelativistic and is then depopulated in equilibrium, there can be measurable impacts on the cosmic microwave background as the entropy is transferred to lighter relativistic particles. In particular, if this “step” occurs near z~20, 000, the model can naturally accommodate larger values of H 0 . If this stepped radiation is additionally coupled to dark matter, there can be a meaningful impact on the matter power spectrum as dark matter can be coupled via a species that becomes nonrelativistic and depleted. This can naturally lead to suppressed power at scales inside the sound horizon before the step, while leaving conventional cold dark matter signatures for power outside the sound horizon. We study these effects and show such models can naturally provide lower values of S 8 than scenarios without a step. Furthermore, this suggests these models may provide an interesting framework to address the S 8 tension, both in concert with the H 0 tension and without.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1982

Pressure transfer function of a JT15D nozzle due to acoustic and convected entropy fluctuations

An acoustic transmission matrix analysis of sound propagation in a variable area duct with and without flow is extended to include convected entropy fluctuations. The boundary conditions used in the analysis are a transfer function relating entropy and pressure at the nozzle inlet and the nozzle exit impedance. The nozzle pressure transfer function calculated is compared with JT15D turbofan engine nozzle data. The one dimensional theory for sound propagation in a variable area nozzle with flow but without convected entropy is good at the low engine speeds where the nozzle exit Mach number is low (M=0.2) and the duct exit impedance model is good. The effect of convected entropy appears to be so negligible that it is obscured by the inaccuracy of the nozzle exit impedance model, the lack of information on the magnitude of the convected entropy and its phase relationship with the pressure, and the scatter in the data. An improved duct exit impedance model is required at the higher engine speeds where the nozzle exit Mach number is high (M=0.56) and at low frequencies (below 120 Hz).

Miles, J. H.↗
DOE OSTI2023

Optimization of Dimensions of Smooth and Twisted-Tape-Inserted Tubes for Heat Transfer with NaCl/KCl/MgCl 2 Molten Salts by Principle of Entropy Generation Minimization

The entropy generation minimization principle is used as the criterion to optimize the flow and heat transfer of solar collectors and heat exchangers that use molten salts NaCl–KCl–MgCl 2 and KCl–MgCl 2 . The Gnielinski correlation for the Nusselt number versus Reynolds number, as well as the Moody friction factor given by Petukhov, was used for the calculation of the convective heat transfer coefficient and pressure loss due to friction in smooth tubes. For twisted-tap-inserted tube, equations of Nu and friction factor provided by Manglik and Bergles were used. The objective function, the entropy generation rate of the heat transfer system, was expressed as the function of Reynolds number, Prandtl number, heating flux, tube diameter, etc. As a result of the analysis, the optimum Reynolds number was determined and thereby to determine the optimum Nusselt number, convective heat transfer coefficient, friction factor, and tube diameter, which also allows the calculation of optimum flow velocity. The analysis was conducted in the fluid temperature range of 500–700 °C, which covers the operation temperature for supercritical CO 2 power cycles in concentrated solar power (CSP) system. Here, optimized results from the smooth tube and twisted-tap-inserted tube are compared, which is important to the design of solar receivers for CSP systems.

14 SOLAR ENERGY↗
DOE OSTI2024

Design and Synthesis of PtPdNiCoMn High‐Entropy Alloy Electrocatalyst for Enhanced Alkaline Hydrogen Evolution Reaction: A Theoretically Supported Predictive Design Approach

Electrocatalytic hydrogen generation requires a multifunctional electrocatalyst with abundant active sites to drive multielectron transfer reactions. High entropy alloys (HEA) are five or more-elements with high configurational entropy are considered unique materials for next-generation electrocatalysts. Here, in this work, based on new screening guidelines for catalyst selections that combine density-functional theory calculated Gibbs formation-enthalpy with bond length and electronegativity variance, a novel HEA electrocatalyst consisting of five elements, namely, Pt, Pd, Ni, Co, and Mn has been designed. By simple room temperature electrodeposition, the designed catalyst is prepared and its hydrogen evolution reaction (HER) is explored and validated through experimental and theoretical approaches. The HEA demonstrated a superior HER activity with an overpotential of 22.6 mV at -10 mA cm -2 which outperforms Pt/C commercial catalyst. No evident degradation of the material is detected even after 100 hours of continuous operation under high current density. Moreover, the HEA has shown exceptional performance in harsh electrolyte conditions such as in simulated seawater and actual seawater. Remarkably, the density-functional theory calculated Gibbs formation-enthalpy is small (≈0 eV) compared to Pt/C placing the new HEA near the apex of Trasatti's model of Volcano plot, which is also suggestive of superior HER activity.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Calculation of heat transfer on shuttle type configurations including the effects of variable entropy at boundary layer edge

