SEARCH · Search NASA

Results for “thermodynamic stability”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 235 records · Page 13

All sources NASA NTRS DOE OSTI

NASA NTRS1980

The properties of clusters in the gas phase. IV - Complexes of H2O and HNOx clustering on NOx/-/

Thermodynamic quantities for the gas-phase clustering equilibria of NO2(-) and NO3(-) were determined with high-pressure mass spectrometry. A comparison of values of the free energy of hydration derived from the data shows good agreement with formerly reported values at 296 K. New data for larger NO2(-) and NO3(-) hydrates as well as NO2(-)(HNO2)n were obtained in this study. To aid in understanding the bonding and stability of the hydrates of nitrite and nitrate ions, CNDO/2 calculations were performed, and the results are discussed. A correlation between the aqueous-phase total hydration enthalpy of a single ion and its gas-phase hydration enthalpy was obtained. Atmospheric implications of the data are also briefly discussed.

Lee, N.↗

NASA NTRS2003

Impact of Aerosols and Atmospheric Thermodynamics on Cloud Properties within the Climate System

A combination of cloud-top and columnar droplet sizes derived from the multi Tropical Rainfall Measurement Mission (TRMM) sensors reveals the sensitivity of the aerosols effect on cloud-precipitation process due to environmental vertical thermodynamic structure. First, the magnitude of aerosol indirect effect could be larger with the analysis of columnar droplet sizes than that derived from the cloud-top droplet sizes, since column-droplet size can account for the broader droplet spectra in the cloud layers. Second, a combination of cloud- top and columnar droplet sizes reveals that the warm rain process is prevented regardless of the aerosols concentration under a high static stability such as when a strong temperature inversion exists, while a high aerosol concentration suppresses the warm rain formulation under a low static stability.

Matsui, Toshihisa↗

NASA NTRSDate not supplied

Designing Molten Salt Eutectics

Designing stable electrolytes with target properties is an important challenge in realizing next generation energy storage devices. Molten salt eutectics-based electrolytes are known for their stability with minimal parasitic reactions when compared to traditional organic electrolytes and are an attractive option for different battery chemistries. The operating temperature of the molten salt batteries depends on the melting temperature of the eutectic and hence there is a necessity to discover novel low melting temperature molten salt eutectic mixtures for energy storage applications. In this work we develop a high throughput computational screening approach for molten salt mixtures using thermodynamic modeling and machine learning (ML). COSMO-SAC model and ML approaches were independently developed based on the existing experimental data and these models were further used to predict the eutectic melting temperature and composition of several new binary, ternary, and quaternary mixtures. We show that combining ML and thermodynamic modeling strategies is effective in exploring the vast design space of molten salt mixtures.

Ashwin Ravichandran↗

NASA NTRSDate not supplied

A Path to Improving Simulated Properties of Low Clouds over the Beaufort Sea using Airborne In Situ Observations of Subgrid-Scale Variability

Arctic low clouds influence the evolution of the Arctic system through their effects on radiative fluxes, boundary layer mixing, stability, turbulence, humidity, and precipitation. Unfortunately, atmospheric models and retrospective analysis (reanalysis) products struggle to accurately simulate the occurrence and properties of low clouds in the Arctic. One of the main reasons for this problem are the possible unrealistic assumptions that models/reanalyses make about the subgrid-scale (SGS) variability of meteorological properties, as well as the relationship between SGS variability and grid-scale (GS) cloud properties. We utilize cloud and thermodynamic data of low level (primarily) liquid clouds collected from two aircraft campaigns conducted over the Beaufort Sea to better understand and characterize this problem. Examining data from the September 2014 Arctic Radiation-IceBridge Sea and Ice Experiment (ARISE) airborne campaign reveals that GS cloud water variability is closely related with SGS distribution of total water (i.e. water vapor + cloud water). Multiple models/reanalyses use SGS supersaturated total water (relative to GS saturation) as a threshold for partitioning available water for condensation, and indeed we find significant correlation between GS cloud water and SGS supersaturation. However, we also find that the assumption of a static threshold of 100% saturation to be unrealistic. Empirical calculations from the ARISE data show a large sensitivity of this threshold to GS relative humidity, and so a microphysical parameterization allowing the threshold to vary according to GS thermodynamic properties may result in more realistic GS cloud water values. Finally, to determine how sensitive the ARISE-derived results are to that particular campaign, we include additional data from the First International Satellite Cloud Climatology Project (ISCCP) Regional Experiment (FIRE)–Arctic Cloud Experiment (ACE) conducted in 1998. The inclusion of the second dataset will help with demonstrating the robustness of the results and their utility in improving the representation of Arctic clouds in models and reanalyses.

