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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Electronic and vibrational properties of lithium doped graphene

In the frame-work of density functional theory calculation, using planewave pseudopotentials within local density approximation, the electronic and vibrational properties of graphene supercell by adsorption of lithium at three different sites top, hollow and bridge, have been systematically investigated and analyzed. We found that the hollow site is the most favorable site having lowest energy and positive phonon frequency throughout Brillouin zone indicating dynamical stability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Effect of Dopant Size and Dopant Concentration on the Crystallization Pressure of Phase Change Materials: The Role of Local Order and Non-local Interactions

Ge{sub 0.15}Sb{sub 0.85} is a phase change material that undergoes a transition from a semi-conducting glass to a crystalline metal when being densified. In this work, we investigate some parameters controlling the crystallization pressure P{sub c} in related compounds by conducting high-pressure experiments on initially amorphous, germanium- and silicon-doped antimony. We find that the amorphous phase is stabilized to higher pressures when the dopant size is decreased. This result can be easily rationalized under the assumption that in the glass, Ge and Si atoms occupy tetrahedral or related small coordination shells. When pressure increases, the larger Ge atoms move sooner into the larger octahedral shells, which are characteristic for the crystal, than the smaller Si atoms do. We also find that P{sub c} increases quickly with Ge and Si concentrations. This observation implies that the pressure-induced change of coordination cannot be a local, elementary event, but that the four-coordination of the group-14 atoms is stabilized by the presence of other four-coordinated atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2014

X-Ray Diffraction of Slag-Based Sodium Salt Waste Forms

Cementitious materials are used to solidify and stabilize aqueous based radioactive waste containing sodium salts. The types and proportions of cementitious ingredients used to treat aqueous radioactive waste streams containing sodium salts depend on the performance objectives for the waste forms and the compositions of the waste streams. Matrix phases can stabilize certain contaminants (co-precipitation, substitution, ion exchange, and / or sorption), influence processing properties, and are responsible for physical properties and durability of the cured waste forms. Consequently, characterization of the matrix (binder) mineralogy (chemical compositions and crystalline / non crystalline structures) is important for predicting contaminant leaching and evolution of the materials as a function of time and changing conditions This report documents sample preparation and x-ray diffraction results for a series of mixtures of sodium salt waste and cementitious binders. The objective of this study was to provide initial phase characterization for the CBP reference case cementitious salt waste form. This information can be used to: 1) generate a base line for the evolution of the waste form as a function of time and conditions, 2) potentially to design new binders based on mineralogy of the binder, 3) understand and predict anion and cation leaching behavior of contaminants of concern, and 4) predict performance of the waste forms for which phase solubility and thermodynamic data are available. Characterization of the mineralogy is also important for understanding the buffering effects that the waste form has on infiltrating water / leachates. More specifically, identification of hydrated phases capable of sequestering anions in the structures and crystallinity of the calcium silicate binder phases were of particular interest. The intent was to use this characterization data as a starting point for more detailed phase characterization using neutron diffraction techniques in addition to quasi-elastic neutron scattering techniques for characterization of water at the ORNL Spallation Neutron Source, Oak Ridge, TN. The initial characterization is complete. Due to extensive substitutions of cations and anions in the layered double hydroxide phases and the very fine intermixing of poorly crystalline hydrated phases in the reference case blend (10 : 45 : 45 cement : slag : fly ash), electron diffraction and transmission electron spectroscopy are recommended as the next step for characterization. In summary, the hydrated mixtures of Type II portland cement, Grade 100 ground granulated blast furnace slag (GGBFS) and carbon burn-out (CBO) Class F Fly ash contained hydrated phase assemblages which were typical of those reported in the literature. Based on x-ray diffraction results, no significant differences were detected in samples cured 2 months and 14 months in sealed containers at ambient indoor temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Strontium cobaltite oxygen sponge catalyst and methods of use

Rapid, reversible redox activity may be accomplished at significantly reduced temperatures, as low as about 200.degree. C., from epitaxially stabilized, oxygen vacancy ordered SrCoO.sub.2.5 and thermodynamically unfavorable perovskite SrCoO.sub.3-.delta.. The fast, low temperature redox activity in SrCoO.sub.3-.delta. may be attributed to a small Gibbs free energy difference between the two topotactic phases. Epitaxially stabilized thin films of strontium cobaltite provide a catalyst adapted to rapidly transition between oxidation states at substantially low temperatures. Methods of transitioning a strontium cobaltite catalyst from a first oxidation state to a second oxidation state are described.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Fluctuations and phase transitions in Larkin-Ovchinnikov liquid-crystal states of a population-imbalanced resonant Fermi gas

