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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
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Ca-Rich Carbonate Melts: A Regular-Solution Model, with Applications to Carbonatite Magma + Vapor Equilibria and Carbonate Lavas on Venus

A thermochemical model of the activities of species in carbonate-rich melts would be useful in quantifying chemical equilibria between carbonatite magmas and vapors and in extrapolating liquidus equilibria to unexplored PTX. A regular-solution model of Ca-rich carbonate melts is developed here, using the fact that they are ionic liquids, and can be treated (to a first approximation) as interpenetrating regular solutions of cations and of anions. Thermochemical data on systems of alkali metal cations with carbonate and other anions are drawn from the literature; data on systems with alkaline earth (and other) cations and carbonate (and other) anions are derived here from liquidus phase equilibria. The model is validated in that all available data (at 1 kbar) are consistent with single values for the melting temperature and heat of fusion for calcite, and all liquidi are consistent with the liquids acting as regular solutions. At 1 kbar, the metastable congruent melting temperature of calcite (CaCO3) is inferred to be 1596 K, with (Delta)bar-H(sub fus)(calcite) = 31.5 +/- 1 kJ/mol. Regular solution interaction parameters (W) for Ca(2+) and alkali metal cations are in the range -3 to -12 kJ/sq mol; W for Ca(2+)-Ba(2+) is approximately -11 kJ/sq mol; W for Ca(2+)-Mg(2+) is approximately -40 kJ/sq mol, and W for Ca(2+)-La(3+) is approximately +85 kJ/sq mol. Solutions of carbonate and most anions (including OH(-), F(-), and SO4(2-)) are nearly ideal, with W between 0(ideal) and -2.5 kJ/sq mol. The interaction of carbonate and phosphate ions is strongly nonideal, which is consistent with the suggestion of carbonate-phosphate liquid immiscibility. Interaction of carbonate and sulfide ions is also nonideal and suggestive of carbonate-sulfide liquid immiscibility. Solution of H2O, for all but the most H2O-rich compositions, can be modeled as a disproportionation to hydronium (H3O(+)) and hydroxyl (OH(-)) ions with W for Ca(2+)-H3O(+) (approximately) equals 33 kJ/sq mol. The regular-solution model of carbonate melts can be applied to problems of carbonatite magma + vapor equilibria and of extrapolating liquidus equilibria to unstudied systems. Calculations on one carbonatite (the Husereau dike, Oka complex, Quebec, Canada) show that the anion solution of its magma contained an OH mole fraction of (approximately) 0.07, although the vapor in equilibrium with the magma had P(H2O) = 8.5 x P(CO2). F in carbonatite systems is calculated to be strongly partitioned into the magma (as F(-)) relative to coexisting vapor. In the Husereau carbonatite magma, the anion solution contained an F(-) mole fraction of (approximately) 6 x 10(exp -5).

Treiman, Allan H.↗
NASA NTRS1982

Application of the regular associated solution model to the Cd-Te and Hg-Te binary systems

The regular associated solution model is used to treat the phase diagrams of the binary II-VI semiconductor alloy systems Hg-Te and Cd-Te. The equations for the species activity coefficients are used without approximations regarding the magnitudes of the various binary interchange energies or the functional dependence on component mol fraction. The values of the four-adjustable parameters required for description of each system are fixed by fitting liquidus data, and the resulting activity coefficients are used to calculate component partial pressures, which are compared with experimental values as an indpendent check of the validity of the model. The results show that the regular associated solution model provides a usefully accurate, but not complete, description for both the Hg-Te and Cd-Te systems. The relationship of this work to previous investigations is discussed.

Kelley, J. D.↗
NASA NTRS1983

A class of nonideal solutions. 1: Definition and properties

A class of nonideal solutions is defined by constructing a function to represent the composition dependence of thermodynamic properties for members of the class, and some properties of these solutions are studied. The constructed function has several useful features: (1) its parameters occur linearly; (2) it contains a logarithmic singularity in the dilute solution region and contains ideal solutions and regular solutions as special cases; and (3) it is applicable to N-ary systems and reduces to M-ary systems (M or = N) in a form-invariant manner.