J Brant Dodson↗

NASA NTRSDate not supplied

A Path to Improving Simulated Properties of Low Clouds over the Beaufort Sea using Airborne In Situ Observations of Subgrid-Scale Variability

Arctic low clouds influence the evolution of the Arctic system through their effects on radiative fluxes, boundary layer mixing, stability, turbulence, humidity, and precipitation. Unfortunately, atmospheric models and retrospective analysis (reanalysis) products struggle to accurately simulate the occurrence and properties of low clouds in the Arctic. One of the main reasons for this problem are the possible unrealistic assumptions that models/reanalyses make about the subgrid-scale (SGS) variability of meteorological properties, as well as the relationship between SGS variability and grid-scale (GS) cloud properties. We utilize cloud and thermodynamic data of low level (primarily) liquid clouds collected from two aircraft campaigns conducted over the Beaufort Sea to better understand and characterize this problem. Examining data from the September 2014 Arctic Radiation-IceBridge Sea and Ice Experiment (ARISE) airborne campaign and the 1998 First International Satellite Cloud Climatology Project (ISCCP) Regional Experiment (FIRE)–Arctic Cloud Experiment (ACE) reveals that GS cloud water variability is closely related with SGS distribution of total water (i.e. water vapor + cloud water). We investigate two related approaches to prediction of GS cloud properties from SGS variability: the critical saturation ratio method, and the critical relative humidity method. We find significant correlation between GS cloud water and SGS supersaturation when the critical saturation ratio is set at 100%, as well as a notable relationship between GS cloud water and the width of the SGS total water distribution. Critical relative humidity also compares well with GS cloud water. However, we also find that the assumptions of a static critical saturation ratio of 100% to be unrealistic, as well as a fixed SGS distribution width. Empirical calculations from the ARISE data show a large sensitivity of these SGS variables to GS relative humidity, and so a SGS parameterization allowing them to vary according to GS thermodynamic properties may result in more realistic GS cloud water values.

J. Brant Dodson↗

NASA NTRSDate not supplied

A Path to Improving Simulated Properties of Low Clouds over the Beaufort Sea using Airborne In Situ Observations of Subgrid-Scale Variability

Arctic low clouds influence the evolution of the Arctic system through their effects on radiative fluxes, boundary layer mixing, stability, turbulence, humidity, and precipitation. Unfortunately, atmospheric models and retrospective analysis (reanalysis) products struggle to accurately simulate the occurrence and properties of low clouds in the Arctic. One of the main reasons for this problem are the possible unrealistic assumptions that models/reanalyses make about the subgrid-scale (SGS) variability of meteorological properties, as well as the relationship between SGS variability and grid-scale (GS) cloud properties. We utilize cloud and thermodynamic data of low level (primarily) liquid clouds collected from two aircraft campaigns conducted over the Beaufort Sea to better understand and characterize this problem. Examining data from the September 2014 Arctic Radiation-IceBridge Sea and Ice Experiment (ARISE) airborne campaign and the 1998 First International Satellite Cloud Climatology Project (ISCCP) Regional Experiment (FIRE)–Arctic Cloud Experiment (ACE) reveals that GS cloud water variability is closely related with SGS distribution of total water (i.e. water vapor + cloud water). We examine the influence of three assumed SGS parameters on the estimation of GS cloud water: the width of the SGS PDF of total water (ΔQT), the shape of the SGS PDF, and the critical saturation ratio (Scrit), which partitions the SGS PDF into water that is available or not for conversion to cloud water. Both Scrit and ΔQT influence predicted GS cloud water strongly. ARISE and FIRE-ACE disagree somewhat in the details, but both campaigns support the possibility that more realistic representations of these two parameters may lead to more realistic GS cloud water. In particular, both parameters are sensitive to GS relative humidity, and so we examine the effects of allowing these quantities to vary as an empirically-derived linear function of GS relative humidity. In contrast, the shape of the PDF has little effect on the predicted cloud water – a surprising result that merits additional investigation.

