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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 NTRS1980

Form-drag instability, multiple equilibria and propagating planetary waves in baroclinic, orographically forced, planetary wave systems

A two-layer baroclinic model is used to study the planetary-scale motions of a thermally driven atmosphere in the presence of topography, and in doing so to extend previous results obtained with a barotropic model. Highly truncated spectral equations are used to obtain multiple wavelike stationary equilibrium states, to examine the instabilities that produce them, and to study the instabilities that feed on them and give rise to traveling planetary waves. Although the equilibria cannot exist without orography, their energy comes from the potential energy of the mean flow, not from kinetic energy transfer via the mountain torque. Low-index (blocking) equilibria as well as high-index equilibria require a large thermal driving and are associated with both orographic and baroclinic instability of the Hadley circulation. It is suggested that blocking in nature is a quasi-stable circulation arising from orographic instability with strong thermal driving; and that observed low-frequency, propagating planetary waves are due to instabilities of the quasi-stationary, topographically forced equilibria.

Charney, J. G.↗
NASA NTRS1984

On the topological stability of magnetostatic equilibria

The topological stability of MHD equilibria is investigated by exploring the formal analogy, in the ideal MHD limit, between the topology of magnetic lines of force in coordinate space and the topology of integral surfaces of one- and two-dimensional Hamiltonian systems in phase space. It is demonstrated that in an astrophysical setting, symmetric magnetostatic equilibria satisfying the ideal MHD equations are exceptional. The principal result of the study is that previous infinitesimal perturbation theory calculations can be generalized to include finite-amplitude and symmetry-breaking effects. The effect of the ergodicity of perturbed symmetric equilibria on heat dispersal in magnetically dominated plasmas is discussed.

Tsinganos, K. C.↗
NASA NTRS1984

Solution influence on biomolecular equilibria - Nucleic acid base associations

Various attempts to construct an understanding of the influence of solution environment on biomolecular equilibria at the molecular level using computer simulation are discussed. First, the application of the formal statistical thermodynamic program for investigating biomolecular equilibria in solution is presented, addressing modeling and conceptual simplications such as perturbative methods, long-range interaction approximations, surface thermodynamics, and hydration shell. Then, Monte Carlo calculations on the associations of nucleic acid bases in both polar and nonpolar solvents such as water and carbon tetrachloride are carried out. The solvent contribution to the enthalpy of base association is positive (destabilizing) in both polar and nonpolar solvents while negative enthalpies for stacked complexes are obtained only when the solute-solute in vacuo energy is added to the total energy. The release upon association of solvent molecules from the first hydration layer around a solute to the bulk is accompanied by an increase in solute-solvent energy and decrease in solvent-solvent energy. The techniques presented are expectd to displace less molecular and more heuristic modeling of biomolecular equilibria in solution.

Pohorille, A.↗
NASA NTRS1990

Bifurcations of relative equilibria

The characteristics of equivariant dynamical systems near relative equilibria (RE: group orbits which are invariant in the flow of an equivariant vector field) are investigated analytically, with a focus on the dynamics and bifurcation (B) behavior. The principles of Lie-group theory are reviewed; the decomposition of the vector field is explained; and particular attention is given to the Bs of RE occurring when an eigenvalue passes through zero, Hopf Bs of RE, the classification of generic secondary steady-state and Hopf Bs with symmetry group O(2), Bs of the zero solution of the Kuramoto-Shivashinsky equation, and possible generic steady-state Bs in the two-dimensional Benard problem. In the latter case, it is shown that the primary generic Bs are to two types of equilibria (hexagons and rolls), while the secondary Bs result in trajectories which are either equilibria or rotating waves.

Krupa, Martin↗
NASA NTRS1994

A note on two-dimensional asymptotic magnetotail equilibria

In order to understand, on the fluid level, the structure, the time evolution, and the stability of current sheets, such as the magnetotail plasma sheet in Earth's magnetosphere, one has to consider magnetic field configurations that are in magnetohydrodynamic (MHD) force equilibrium. Any reasonable MHD current sheet model has to be two-dimensional, at least in an asymptotic sense (B(sub z)/B (sub x)) = epsilon much less than 1. The necessary two-dimensionality is described by a rather arbitrary function f(x). We utilize the free function f(x) to construct two-dimensional magnetotail equilibria are 'equivalent' to current sheets in empirical three-dimensional models. We obtain a class of asymptotic magnetotail equilibria ordered with respect to the magnetic disturbance index Kp. For low Kp values the two-dimensional MHD equilibria reflect some of the realistic, observation-based, aspects of three-dimensional models. For high Kp values the three-dimensional models do not fit the asymptotic MHD equlibria, which is indicative of their inconsistency with the assumed pressure function. This, in turn, implies that high magnetic activity levels of the real magnetosphere might be ruled by thermodynamic conditions different from local thermodynamic equilibrium.