Zeleznik, F. J.↗
NASA NTRS1989

Terminal attractors in neural networks

A new type of attractor (terminal attractors) for content-addressable memory, associative memory, and pattern recognition in artificial neural networks operating in continuous time is introduced. The idea of a terminal attractor is based upon a violation of the Lipschitz condition at a fixed point. As a result, the fixed point becomes a singular solution which envelopes the family of regular solutions, while each regular solution approaches such an attractor in finite time. It will be shown that terminal attractors can be incorporated into neural networks such that any desired set of these attractors with prescribed basins is provided by an appropriate selection of the synaptic weights. The applications of terminal attractors for content-addressable and associative memories, pattern recognition, self-organization, and for dynamical training are illustrated.

Zak, Michail↗
NASA NTRS1994

A note on the regularity of solutions of infinite dimensional Riccati equations

This note is concerned with the regularity of solutions of algebraic Riccati equations arising from infinite dimensional LQR and LQG control problems. We show that distributed parameter systems described by certain parabolic partial differential equations often have a special structure that smoothes solutions of the corresponding Riccati equation. This analysis is motivated by the need to find specific representations for Riccati operators that can be used in the development of computational schemes for problems where the input and output operators are not Hilbert-Schmidt. This situation occurs in many boundary control problems and in certain distributed control problems associated with optimal sensor/actuator placement.

Burns, John A.↗
NASA NTRS1988

Terminal attractors for addressable memory in neural networks

A new type of attractors - terminal attractors - for an addressable memory in neural networks operating in continuous time is introduced. These attractors represent singular solutions of the dynamical system. They intersect (or envelope) the families of regular solutions while each regular solution approaches the terminal attractor in a finite time period. It is shown that terminal attractors can be incorporated into neural networks such that any desired set of these attractors with prescribed basins is provided by an appropriate selection of the weight matrix.

Zak, Michail↗
NASA NTRS1974

Regular expansion solutions for small Peclet number heat or mass transfer in concentrated two-phase particulate systems

Steady state heat or mass transfer in concentrated ensembles of drops, bubbles or solid spheres in uniform, slow viscous motion, is investigated. Convective effects at small Peclet numbers are taken into account by expanding the nondimensional temperature or concentration in powers of the Peclet number. Uniformly valid solutions are obtained, which reflect the effects of dispersed phase content and rate of internal circulation within the fluid particles. The dependence of the range of Peclet and Reynolds numbers, for which regular expansions are valid, on particle concentration is discussed.

Yaron, I.↗
NASA NTRS1972

Application of thermodynamics to silicate crystalline solutions

A review of thermodynamic relations is presented, describing Guggenheim's regular solution models, the simple mixture, the zeroth approximation, and the quasi-chemical model. The possibilities of retrieving useful thermodynamic quantities from phase equilibrium studies are discussed. Such quantities include the activity-composition relations and the free energy of mixing in crystalline solutions. Theory and results of the study of partitioning of elements in coexisting minerals are briefly reviewed. A thermodynamic study of the intercrystalline and intracrystalline ion exchange relations gives useful information on the thermodynamic behavior of the crystalline solutions involved. Such information is necessary for the solution of most petrogenic problems and for geothermometry. Thermodynamic quantities for tungstates (CaWO4-SrWO4) are calculated.

Saxena, S. K.↗
NASA NTRS1973

Solid/liquid interfacial free energies in binary systems

Description of a semiquantitative technique for predicting the segregation characteristics of smooth interfaces between binary solid and liquid solutions in terms of readily available thermodynamic parameters of the bulk solutions. A lattice-liquid interfacial model and a pair-bonded regular solution model are employed in the treatment with an accommodation for liquid interfacial entropy. The method is used to calculate the interfacial segregation and the free energy of segregation for solid-liquid interfaces between binary solutions for the (111) boundary of fcc crystals. The zone of compositional transition across the interface is shown to be on the order of a few atomic layers in width, being moderately narrower for ideal solutions. The free energy of the segregated interface depends primarily upon the solid composition and the heats of fusion of the component atoms, the composition difference of the solutions, and the difference of the heats of mixing of the solutions.