J Brant Dodson↗

NASA NTRS1976

Accretion onto magnetized neutron stars - Structure and interchange instability of a model magnetosphere

A self-consistent model is analyzed for the spherical infall of weakly magnetized plasma into the magnetosphere of a slowly rotating, strongly magnetized neutron star. It is shown that spherical infall is probably a good approximation for X-ray sources which accrete from a stellar wind. The location of the standoff shock which halts the hypersonic infall is estimated along with the emission from the shocked layer. The location of the equilibrium magnetopause and the structure of the magnetic field within it are calculated; it is found that the magnetic poles are true cusps and that the entry of gas due to equilibrium flow across a cusp is almost certainly dominated by the interchange instability near the magnetic equator. The energy principle is applied to derive necessary conditions for the occurrence of this instability. The results indicate that the strong magnetic-pressure gradient stabilizes the gas unless moderately strong radiative cooling takes place and that the cooled plasma enters the magnetosphere as long filaments capable of moving between field lines. The rate at which the equilibrium magnetopause can 'absorb' mass and momentum is derived, the validity of the approximations employed is discussed, and the likely evolution of the sinking filaments is outlined to show that the spatial distribution of the plasma is determined mainly by the dynamics and thermodynamics of the filaments rather than the magnetic-field structure.

Arons, J.↗

NASA NTRS1992

Microstructural transitions during containerless processing of undercooled Fe-Ni alloys

In order to identify the possible hierarchy of microstructural pathways and transitions, a systematic evaluation of the microstructural evolution in undercooled Fe-Ni alloys was performed on uniformly processed samples covering seven orders of magnitude in volume. At appropriate undercooling levels, alternate solidification pathways become thermodynamically possible and metastable product structures can result from the operation of competitive solidification kinetics. For thermal history evaluation, a heat flow analysis was applied and tested with large Fe-Ni alloy particles (1 to 3 mm) to assess undercooling potential. Alloy powders (10 to 150 microns), with large liquid undercoolings, were studied under the same composition and processing conditions to evaluate the solidification kinetics and microstructural evolution, including fcc/bcc phase selection and the thermal stability of a retained metastable bcc phase. The identification of microstructural transitions with controlled variations in sample size and composition during containerless solidification processing was used to develop a microstructure map which delineates regimes of structural evolutions and provides a unified analysis of experimental observations in the Fe-Ni system.

Thoma, D. J.↗

NASA NTRS1999

Experimental Techniques for Thermodynamic Measurements of Ceramics

Experimental techniques for thermodynamic measurements on ceramic materials are reviewed. For total molar quantities, calorimetry is used. Total enthalpies are determined with combustion calorimetry or solution calorimetry. Heat capacities and entropies are determined with drop calorimetry, differential thermal methods, and adiabatic calorimetry . Three major techniques for determining partial molar quantities are discussed. These are gas equilibration techniques, Knudsen cell methods, and electrochemical techniques. Throughout this report, issues unique to ceramics are emphasized. Ceramic materials encompass a wide range of stabilities and this must be considered. In general data at high temperatures is required and the need for inert container materials presents a particular challenge.

Jacobson, Nathan S.↗

NASA NTRS2019

Thermochemistry of Protective Coatings and Molten Silicate Debris

The durability of gas-turbine engine components can be significantly affected by the ingestion of siliceous particles, which can melt at high temperature and corrode protective coatings that are essential for long life requirements. The silicate debris consists mainly of CaO-MgO-Al2O3-SiO2 (CMAS) and is usually ingested by aircraft engines during and after take-off, sticking to their hot surfaces and resulting in the formation of calcium rare-earth silicate oxyapatites. The thermochemistry of coatings and their reaction products with molten silicate debris are crucial to understand in order to improve the durability of gas-turbine engines. Here we discuss results of high temperature drop solution calorimetry, drop-and-catch calorimetry (DnC) and differential thermal analysis (DTA) techniques for the thermodynamic properties of both thermal barrier coatings (TBCs) and environmental barrier coatings (EBCs) and their reaction with CMAS compositions. The enthalpies of solution of Y2Si2O7, Yb2Si2O7, 31YSZ, and 16RESZ based coatings and the oxyapatite are moderately positive. However, oxyapatite formation is only favorable over coating dissolution in terms of enthalpy for 7YSZ. The enthalpies of mixing between the coatings and the molten silicate are less exothermic for Yb2Si2O7 and CaYb4Si3O13 than for 7YSZ, indicating lower energetic stability of the latter against molten silicate corrosion. We also report for the first time the calorimetric measurements of the enthalpies of formation of rare-earth silicate based EBC coatings and oxyapatites (rare-earth, RE = Y, Yb, Gd, Dy, Er, Nd and Sm).