A relatively simple method is presented for including the effect of variable entropy at the boundary-layer edge in a heat transfer method developed previously. For each inviscid surface streamline an approximate shockwave shape is calculated using a modified form of Maslen's method for inviscid axisymmetric flows. The entropy for the streamline at the edge of the boundary layer is determined by equating the mass flux through the shock wave to that inside the boundary layer. Approximations used in this technique allow the heating rates along each inviscid surface streamline to be calculated independent of the other streamlines. The shock standoff distances computed by the present method are found to compare well with those computed by Maslen's asymmetric method. Heating rates are presented for blunted circular and elliptical cones and a typical space shuttle orbiter at angles of attack. Variable entropy effects are found to increase heating rates downstream of the nose significantly higher than those computed using normal-shock entropy, and turbulent heating rates increased more than laminar rates. Effects of Reynolds number and angles of attack are also shown.

Dejarnette, F. R.↗
NASA NTRS2006

User Guide for Compressible Flow Toolbox Version 2.1 for Use With MATLAB(Registered Trademark); Version 7

This report provides a user guide for the Compressible Flow Toolbox, a collection of algorithms that solve almost 300 linear and nonlinear classical compressible flow relations. The algorithms, implemented in the popular MATLAB programming language, are useful for analysis of one-dimensional steady flow with constant entropy, friction, heat transfer, or shock discontinuities. The solutions do not include any gas dissociative effects. The toolbox also contains functions for comparing and validating the equation-solving algorithms against solutions previously published in the open literature. The classical equations solved by the Compressible Flow Toolbox are: isentropic-flow equations, Fanno flow equations (pertaining to flow of an ideal gas in a pipe with friction), Rayleigh flow equations (pertaining to frictionless flow of an ideal gas, with heat transfer, in a pipe of constant cross section.), normal-shock equations, oblique-shock equations, and Prandtl-Meyer expansion equations. At the time this report was published, the Compressible Flow Toolbox was available without cost from the NASA Software Repository.

Melcher, Kevin J.↗
NASA NTRS2006

Compressible Flow Toolbox

The Compressible Flow Toolbox is primarily a MATLAB-language implementation of a set of algorithms that solve approximately 280 linear and nonlinear classical equations for compressible flow. The toolbox is useful for analysis of one-dimensional steady flow with either constant entropy, friction, heat transfer, or Mach number greater than 1. The toolbox also contains algorithms for comparing and validating the equation-solving algorithms against solutions previously published in open literature. The classical equations solved by the Compressible Flow Toolbox are as follows: The isentropic-flow equations, The Fanno flow equations (pertaining to flow of an ideal gas in a pipe with friction), The Rayleigh flow equations (pertaining to frictionless flow of an ideal gas, with heat transfer, in a pipe of constant cross section), The normal-shock equations, The oblique-shock equations, and The expansion equations.

Melcher, Kevin J.↗
DOE OSTI2021

Charge transfer effect on local lattice distortion in a HfNbTiZr high entropy alloy

We report it is often assumed that atoms are hard spheres in the estimation of local lattice distortion (LLD) in high-entropy alloys (HEAs). However, our study demonstrates that the hard sphere model misses the key effect, charge transfer among atoms with different electronegativities, in the understanding of the severely distorted local structure in the body-centered cubic (BCC) HfNbTiZr HEA. Through the characterization and simulations of the local structure of the HfNbTiZr HEA, we found that the LLD regions in HfNbTiZr have larger average size compared with face-centered cubic (FCC) HEAs, but the magnitude of LLD significantly varies from one atomic site to another because of electron transfer from larger atoms, Hf and Zr, to smaller ones, Nb and Ti. Our finding may form the basis for the design of high performance HEAs through tuning their site-to-site chemical heterogeneity.

36 MATERIALS SCIENCE↗