Nason, D.↗
NASA NTRS1975

Inverse solutions for laminar boundary-layer flows with separation and reattachment

Numerical solutions of the laminar, incompressible boundary layer equations are presented for flows involving separation and reattachment. Regular solutions are obtained with an inverse approach in which either the displacement thickness or the skin friction is specified; the pressure is deduced from the solution. A vorticity-stream-function formulation of the boundary layer equations is used to eliminate the unknown pressure. Solutions of the resulting finite difference equations, in which the flow direction is taken into account, are obtained by several global iteration schemes which are stable and have unconditional diagonal dominance. Results are compared with Klineberg and Steger's separated boundary layer calculations, and with Briley's solution of Navier-Stokes equations for a separated region. In addition, an approximate technique is presented in which the streamwise convection of vorticity is set equal to zero in the reversed flow region; such a technique results in a quick forward marching procedure for separated flows.

Carter, J. E.↗
NASA NTRS1974

Solutions for laminar boundary layers with separation and reattachment

Numerical solutions of the laminar, incompressible boundary-layer equations are presented for flows involving separation and reattachment. Regular solutions are obtained with an inverse approach in which either the displacement thickness or the skin friction is specified, and the pressure is deduced from the solution. A stream function/vorticity formulation of the boundary-layer equations is used to eliminate the unknown pressure. Solutions of the resulting finite-difference equations, in which the flow direction is taken into account, are obtained by a successive column iteration scheme. Results are compared with Klineberg and Steger's (1974) separated boundary-layer calculations, and with Briley's (1971) solution of the Navier-Stokes equations for a separated region.

Carter, J. E.↗
DOE OSTI2022

Energetics of hydroxylbastnäsite solid solutions, La 1-$\chi$ Nd $\chi$ CO 3 OH

Bastnäsites (LnCO 3 (F,OH)) are a group of common rare earth elements (REE)-bearing minerals and are one of the primary global sources of REE. Due to the chemical similarities among REE, bastnӓsites tend to occur as solid solutions instead of end members in REE containing ores. To better understand the processes and the mechanisms of formation of such deposits, it is essential to determine the thermodynamic properties of bastnӓsites, including hydroxylbastnӓsite (LnCO 3 OH) solid solutions. In this work, we performed detailed structural and calorimetric investigations on synthetic hexagonal La–Nd hydroxylbastnӓsite (La 1-$\chi$ NdCO 3 OH, $\chi$ = 0, 0.25, 0.5, 0.75, 1) solid solutions. X-ray diffraction confirms the crystal structure of the solid solution series in the $\ P$6 space group, and pair distribution function (PDF) analysis reveals local bonding environments characterized by three different types of 9-coordinated metal-oxygen polyhedra. Unit cell parameters of La1–xNdxCO3OH exhibit a nearly linear relation with the Nd content x, suggesting a random distribution of La and Nd in the structure. Their standard enthalpies of formation (Δ$\ H$° f ) were determined by high temperature oxide melt drop solution calorimetry, from which the enthalpies of mixing (Δ$\ H$ mix ) were derived. The Δ$\ H$ mix can be fitted by a regular solution model with an interaction parameter of 12.58 ± 0.16 kJ/mol, suggesting enthalpic metastability of La1–xNdxCO3OH relative to the two endmembers. Combining entropy and enthalpy, we further estimated the Gibbs free energies of mixing (Δ$\ G$ mix ) at relevant temperatures, revealing favorable temperatures under which the intermediate La 1-$\chi$ NdCO 3 OH phases can be stabilized. Such entropy-driven stabilization, as is consistent with our geochemical modeling results, may explain the enhancement of thermal stability of the solid solutions in nature. Additionally, the temperature range constrained from this study may be used to estimate the thermal history of REE bastnӓsite deposit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

The effect of solute on the homogeneous crystal nucleation frequency in metallic melts

A complete calculation that extends the classical theory for crystal nucleation in pure melts to binary alloys has been made. Using a regular solution model, approximate expressions have been developed for the free energy change upon crystallization as a function of solute concentration. They are used, together with model-based estimates of the interfacial tension, to calculate the nucleation frequency. The predictions of the theory for the maximum attainable undercooling are compared with existing experimental results for non-glass forming alloys. The theory is also applied to several easy glass-forming alloys (Pd-Si, Au-Si, Fe-B) for qualitative comparison with the present experimental experience on the ease of glass formation, and for assessment of the potential for formation of the glass in bulk.