Costa, Gustavo↗

NASA NTRSDate not supplied

Interpretable Tree-Based and Graph Neural Network Approaches for Novel Solid State Electrolyte Design

All-solid-state batteries with Li metal anode can address the safety issues surrounding traditional Li-ion batteries as well as the demand for higher energy densities. However, the development of solid electrolytes simultaneously possessing high ionic conductivity and good chemical and electrochemical stabilities has proven to be a challenge. I will present our informatics approach to explore the Li compound space for promising solid electrolytes using high-throughput multi-property screening and interpretable machine learning. This is accomplished through the generation of a large database of battery-related materials properties of Li compounds. We use tree-based ensemble learning methods and graph neural network approaches to accurately learn relationships between crystal structures and corresponding thermodynamic and kinetic properties, with interpretability being a major focus. Our models give us the ability to enable rapid discovery and design of novel solid-state battery chemistries.

Materials discovery↗

NASA NTRSDate not supplied

Interpretable ML Approaches for Novel Solid State Electrolyte Design

Shreyas J Honrao↗

NASA NTRS2009

Redox Interactions between Iron and Carbon in Planetary Mantles: Implications for Degassing and Melting Processes

Carbon stability in planetary mantles has been studied by numerous authors because it is thought to be the source of C-bearing atmospheres and of C-rich lavas observed at the planetary surface. In the Earth, carbonaceous peridotites and eclogites compositions have been experimentally studied at mantle conditions [1] [2] [3]. [4] showed that the fO2 variations observed in martian meteorites can be explained by polybaric graphite-CO-CO2 equilibria in the Martian mantle. Based on thermodynamic calculations [4] and [5] inferred that the stable form of carbon in the source regions of the Martian basalts should be graphite (and/or diamond), and equilibrium with melts would be a source of CO2 for the martian atmosphere. Considering the high content of iron in the Martian mantle (approx.18.0 wt% FeO; [6]), compared to Earth s mantle (8.0 wt% FeO; [7]) Fe/C redox interactions should be studied in more detail.

Martin, A.↗

NASA NTRS1987

Three-step cylindrical seal for high-performance turbomachines

A three-step cylindrical seal configuration representing the seal for a high performance turbopump (e.g., the space shuttle main engine fuel pump) was tested under static (nonrotating) conditions. The test data included critical mass flux and pressure profiles over a wide range of inlet temperatures and pressures for fluid nitrogen and fluid hydrogen with the seal in concentric and fully eccentric positions. The critical mass flux (leakage rate) was 70% that of an equivalent straight cylindrical seal with a correspondingly higher pressure drop based on the same flow areas of 0.3569 sq cm but 85% that of the straight seal based on the third-step flow area of 0.3044 sq cm. The mass flow rates for the three step cylindrical seal in the fully eccentric and concentric positions were essentially the same, and the trends in flow coefficient followed those of a simple axisymmetric inlet configuration. However, for inlet stagnation temperatures less than the thermodynamic critical temperature the pressure profiles exhibited a flat region throughout the third step of the seal, with the pressure magnitude dependent on the inlet stagnation temperature. Such profiles represent an extreme positive direct stiffness. These conditions engendered a crossover in the pressure profile upstream of the postulated choke that resulted in a local negative stiffness. Flat and crossover profiles resulting from choking within the seal are practically unknown to the seal designer. However, they are of critical importance to turbomachine stability and must be integrated into any dynamic analysis of a seal of this configuration. In addition, choking is highly dependent on geometry, inlet-to-backpressure ratio, and inlet temperature and can occur within the seal even though the backpressure is above the critical pressure.

Hendricks, Robert C.↗

NASA NTRS1992

Mixed-valence iron minerals on Venus: Fe(2+)-Fe(3+) oxides and oxy-silicates formed by surface-atmosphere interactions

Inferences from these investigations are that Fe(3+)-bearing minerals such as hematite magnesioferrite, acmite, and epidote are thermodynamically unstable, and that magnetite is the predominant mixed-valence iron oxide mineral on venus. Recently, the Fe(2+)-Fe(3+) silicate mineral laihunite was proposed to be a reaction product of olivine with the venusian atmosphere. This possibility is discussed further here. We suggest that other mixed-valence Fe(2+)-Fe(3+)-Oz-OH(-) silicates could also result from surface-atmosphere interactions on Venus. Topics discussed include the following: (1) conversion of hematite to magnetite; (2) stability of laihunite; (3) the possible existence of oxy-amphiboles and oxy-micas on Venus; and (4) other mixed-valence Fe(2+)-Fe(3+) silicates likely to exist on Venus.

Burns, Roger G.↗

NASA NTRS2015

Global Ocean Evaporation: How Well Can We Estimate Interannual to Decadal Variability?

