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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

Thermodynamic reactivity, growth and characterization of mercurous halide crystals

Thermodynamic calculations were carried out for the Hg-X-O system (X = Cl, Br, I) to identify the potential sources of contamination and relative stability of oxides and oxy-halide phases. The effect of excess mercury vapor pressure on the optical quality of mercurous halide crystal was studied by growing several mercurous chloride crystals from mercury-rich composition. The optical quality of crystals was examined by birefringence interferometry and laser scattering studies. Crystals grown in slightly mercury-rich composition showed improved optical quality relative to stoichiometric crystals.

Singh, N. B.↗

Seeded crystal growth of pseudobinary systems with large liquidus-solidus separation

The design and execution of seeded melt growth involving concentrated alloys is strongly dependent on the crystal-melt interface temperature and its change during seeding and growth. Thermodynamic instabilities during the seeding process can be controlled by the choice of the seed and melt composition and by the axial temperature gradient of the growth apparatus. These basic factors controlling seeded melt growth of concentrated alloys are of major importance for planning space experiments.

Bourret, E. D.↗

Use of SAR imagery and other remotely-sensed data in deriving ice information during a severe ice event on the Grand Banks (Newfoundland)

Image data from synthetic aperture radar (SAR) are used to observe an ice compaction event off the East Coast of Newfoundland in spring, 1987. The information developed from sequential SAR observations is shown to do a remarkably effective job of describing the ice conditions; the difficult variable is the ice thickness which is found to be surprisingly large (2 to 4 times the thickness predictable from thermodynamic growth alone). It may be possible to model the ice thickness using SAR-derived ice motion.

Carsey, F. D.↗

Measured Interfacial Residual Strains Produced by In-Flight Ice

The formation of ice on aircraft is a highly dynamic process during which ice will expand and contract upon freezing and undergoing changes in temperature. Finite Element Analysis (FEA) simulations were performed investigating the stress build up in a simplified case with uniform temperature changes between an idealized ice sample and acrylic substrate. These results were used to place strain gages on custom-built acrylic and aluminum specimens; these specimens were then placed in icing conditions such that ice was grown on top of the specimen. Tee rosettes were placed in two configurations adjacent to thermocouple sensors. It was hypothesized that the ice would expand on freezing and contract as the temperature of the interface returned to the equilibrium conditions. While results from the aluminum specimens matched this hypothesis, results from the acrylic specimens show a short period of contraction followed by a much larger expansion at the interface, indicating more complex ice growth thermodynamics than anticipated. Samples were observed to delaminate, and the data suggests that the residual strain is significant to the shedding of ice for in-flight applications.

residual strain↗

Metastable Solution Thermodynamic Properties and Crystal Growth Kinetics

The crystal growth rates of NH4H2PO4, KH2PO4, (NH4)2SO4, KAl(SO4)2 central dot 12H2O, NaCl, and glycine and the nucleation rates of KBr, KCl, NaBr central dot 2H2O, (NH4)2Cl, and (NH4)2SO4 were expressed in terms of the fundamental driving force of crystallization calculated from the activity of supersaturated solutions. The kinetic parameters were compared with those from the commonly used kinetic expression based on the concentration difference. From the viewpoint of thermodynamics, rate expressions based on the chemical potential difference provide accurate kinetic representation over a broad range of supersaturation. The rates estimated using the expression based on the concentration difference coincide with the true rates of crystallization only in the concentration range of low supersaturation and deviate from the true kinetics as the supersaturation increases.

Kim, Soojin↗

Estimation of Thermodynamic and Dynamic Contributions to Sea Ice Growth in the Central Arctic Using ICESat-2 and MOSAiC SIMBA Buoy Data