Thompson, C. V.↗
NASA NTRS2003

Thermodynamic Modeling of the YO(l.5)-ZrO2 System

The YO1.5-ZrO2 system consists of five solid solutions, one liquid solution, and one intermediate compound. A thermodynamic description of this system is developed, which allows calculation of the phase diagram and thermodynamic properties. Two different solution models are used-a neutral species model with YO1.5 and ZrO2 as the components and a charged species model with Y(+3), Zr(+4), O(-2), and vacancies as components. For each model, regular and sub-regular solution parameters are derived fiom selected equilibrium phase and thermodynamic data.

Jacobson, Nathan S.↗
DOE OSTI2024

Recent developments in mathematical aspects of relativistic fluids

Abstract We review some recent developments in mathematical aspects of relativistic fluids. The goal is to provide a quick entry point to some research topics of current interest that is accessible to graduate students and researchers from adjacent fields, as well as to researches working on broader aspects of relativistic fluid dynamics interested in its mathematical formalism. Instead of complete proofs, which can be found in the published literature, here we focus on the proofs’ main ideas and key concepts. After an introduction to the relativistic Euler equations, we cover the following topics: a new wave-transport formulation of the relativistic Euler equations tailored to applications; the problem of shock formation for relativistic Euler; rough (i.e., low-regularity) solutions to the relativistic Euler equations; the relativistic Euler equations with a physical vacuum boundary; relativistic fluids with viscosity. We finish with a discussion of open problems and future directions of research.

Disconzi, Marcelo (ORCID:0000000234497778)↗
DOE OSTI2025

Overcoming time and complexity limitations in molecular dynamics investigations of equilibrium melting

Abstract A hybrid Monte-Carlo molecular-dynamics method for determining solidus and liquidus compositions in multicomponent systems is presented that overcomes both the time limitations in conventional molecular dynamics that prevent the evolution of distinct solid and liquid compositions via diffusion and the complexity challenge that prevents use of thermodynamic assessment in systems of many components. This hybrid method is validated in the Cu–Ni system against an independent assessment of solidus and liquidus compositions based on the regular solution model. Strategies for efficient mapping of different phase diagrams, based on the thermodynamic parameter T 0 , the temperature at which two phases of the composition X 0 have equal free energies, are presented and then demonstrated for the copper-nickel fully miscible system and the gold–silicon eutectic system. A calculation of the solidus and liquidus sampled during the equilibrium melting of equiatomic CrMnFeCoNi is performed, indicating that this method has potential to be extended to the study of many component alloys.

Au-Si↗
DOE OSTI2022

Ladder symmetries of black holes. Implications for love numbers and no-hair theorems

It is well known that asymptotically flat black holes in general relativity have a vanishing static, conservative tidal response. Here, we show that this is a result of linearly realized symmetries governing static (spin 0,1,2) perturbations around black holes. The symmetries have a geometric origin: in the scalar case, they arise from the (E)AdS isometries of a dimensionally reduced black hole spacetime. Underlying the symmetries is a ladder structure which can be used to construct the full tower of solutions, and derive their general properties: (1) solutions that decay with radius spontaneously break the symmetries, and must diverge at the horizon; (2) solutions regular at the horizon respect the symmetries, and take the form of a finite polynomial that grows with radius. Taken together, these two properties imply that static response coefficients — and in particular Love numbers — vanish. Moreover, property (1) is consistent with the absence of black holes with linear (perturbative) hair. We also discuss the manifestation of these symmetries in the effective point particle description of a black hole, showing explicitly that for scalar probes the worldline couplings associated with a non-trivial tidal response and scalar hair must vanish in order for the symmetries to be preserved.

79 ASTRONOMY AND ASTROPHYSICS↗