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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Thermal Stability of π-Conjugated n -Ethylene-Glycol-Terminated Quaterthiophene Oligomers: A Computational and Experimental Study

This work represents a joint computational and experimental study on a series of $\textit{n}$-ethylene glycol (PEO$\textit{n}$)-terminated quaterthiophene (4T) oligomers for 1 < $\textit{n}$ < 10 to elucidate their self-assembly behavior into a smectic-like lamellar phase. This study builds on an earlier study for $\textit{n}$ = 4 that showed that our model predictions were consistent with experimental data on the melting behavior and structure of the lamellar phase, with the latter consisting of crystal-like 4T domains and liquid-like PEO4 domains. The present study aims to understand how the length of the terminal PEO$\textit{n}$ chains modulates the disordering temperature of the lamellar phase and hence the relative stability of the ordered structure. In this work, a simplified bilayer model, where the 4T domains are not explicitly described, is put forward to efficiently estimate the disordering effect of the PEO domains with increasing n; this method is first validated by correctly predicting that layers of alkyl (PE)-capped 4T oligomers (for 1 < $\textit{n}$ < 10) stay ordered at room temperature. Both 4T-domain implicit and explicit model simulations reveal that the order-disorder temperature decreases with the length of the PEO capping chains, as the associated increase in conformational entropy drives a tendency toward disorder that overtakes the cohesive energy, keeping the ordered packing of the 4T domains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Superheating gold beyond the predicted entropy catastrophe threshold

In their landmark study, Fecht and Johnson unveiled a phenomenon that they termed the ‘entropy catastrophe’, a critical point where the entropy of superheated crystals equates to that of their liquid counterparts. This point marks the uppermost stability boundary for solids at temperatures typically around three times their melting point. Despite the theoretical prediction of this ultimate stability threshold, its practical exploration has been prevented by numerous intermediate destabilizing events, colloquially known as a hierarchy of catastrophes, which occur at far lower temperatures. Here we experimentally test this limit under ultrafast heating conditions, directly tracking the lattice temperature by using high-resolution inelastic X-ray scattering. Our gold samples are heated to temperatures over 14 times their melting point while retaining their crystalline structure, far surpassing the predicted threshold and suggesting a substantially higher or potentially no limit for superheating. We point to the inability of our samples to expand on these very short timescales as an important difference from previous estimates. These observations provide insights into the dynamics of melting under extreme conditions.

Laser-produced plasmas↗
DOE OSTI2020

Tuning the melting point of selected ionic liquids through adjustment of the cation’s dipole moment.

In prior research with thermally robust salts [Cassity et al., PCCP, 2017, 19, 31560] it was noted that an increase in the dipole moment of the cation generally led to a decrease in the melting point. Molecular dynamics simulations of the liquid state revealed that an increased dipole moment reduces cation-cation repulsions through dipole-dipole alignment. This was believed to reduce the liquid phase enthalpy, which would tend to lower the melting point of the IL. Here, we also test this principle by replacing hydrogen atoms with fluorine atoms at selected positions within the cation. This allows us to alter the electrostatics of the cation without substantially affecting the sterics. Furthermore, the strength of the dipole moment can be controlled by choosing different positions within the cation for replacement. We studied variants of four different parent cations paired with bistriflimide and determined their melting points, and enthalpies and entropies of fusion through DSC experiments. The decreases in the melting point were determined to be enthalpically driven. We found that the dipole moment of the cation, as determined by quantum chemical calculations, is inversely correlated with the melting point of the given compound. Molecular dynamics simulations of the crystalline and solid states of two isomers showed differences in their enthalpies of fusion that closely matched those seen experimentally. Moreover, this reduction in the enthalpy of fusion was determined to be caused by an increase in the enthalpy of the crystalline state. We provide evidence that dipole-dipole interactions between cations leads to the formation of cationic domains in the crystalline state. These cationic associations partially block favourable cation–anion interactions, which are recovered upon melting. If, however, the dipole- dipole interactions between cations is too strong they have a tendency to form glasses. This study provides a design rule for lowering the melting point of structurally similar ILs by altering their dipole moment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1972

Luna 16 sample G36 - Another crystalline product of an extremely mafic magma.

Luna 16 sample G36 is a microbasalt containing skeletal olivine, plagioclase, ilmenite, and interstitial pyroxene. It apparently resulted from very rapid crystallization of a highly fractionated, totally liquid mafic magma. Although different in many details, G36 is generally similar to the ferromagnesian-rich Apollo 11 and 12 basalts. In this respect, it emphasizes the continuing problem of identifying a process on the moon which generated highly mafic magmas.

Hollister, L. S.↗
NASA NTRS1982

Improved Facility for Producing Silicon Web

Growth of continuous silicon dendritic web that is up to 5 cm wide instead on only 1.3 cm is formed by freezing of supercooled liquid silicon between two needlelike dendritic crystals. Growth takes place in a work chamber filled with argon gas. As web grows, it is drawn out of chamber through a duct and guided to a storage reel.