The fine spatial resolution of the ICESat-2 (IS2) satellite altimeter allows monitoring the evolution of sea ice thickness with detailed dynamic information (e.g. ridges and leads). In this study, we first assess the ability of IS2 to estimate thermodynamic ice growth and dynamic thickening during the ice-growing season in the central Arctic Ocean. As an indicator of the thermodynamic ice growth, we use 10 thermistor string-based sea ice mass balance array (SIMBA) buoys deployed at a scale of ~ 50 km from the Icebreaker Polarstern during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition. We collect IS2 data within 20 km buffer distance from the individual buoys, and calculate the mode, median, and mean of the IS2-derived ice thickness. The IS2 modal thickness shows the least bias (−0.169 m) with the buoy ice thickness, representing level ice thickness. In addition, the increasing rate of the IS2 modal thickness is close to the thermodynamic ice growth with a small bias of −0.054 cm/day. However, the increasing rates of the IS2 median and mean thickness are greater than the thermodynamic ice growth by about 0.114 cm/day and 0.198 cm/day, respectively, because they also include ice growth caused by thickness redistribution during dynamic deformation. The dynamic contributions may account for 26.1 ± 10.3% and 34.4 ± 10.1% of the total increase of the IS2 median and mean thickness, respectively. Within a ~ 50 km radius area from the MOSAiC Central Observatory, IS2 measurements exhibit that the ridge fraction increased from <2% in November to ~ 4% in March (~0.029%/day of average increasing rate) and ridge height increased about 0.047 cm/day during the same period. However, lead formation does not show significant contributions to the dynamic ice thickening because leads are temporary features lasting only 2–3 days. Although there are considerable uncertainties in IS2 ice thickness estimation and IS2-buoy thickness comparison, this study emphasizes the importance of combining measurements by IS2 and SIMBA buoys to explain the regional sea ice mass balance with separating the thermodynamic and dynamic contributions.

satellite altimeter↗

Evaluation of Arctic Sea Ice Thickness Simulated by Arctic Ocean Model Intercomparison Project Models

Six Arctic Ocean Model Intercomparison Project model simulations are compared with estimates of sea ice thickness derived from pan-Arctic satellite freeboard measurements (2004-2008); airborne electromagnetic measurements (2001-2009); ice draft data from moored instruments in Fram Strait, the Greenland Sea, and the Beaufort Sea (1992-2008) and from submarines (1975-2000); and drill hole data from the Arctic basin, Laptev, and East Siberian marginal seas (1982-1986) and coastal stations (1998-2009). Despite an assessment of six models that differ in numerical methods, resolution, domain, forcing, and boundary conditions, the models generally overestimate the thickness of measured ice thinner than approximately 2 mand underestimate the thickness of ice measured thicker than about approximately 2m. In the regions of flat immobile landfast ice (shallow Siberian Seas with depths less than 25-30 m), the models generally overestimate both the total observed sea ice thickness and rates of September and October ice growth from observations by more than 4 times and more than one standard deviation, respectively. The models do not reproduce conditions of fast ice formation and growth. Instead, the modeled fast ice is replaced with pack ice which drifts, generating ridges of increasing ice thickness, in addition to thermodynamic ice growth. Considering all observational data sets, the better correlations and smaller differences from observations are from the Estimating the Circulation and Climate of the Ocean, Phase II and Pan-Arctic Ice Ocean Modeling and Assimilation System models.

sea ice↗

Fluid Dynamics and Thermodynamics of Vapor Phase Crystal Growth

The ground-based research effort under this program is concerned with systematic studies of the effects of variations: (1) of the relative importance of buoyancy-driven convection, and (2) of diffusion and viscosity conditions on crystal properties. These experimental studies are supported by thermodynamic characterizations of the systems, based on which fluid dynamic parameters can be determined. The specific materials under investigation include: the GeSe-GeI4, Ge-GeI4, HgTe-HgI2, and Hg sub (1-x)Cd sub (x) Te-HgI2 systems. Mass transport rate studies of the GeSe-GeI system as a function of orientation of the density gradient relative to the gravity vector demonstrated the validity of flux anomalies observed in earlier space experiments. The investigation of the effects of inert gases on mass flux yielded the first experimental evidence for the existence of a boundary layer in closed ampoules. Combined with a thorough thermodynamic analysis, a transport model for diffusive flow including chemical vapor transport, sublimation, and Stefan flow was developed.