Voigt, Gerd-Hannes↗
NASA NTRS1994

Three-dimensional force-free looplike magnetohydrodynamic equilibria

Computations of three-dimensional force-free magnetohydrodynamic (MHD) equilibria, del x B = lambdaB with lambda = lambda(sub 0), a constant are presented. These equilibria are determined by boundary conditions on a surface corresponding to the solar photosphere. The specific boundary conditions used correspond to looplike magnetic fields in the corona. It is found that as lambda(sub 0) is increased, the loops of flux become kinked, and for sufficiently large lambda(sub 0), develop knots. The relationship between the kinking and knotting properties of these equilibria and the presence of a kink instability and related loss of equilibrium is explored. Clearly, magnetic reconnection must be involved for an unknotted loop equilibrium to become knotted, and speculations are made about the creation of a closed hyperbolic field line (X-line) about which this reconnection creating knotted field lines is centered.

Finn, John M.↗
NASA NTRS2022

Low-Pressure and Low-Temperature Phase Equilibria Applied to Pluto’s Lower Atmosphere

While phase equilibria at conditions on Pluto's surface have been studied, the fate of the equilibria in the lower atmosphere as the altitude increases has not. In this study, the gravitational effect is included in the thermodynamic modeling so that not only the deposition point can be located, but also the vertical pressure and density profiles below the deposition point can be determined along with the corresponding compositional profiles in the equilibrium phases. The non-ideality of vapour-solid phase equilibria at low pressures and temperatures is also discussed for Pluto's applications to allow for more accurate calculations if a conventional method such as modified Raoult's law is used.

Sugata P Tan↗
NASA NTRS1995

Phase equilibria of H2SO4, HNO3, and HCl hydrates and the composition of polar stratospheric clouds

Thermodynamic properties and phase equilibria behavior for the hydrates and coexisting pairs of hydrates of common acids which exist in the stratosphere are assembled from new laboratory measurements and standard literature data. The analysis focuses upon solid-vapor and solid-solid-vapor equilibria at temperatures around 200 K and includes new calorimetric and vapor pressure data. Calculated partial pressures versus 1/T slopes for the hydrates and coexisting hydrates agree well with experimental data where available.

Wooldridge, Paul J.↗
NASA NTRS1995

Phase Equilibria of H2SO4, HNO3, and HCl Hydrates and the Composition of Polar Stratospheric Clouds

Thermodynamic properties and phase equilibria behavior for the hydrates and coexisting pairs of hydrates of common acids which exist in the stratosphere are assembled from new laboratory measurements and standard literature data. The analysis focuses upon solid-vapor and solid-solid-vapor equilibria at temperatures around 200 K and includes new calorimetric and vapor pressure data. Calculated partial pressures versus 1/T slopes for the hydrates and coexisting hydrates agree well with experimental data where available.

Wooldridge, Paul J.↗
NASA NTRS2000

Multiple Quasi-Equilibria of the ITCZ and the Origin of Monsoon Onset: Rotational ITCZ Attractors - Part 2

Chao's numerical and theoretical work on multiple quasi-equilibria of the intertropical convergence zone (ITCZ) and the origin of monsoon onset is extended to solve two additional puzzles. One is the highly nonlinear dependence on latitude of the "force" acting on the ITCZ due to earth's rotation, which makes the multiple quasi-equilibria of the ITCZ and monsoon onset possible. The other is the dramatic difference in such dependence when different cumulus parameterization schemes are used in a model. Such a difference can lead to a switch between a single ITCZ at the equator and a double ITCZ, when a different cumulus parameterization scheme is used. Sometimes one of the double ITCZ can diminish and only the other remain, but still this can mean different latitudinal locations for the single ITCZ. A single idea based on two off-equator attractors for the ITCZ, due to earth's rotation and symmetric with respect to the equator, and the dependence of the strength and size of these attractors on the cumulus parameterization scheme solves both puzzles. The origin of these rotational attractors, explained in Part I, is further discussed. The "force" acting on the ITCZ due to earth's rotation is the sum of the "forces" of the two attractors. Each attractor exerts on the ITCZ a "force" of simple shape in latitude; but the sum gives a shape highly varying in latitude. Also the strength and the domain of influence of each attractor vary, when change is made in the cumulus parameterization. This gives rise to the high sensitivity of the "force" shape to cumulus parameterization. Numerical results, of experiments using Goddard's GEOS general circulation model, supporting this idea are presented. It is also found that the model results are sensitive to changes outside of the cumulus parameterization. The significance of this study to El Nino forecast and to tropical forecast in general is discussed.

Chao, Winston C.↗
NASA NTRS2004

Finding Bounded Rational Equilibria: Iterative Focusing - Part 1

A long-running difficulty with conventional game theory has been how to modify it to accommodate the bounded rationality characterizing all real-world players. A recurring issue in statistical physics is how best to approximate joint probability distributions with decoupled (and therefore far more tractable) distributions. It has recently been shown that the same information theoretic mathematical structure, known as Probability Collectives (PC) underlies both issues. This relationship between statistical physics and game theory allows techniques and insights from the one field to be applied to the other. In particular, PC provides a formal model-independent definition of the degree of rationality of a player and of bounded rationality equilibria. This pair of papers extends previous work on PC by introducing new computational approaches to effectively find bounded rationality equilibria of common-interest (team) games.