Duncan, C. S.↗
NASA NTRS1981

Energy efficient engine high-pressure turbine single crystal vane and blade fabrication technology report

The objective of the High-Pressure Turbine Fabrication Program was to demonstrate the application and feasibility of Pratt & Whitney Aircraft-developed two-piece, single crystal casting and bonding technology on the turbine blade and vane configurations required for the high-pressure turbine in the Energy Efficient Engine. During the first phase of the program, casting feasibility was demonstrated. Several blade and vane halves were made for the bonding trials, plus solid blades and vanes were successfully cast for materials evaluation tests. Specimens exhibited the required microstructure and chemical composition. Bonding feasibility was demonstrated in the second phase of the effort. Bonding yields of 75 percent for the vane and 30 percent for the blade were achieved, and methods for improving these yield percentages were identified. A bond process was established for PWA 1480 single crystal material which incorporated a transient liquid phase interlayer. Bond properties were substantiated and sensitivities determined. Tooling die materials were identified, and an advanced differential thermal expansion tooling concept was incorporated into the bond process.

Giamei, A. F.↗
NASA NTRS1981

Radar spectral observations of snow

Radar remote sensing experiments have been conducted at test sites in Kansas, Colorado, and South Dakota over the last six years to examine backscatter coefficient response to snowcovered terrain. Truck-mounted 1-35 GHz scatterometers were employed in conjunction with detailed ground-truth measurements. From these experiments and associated modeling efforts, most of the fundamental questions concerning backscatter behavior in response to important snow parameters have been, at least qualitatively, answered. The optimum angular range seems to be between 20 and 50 deg and, for these angles, the results indicate that the radar backscatter generally: (1) increases with increasing water equivalent, (2) decreases with increasing liquid water, (3) increases with increasing crystal size, (4) is insensitive to surface roughness for dry snow conditions, and (5) can be sensitive to soil state if the snowcover is dry. This paper gives a summary of these results, along with empirical and theoretical models for describing the backscatter from snow.

Stiles, W. H.↗
NASA NTRS1982

Layered transition metal thiophosphates /MPX3/ as photoelectrodes in photoelectrochemical cells

Layered crystals of the transition metal thiophosphates were synthesized and characterized for use as photoelectrodes in photoelectrochemical cells. Crystals incorporating tin and manganese show n-type response while those with iron and nickel show p-type response. These materials have a measured indirect bandgap of about 2.1 eV. They show ability to photoelectrolyze water in acid solutions with onset potentials which change in a Nernstian way as the PH of the solution changes. The onset potential is near zero volts versus a saturated calomel electrode at pH 2. At n-type crystals, oxygen could be evolved upon irradiation at underpotentials of 850 mV and at p-type crystals, hydrogen could be evolved at underpotentials of 400 mV, indicating a net gain in energy conversion. All crystals were unstable in basic solution. Liquid junction photovoltaic cells in iodide-triiodide acid solution using these layered materials were also constructed and found to have low efficiences.

Byvik, C. E.↗
NASA NTRS1987

Image processing by four-wave mixing in photorefractive GaAs

Three image processing experiments were performed by degenerate four-wave mixing in photorefractive GaAs. The experiments were imaging by phase conjugation, edge enhancement, and autocorrelation. The results show that undoped, semiinsulating, liquid-encapsulated Czochralski-grown GaAs crystals can be used as effective optical processing media despite their small electrooptic coefficient.

Gheen, Gregory↗
NASA NTRS1988

The Petrogenetic significance of Plagioclase megacrysts in Archean rocks

The petrogenetic significance of plagioclase megacryst-bearing Archean rocks was considered. It was suggested that these developed in mid-to upper-crustal magma chambers that were repeatedly replenished. Crystallization of megacrysts from a primitive liquid that evolves to an Fe-rich tholeiite (with LREE enrichment) is nearly isothermal and is an equilibrium process. Cumulates probably form near the margins of the chambers and liquids with megacrysts are periodically extracted and can appear as volcanics. Some flows and intrusives are found in arc-like settings in greenstone belts. Megacrystic dikes represent large volumes of melt and dike swarms such as the Metachawan swarm of Ontario suggest multiple sources of similar compositions. A complex series of melt ponding and migration are probable and involve large amounts of liquid.

Morrison, D. A.↗
NASA NTRS1988

Photorefractive gain in GaAs under a dc electric field

This paper reports on the first observation of a photorefractive gain coefficient as high as 2.6/cm in the undoped liquid-encapsulated Czochralski-grown GaAs crystals at 1.06 microns under a dc electric field of 13 kV/cm without using the moving grating technique.The absorption coefficient of the crystals used is 1.3/cm, showing that a net gain has been achieved. This measured gain coefficient is close to the predicted theoretical value.