Wiedemeier, H.↗

Synthesizing Diamond from Liquid Feedstock

A relatively economical method of chemical vapor deposition (CVD) has been developed for synthesizing diamond crystals and films. Unlike prior CVD methods for synthesizing diamond, this method does not require precisely proportioned flows of compressed gas feedstocks or the use of electrical discharges to decompose the feedstocks to obtain free radicals needed for deposition chemical reactions. Instead, the feedstocks used in this method are mixtures of common organic liquids that can be prepared in advance, and decomposition of feedstock vapors is effected simply by heating. The feedstock used in this method is a solution comprising between 90 and 99 weight percent of methanol and the balance of one or more other oxyhydrocarbons that could include ethanol, isopropanol, and/or acetone. This mixture of compounds is chosen so that dissociation of molecules results in the desired proportions of carbon-containing radicals (principally, CH3) and of OH, H, and O radicals. Undesirably, the CVD temperature and pressure conditions thermodynamically favor the growth of graphite over the growth of diamond. The H radicals are desirable because they help to stabilize the growing surface of diamond by shifting the thermodynamic balance toward favoring the growth of diamond. The OH and O radicals are desirable because they preferentially etch graphite and other non-diamond carbon, thereby helping to ensure the net deposition of pure diamond. The non-methanol compounds are included in the solution because (1) methanol contains equal numbers of C and O atoms; (2) an excess of C over O is needed to obtain net deposition of diamond; and (3) the non-methanol molecules contain multiple carbon atoms for each oxygen atom and thus supply the needed excess carbon A typical apparatus used in this method includes a reservoir containing the feedstock liquid and a partially evacuated stainless-steel reaction chamber. The reservoir is connected to the chamber via tubing and a needle valve or other suitable flow controller. When the liquid enters the low-pressure environment inside the chamber, it evaporates to form a vapor mixture of the same chemical composition. In addition to the inlet for the feedstock liquid, the chamber is fitted with an outlet connected to a vacuum pump (not shown) through a throttle valve (also not shown) that is automatically controlled to keep the pressure at or near the required value throughout the deposition process. Inside the chamber, a spiral filament made of tungsten, tantalum, graphite, or other high-melting-temperature material is electrically heated to a temperature >2,000 C high enough to cause dissociation of vapor molecules into the aforementioned radicals. A deposition substrate typically, a diamond-polished silicon wafer about 2.5 cm square is positioned about 2 cm away from the filament. The exact location of the substrate is chosen so that the substrate becomes heated by the filament to a deposition temperature in the approximate range of 800 to 1,000 C.

Tzeng, Yonhua↗

A thermodynamic analysis of propagating subcritical cracks with cohesive zones

The results of the so-called energetic approach to fracture with particular attention to the issue of energy dissipation due to crack propagation are applied to the case of a crack with cohesive zone. The thermodynamic admissibility of subcritical crack growth (SCG) is discussed together with some hypotheses that lead to the derivation of SCG laws. A two-phase cohesive zone model for discontinuous crack growth is presented and its thermodynamics analyzed, followed by an example of its possible application.

Allen, David H.↗

Fluids Experiment Apparatus (FEA)

The Fluids Experiment Apparatus FEA is a modular zero gravity chemistry/physics laboratory to support fundamental space processing research. It can be used to conduct basic and applied process or product experiments in general liquid chemistry, crystal growth, fluid mechanics, thermodynamics, and cell culturing. The various FEA subsystems are readily configured to perform a wide range of investigations.

Martin, M.↗

Protein crystal growth; Proceedings of the First International Conference, Stanford University, CA, August 14-16, 1985

Papers are presented on mechanisms of nucleation and growth of protein crystals, the role of purification in the crystallization of proteins and nucleic acids, and the effect of chemical impurities in polyethylene glycol on macromolecular crystallization. Also considered are growth kinetics of tetragonal lysozyme crystals, thermodynamic and kinetic considerations for crystal growth of complex molecules from solution, protein single-crystal growth under microgravity, and growth of organic crystals in a microgravity environment. Papers are also presented on preliminary investigations of protein crystal growth using the Space Shuttle, convective diffusion in protein crystal growth, and the growth and characterization of membrane protein crystals.