Wolpert, David H.↗
NASA NTRS2004

Finding Bounded Rational Equilibria: Alternative Lagrangians and Uncountable Move Spaces - Part 2

A long-running difficulty with conventional game theory has been how to modify it to accommodate the bounded rationality characterizing all real-world players. A recurring issue in statistical physics is how best to approximate joint probability distributions with decoupled (and therefore far more tractable) distributions. It has recently been shown that the same information theoretic mathematical structure, known as Probability Collectives (PC) underlies both issues. This relationship between statistical physics and game theory allows techniques and insights &om the one field to be applied to the other. In particular, PC provides a formal model-independent definition of the degree of rationality of a player and of bounded rationality equilibria. This pair of papers extends previous work on PC by introducing new computational approaches to effectively find bounded rationality equilibria of common-interest (team) games.

Wolpert, David H.↗
NASA NTRS2018

Trajectory Design Leveraging Low-Thrust, Multi-Body Equilibria and Their Manifolds

A key challenge in low-thrust trajectory design is generating preliminary solutions that simultaneously specify the spacecraft position and velocity vectors, as well as the thrust history. To mitigate this difficulty, dynamical structures within a combined low-thrust circular restricted 3-body problem (CR3BP) are nvestigated as candidate solutions to seed initial low-thrust trajectory designs. The addition of low-thrust to the CR3BP modifies the locations and stability of the equilibria, offering novel geometries for mission applications. Transfers between these novel equilibria are constructed by leveraging the associated stable and unstable manifolds and insights from the low-thrust CR3BP.

multi-body↗
NASA NTRS2018

Trajectory Design Leveraging Low-Thrust, Multi-Body Equilibria and Their Manifolds

A key challenge in low-thrust trajectory design is generating preliminary solutions that simultaneously specify the spacecraft position and velocity vectors, as well as the thrust history. To mitigate this difficulty, dynamical structures within a combined low-thrust circular restricted 3-body problem (CR3BP) are investigated as candidate solutions to seed initial low-thrust trajectory designs. The addition of low-thrust to the CR3BP modifies the locations and stability of the equilibria, offering novel geometries for mission applications. Transfers between these novel equilibria are constructed by leveraging the associated stable and unstable manifolds and insights from the low-thrust CR3BP.

low thrust↗
NASA NTRSDate not supplied

Testing and Application of Commercial Thermodynamics Software for Solid-Gas Equilibria in Planetary Science Applications

The ability to calculate chemical equilibria from thermochemical constants (e.g., H, S, Cp) or other experimental data is a tool widely employed by scientists. However, phase equilibria for planetary science problems is limited by easy access to libraries of thermochemical data, as well as the software to invert that data. Many academic software packages are focused on specific types of problems (e.g., aqueous solutions or melting and crystallization of magmas). This focus makes them excellent tools for specific uses, but poorer tools for other scenarios, especially those involving elements or chemical species that are less well-studied in that specific scientific field (e.g. NaCl vapor). Amongst the more general thermodynamic software tools, there are closed academic software packages, open-source options, as well as commercial software. We have explored the extent to which commercial chemistry/chemical engineering software may be able to satisfy the need for thermochemical modeling packages that can accommodate the diverse species and conditions of planetary science problems. Here we compare the output of software package HSC Chemistry™ (Metso Outotec) to published vapor-solid phase diagrams for a variety of major and minor elements. HSC Chemistry™ has been used in several recent geochemical studies of terrestrial volcanic systems [2- 4]. However, it has not to our knowledge been benchmarked against peer-reviewed model results for the conditions and compositions relevant to planetary science. We present one such comparison here, the low- pressure environment of the solar nebula, using literature data. In short, we find excellent agreement between HSC Chemistry™ and the well-regarded academic software package CONDOR. These preliminary results suggest that at least some commercial software packages are capable of robust thermochemical calculations for planetary science.

planetary science↗
NASA NTRSDate not supplied

Machine Learning Applications to Metal-Silicate Equilibria and their Insights into Core Formation

An extensive number of studies have experimentally investigated how elements distribute between metal and silicate phases, to better constrain core-mantle chemical equilibrium. Here, we present a new database compiling all (to our knowledge) experimental data on liquid metal-silicate partitioning from 118 peer-reviewed publications. We applied various machine learning techniques to gain further insights into these partitioning equilibria and their dependencies. We performed a network analysis to investigate the relationship between experiments and partition coefficients, which enables visualizing gaps in the experimental dataset and biases related to varying experimental conditions and analytical setup. In addition, semi-empirical thermodynamic models are commonly used to extrapolate these chemical reactions to the wide range of pressure, temperature and compositional conditions of planetary differentiation. These models are based on linear regressions that assume continuous relationship between partition coefficients and experimental variables. Here, we considered random forest regressions, which are algorithms based on ensembles of decision trees and does not consider continuous effects of each variable. The application of this regression significantly improves the prediction of metal-silicate partitioning for several elements including Ni, Si and Cr. We will show how this new approach improves our understanding of elemental exchange between metal and silicate and their implications for the Earth’s core formation.

siderophile element↗