Evaporation from the world's oceans constitutes the largest component of the global water balance. It is important not only as the ultimate source of moisture that is tied to the radiative processes determining Earth's energy balance but also to freshwater availability over land, governing habitability of the planet. Here we focus on variability of ocean evaporation on scales from interannual to decadal by appealing to three sources of data: the new MERRA-2 (Modern-Era Retrospective analysis for Research and Applications -2); climate models run with historical sea-surface temperatures, ice and atmospheric constituents (so-called AMIP experiments); and state-of-the-art satellite retrievals from the Seaflux and HOAPS (Hamburg Ocean-Atmosphere Parameters and Fluxes from Satellite) projects. Each of these sources has distinct advantages as well as drawbacks. MERRA-2, like other reanalyses, synthesizes evaporation estimates consistent with observationally constrained physical and dynamical models-but data stream discontinuities are a major problem for interpreting multi-decadal records. The climate models used in data assimilation can also be run with lesser constraints such as with SSTs and sea-ice (i.e. AMIPs) or with additional, minimal observations of surface pressure and marine observations that have longer and less fragmentary observational records. We use the new ERA-20C reanalysis produced by ECMWF embodying the latter methodology. Still, the model physics biases in climate models and the lack of a predicted surface energy balance are of concern. Satellite retrievals and comparisons to ship-based measurements offer the most observationally-based estimates, but sensor inter-calibration, algorithm retrieval assumptions, and short records are dominant issues. Our strategy depends on maximizing the advantages of these combined records. The primary diagnostic tool used here is an analysis of bulk aerodynamic computations produced by these sources and uses a first-order Taylor series analysis of wind speed, SST, near-surface stability and relative humidity variations around climatology to gauge the importance of these components. We find that the MERRA-2 evaporation record is strongly influenced by the availability of wind speed and humidity from passive microwave imagers beginning in the late 1980s as well as by the SST record. The trend over the period 1980 to present is nearly 10%. AMIP or the ERA-20C trends are much smaller. We find that ENSO-related signals involving both wind speed and thermodynamic variability remain the primary signal in the latter and are confirmed by satellite retrievals. We present uncertainty estimates based on the various data sources and discuss the implications for GEWEX water and energy budget science challenges.

Robertson, Franklin R.↗

NASA NTRS2003

A Discrete Constraint for Entropy Conservation and Sound Waves in Cloud-Resolving Modeling

Ideal cloud-resolving models contain little-accumulative errors. When their domain is so large that synoptic large-scale circulations are accommodated, they can be used for the simulation of the interaction between convective clouds and the large-scale circulations. This paper sets up a framework for the models, using moist entropy as a prognostic variable and employing conservative numerical schemes. The models possess no accumulative errors of thermodynamic variables when they comply with a discrete constraint on entropy conservation and sound waves. Alternatively speaking, the discrete constraint is related to the correct representation of the large-scale convergence and advection of moist entropy. Since air density is involved in entropy conservation and sound waves, the challenge is how to compute sound waves efficiently under the constraint. To address the challenge, a compensation method is introduced on the basis of a reference isothermal atmosphere whose governing equations are solved analytically. Stability analysis and numerical experiments show that the method allows the models to integrate efficiently with a large time step.

Zeng, Xi-Ping↗

NASA NTRS1986

Climatic consequences of very high CO2 levels in Earth's early atmosphere

Earth has approximately 60 bars of carbon dioxide tied up in carbonate rocks, or roughly 2/3 the amount of CO2 of the atmosphere of Venus. Two different lines of evidence, one based on thermodynamics and the other on geochemical cycles, indicate that a substantial fraction of thes CO2 may have resided in the atmosphere during the first few hundred million years of the Earth's history. A natural question which arises is whether this much CO2 would have resulted in a runaway greenhouse effect. One dimensional radiative/convective model calculations presented showed that the surface temperature of a hypothetical primitive atmosphere containing 20 bars of CO2 was less than 100 C; thus no runaway greenhouse effect would have occurred. The climatic stability of the early atmosphere is a consequence of three factors: reduced solar luminosity at that time, an increase in planetary albedo caused by Rayleigh scattering by CO2, and the stabilizing effects of a moist convection. The latter two factors are sufficient to prevent a CO2 induced runaway greenhouse effect on the present Earth as well, for CO2 levels up to 100 bars. Further studies are being undertaken to determine whether a runaway greenhouse effect could have occurred during the latter stages of the accretion process and, if so, whether it would have collapsed one the influx of material slowed down.

Katsing, J. F.↗