Feigelson, R. S.↗

Evaluating Novel Approaches for In Situ Analysis in the Search for Extraterrestrial Life

Universal approaches to detect extraterrestrial life are required to determine whether life exists outside of earth. A significant limitation of current detection strategies is the absence of a reliable, universal approach. They do not provide mechanisms to detect life that has evolved distinctly from life on Earth. We hypothesize that the most basic, essential features of life that can be detected are that they decrease their internal entropy at the expense of free energy obtained from their surroundings and that they produce heat associated with metabolic reactions. We propose that by using a thermodynamic analysis of the energy associated with these fundamental components of life, one can readily quantify the degree of free energy difference between life forms or their remnants and their abiotic surroundings. Analysis of the free energy entropy term (and thus structural complexity) and enthalpy term (as a manifestation of the energy release caused by metabolic reactions) may provide definitive detection of the presence of life. As a part of our analysis we review data available in the literature about the thermodynamics of microbial growth to assess the extent microbial metabolism and growth may contribute to negative entropy of maintenance (metabolism) and structural complexity. Additionally, we evaluate the different mechanisms by which structural complexity can be measured using calorimetry. An experimental framework is considered using concepts from previous work that could be used to further validate the calorimetric methods for life detection by potentially differentiating between life forms or their remnants from an abiotic surrounding. Results obtained demonstrate the applications of this approach and indicate that modification of a microcalorimetric technique has potential for incorporation into a space exploration platform as a life-detection payload.

Life Detection, Calorimetry↗

Solidification of undercooled liquids

During rapid solidification processing (RSP) the amount of liquid undercooling is an important factor in determining microstructural development by controlling phase selection during nucleation and morphological evolution during crystal growth. While undercooling is an inherent feature of many techniques of RSP, the deepest undercoolings and most controlled studies have been possible in carefully prepared fine droplet samples. From past work and recent advances in studies of nucleation kinetics it has become clear that the initiation of crystallization during RSP is governed usually by heterogeneous sites located at surfaces. With known nucleant sites, it has been possible to identify specific pathways of metastable phase formation and microstructural development in alloys. These advances have allowed for a clearer assessment of the interplay between undercooling, cooling rate and particle size statistics in structure formation. New approaches to the examination of growth processes have been developed to follow the thermal behavior and morphology in small samples in the period of rapid crystallization and recalescence. Based upon the new experimental information from these studies, useful models can be developed for the overall solidification process to include nucleation behavior, thermodynamic constraints, thermal history, growth kinetics, solute redistribution and resulting structures. From the refinement of knowledge concerning the underlying factors that govern RSP a basis is emerging for an effective alloy design and processing strategy.

Perepezko, J. H.↗

Si-Ge-metal ternary phase diagram calculations

Solution crystal growth and doping conditions of Si-Ge alloys used for high-temperature thermoelectric generation are determined here. Liquid-phase epitaxy (LPE) has been successfully employed recently to obtain single-crystalline homogeneous layers of Si-Ge solid solutions from a liquid metal solvent. Knowledge of Si-Ge-metallic solvent ternary phase diagrams is essential for further single-crystal growth development. Consequently, a thermodynamic equilibrium model was used to calculate the phase diagrams of the Si-Ge-M systems, including solid solubilities, where M is Al, Ga, In, Sn, Pb, Sb, or Bi. Good agreement between calculated liquidus and solidus data and experimental DTA and microprobe results was obtained. The results are used to compare the suitability of the different systems for crystal growth (by LPE-type process).

Fleurial, J. P.↗

Uncertainty Quantification of Classical Theories of Dendritic Growth Kinetics Applied to Nickel-Based Alloys

The solidification velocity in a model nickel-alloy single crystal during laser spot melting was recently characterized using synchrotron X-ray imaging. The measured solidification velocity was found to exceed the absolute stability threshold predicted by the Kurz-Giovanola-Trivedi (KGT) model. The discrepancies between the model and experiments motivate the further assessment of accurate material properties. This work quantifies the impact material property uncertainty has on model predictions of the absolute stability threshold velocities. Properties from the literature are reviewed and compared to those calculated using computational thermodynamics to provide uncertainty estimates on input properties to the KGT model. Global sensitivity analysis is used to quantify the influence of each uncertain input property on the predicted threshold velocity. This work supports the understanding of the nickel-alloy solidification during powder bed fusion additive manufacturing and identifies the solidification material properties that are the most important to assess from first-principles computations and experiments.

Computational thermodynamics↗