Liu, Duncan T. H.↗
NASA NTRS1989

Ginzburg-Landau theory for the solid-liquid interface of bcc elements. II - Application to the classical one-component plasma, the Wigner crystal, and He-4

The previously developed Ginzburg-Landau theory for calculating the crystal-melt interfacial tension of bcc elements to treat the classical one-component plasma (OCP), the charged fermion system, and the Bose crystal. For the OCP, a direct application of the theory of Shih et al. (1987) yields for the surface tension 0.0012(Z-squared e-squared/a-cubed), where Ze is the ionic charge and a is the radius of the ionic sphere. Bose crystal-melt interface is treated by a quantum extension of the classical density-functional theory, using the Feynman formalism to estimate the relevant correlation functions. The theory is applied to the metastable He-4 solid-superfluid interface at T = 0, with a resulting surface tension of 0.085 erg/sq cm, in reasonable agreement with the value extrapolated from the measured surface tension of the bcc solid in the range 1.46-1.76 K. These results suggest that the density-functional approach is a satisfactory mean-field theory for estimating the equilibrium properties of liquid-solid interfaces, given knowledge of the uniform phases.

Zeng, X. C.↗
NASA NTRS1993

Explosive volcanism and the compositions of cores of differentiated asteroids

Eleven iron meteorite groups show correlations between Ni and siderophile trace elements that are predictable by distribution coefficients between liquid and solid metal in fractionally crystallizing metal magmas. These meteorites are interpreted to be fragments of the fractionally crystallized cores of eleven differentiated asteroids. Many of these groups crystallized from S-depleted magmas which we propose resulted from removal of the first partial melt (the Fe,Ni-FeS cotectic melt) by explosive pyroclastic volcanism of the type envisaged by Wilson and Keil (1991). We show that these dense, negatively buoyant melts can be driven to asteroidal surfaces due to the presence of excess pressure in the melt and the presence of buoyant bubbles of gas which decrease the density of the melt. We also show that, in typical asteroidal materials, veins will form which grow into dikes and serve as pathways for migration of melt and gas to asteroidal surfaces. Since cotectic Fe, Ni-FeS melt consists of about 85 wt pct FeS and 15 wt pct Fe, Ni, removal of small volumes of eutectic melts results in major loss of S but only minor loss of Fe,Ni, thus leaving sufficient Fe,Ni to form sizeable asteroidal cores.

Keil, Klaus↗
NASA NTRS1993

Explosive volcanism and the compositions of the cores of differentiated asteroids

Eleven iron meteorite groups showing correlations between Ni and siderophile trace elements that are predictable by distribution coefficients between liquid and solid metal of fractionally crystallizing metal magmas, are interpreted to be fragments of the fractionally crystallized cores of 11 differentiated asteroids. Many of these groups crystallized from S-depleted magmas which we propose resulted from removal of the first partial melt (a Fe,Ni-FeS cotectic) by explosive pyroclastic volcanism. It is shown that these dense, negatively buoyant melts can be driven to asteroidal surfaces by the combination of an excess pressure in the melt and the presence of buoyant bubbles of gas which decrease the bulk density of the melt. It is also shown that in typical asteroidal materials, veins will form which grow into dikes and serve as pathways for migration of melt and gas to asteroidal surfaces. Since cotectic Fe,Ni-FeS melt consists of about 85 wt. percent FeS and 15 wt. percent Fe,Ni, removal of small volumes of eutectic melts results in major loss of S but only minor loss of Fe,Ni, thus leaving sufficient Fe,Ni to form sizeable asteroidal cores.

Keil, Klaus↗
NASA NTRS1994

Influence of flow on interface shape stability in low gravity

The objectives are to: (1) Understand the influence in low gravity of flow on interface shape. For example, document and control the influence of axial flow on the Plateau-Rayleigh instability of a liquid bridge; and (2) Extend the ground-based density-matching technique of low gravity simulation to situations with flow; that is, develop Plateau chamber experiments for which flow can be controlled. Containerless containment of liquid by surface tension has broad importance in low gravity. For space vehicles, the behavior of liquid/gas interfaces is crucial to successful liquid management systems. In microgravity science, free interfaces are exploited in various applications. Examples include float-zone crystal growth, phase separation near the critical point of liquid mixtures (spinoidal decomposition) and quenching of miscibility gap molten metal alloys. In some cases, it is desired to stabilize the capillary instability while in others it is desired to induce capillary breakup. In all cases, understanding the stability of interface shape in the presence of liquid motion is central.

Steen, Paul H.↗
NASA NTRS1996

Bubble formation in microgravity

An extensive experimental program was initiated for the purpose of understanding the mechanisms leading to bubble generation during fluid handling procedures in a microgravity environment. Several key fluid handling procedures typical for PCG experiments were identified for analysis in that program. Experiments were designed to specifically understand how such procedures can lead to bubble formation. The experiments were then conducted aboard the NASA KC-135 aircraft which is capable of simulating a low gravity environment by executing a parabolic flight attitude. However, such a flight attitude can only provide a low gravity environment of approximately 10-2go for a maximum period of 30 seconds. Thus all of the tests conducted for these experiments were designed to last no longer than 20 seconds. Several experiments were designed to simulate some of the more relevant fluid handling procedures during protein crystal growth experiments. These include submerged liquid jet cavitation, filling of a cubical vessel, submerged surface scratch, attached drop growth, liquid jet impingement, and geysering experiments. To date, four separate KC-135 flight campaigns were undertaken specifically for performing these experiments. However, different experiments were performed on different flights.

Antar, Basil N.↗