Motivated by a realization of imbalanced Feshbach-resonant atomic Fermi gases, we formulate a low-energy theory of the Fulde-Ferrell and the Larkin-Ovchinnikov (LO) states and use it to analyze fluctuations, stability, and phase transitions in these enigmatic finite momentum-paired superfluids. Focusing on the unidirectional LO pair-density-wave state, which spontaneously breaks the continuous rotational and translational symmetries, we show that it is characterized by two Goldstone modes, corresponding to a superfluid phase and a smectic phonon. Because of the liquid-crystalline ''softness'' of the latter, at finite temperature the three-dimensional state is characterized by a vanishing LO order parameter, quasi-Bragg peaks in the structure and momentum distribution functions, and a ''charge''-4, paired-Cooper-pairs, off-diagonal long-range order, with a superfluid-stiffness anisotropy that diverges near a transition into a nonsuperfluid state. In addition to conventional integer vortices and dislocations, the LO superfluid smectic exhibits composite half-integer vortex-dislocation defects. A proliferation of defects leads to a rich variety of descendant states, such as the charge-4 superfluid and Fermi-liquid nematics and topologically ordered nonsuperfluid states, that generically intervene between the LO state and the conventional superfluid and the polarized Fermi liquid at low and high imbalance, respectively. The fermionic sector of the LO gapless superconductor is also quite unique, exhibiting a Fermi surface of Bogoliubov quasiparticles associated with the Andreev band of states, localized on the array of the LO domain walls.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2016

Thermal Stability Testing of Two-Phase Thermal Control Hardware for the Surface Water Ocean Topography Mission

The thermal architecture for the Surface Water Ocean Topography mission utilizes loop heat pipes and constant conductance heat pipes to transport waste heat (> 1000 Watts) from the instrument electronics to the radiator. The main thermal design risk is the ability to maintain a temporal stability of <0.05 Celsius per minute in a low earth orbit environment. The stringent thermal requirements are part of the overall error budget needed to meet the primary mission science objectives. A testbed was developed to simulate flight-like loads and environments in order to validate the thermal subsystem can meet the temporal stability requirements. Preliminary testing showed that the thermal control system can meet the stability requirement and that loop heat pipes are actually helping to maintain stability during transient sink temperature changes for this specific flight application and boundary conditions.

Somawardhana, Ruwan P.↗
DOE OSTI2014

Electronic and magnetic properties of iron doped zirconia: Theory and experiment

We systematically investigated, both theoretically and experimentally, Zr{sub 1−x}Fe{sub x}O{sub 2−y} ranging from diluted (x ≈ 0.05) up to large (x ≈ 0.25) Fe concentration. By atomic layer deposition, we grew thin films of high-κ zirconia in cubic phase with Fe uniformly distributed in the film, as proven by time of flight secondary ion mass spectrometry and transmission electron microscopy measurements. Iron is in Fe{sup 3+} oxidation state suggesting the formation of oxygen vacancies with y concentration close to x/2. By ab-initio simulations, we studied the phase diagram relating the stability of monoclinic vs. tetragonal phase as a function of Fe doping and film thickness: the critical thickness at which the pure zirconia is stabilized in the tetragonal phase is estimated ranging from 2 to 6 nm according to film morphology. Preliminary results by X-ray magnetic circular dichroism and alternating gradient force magnetometry are discussed in comparison to ab initio data enlightening the role of oxygen vacancies in the magnetic properties of the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thickness and strain effects on the thermoelectric transport in nanostructured Bi{sub 2}Se{sub 3}

The structural stability, electronic structure, and thermal transport properties of one to six quintuple layers (QLs) of Bi{sub 2}Se{sub 3} are investigated by van der Waals density functional theory and semi-classical Boltzmann theory. The bandgap amounts to 0.41 eV for a single QL and reduces to 0.23 eV when the number of QLs increases to six. A single QL has a significantly higher thermoelectric figure of merit (0.27) than the bulk material (0.10), which can be further enhanced to 0.30 by introducing 2.5% compressive strain. Positive phonon frequencies under strain indicate that the structural stability is maintained.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Preparation, melting behavior and thermal stability of poly(lactic acid)/poly(propylene carbonate) blends processed by vane extruder

Poly (lactic acid) (PLA)/Poly (propylene carbonate) (PPC) blends were prepared by vane extruder which is a type of novel polymer processing extruder based on elongation force field. Scanning electron microscope (SEM), differential scanning calorimetry (DSC) and thermogravimetric (TG) were used respectively to analyze the compatibility, the melting behavior and thermal stability properties of PLA/PPC blends affected by the different content of PPC. The results showed that with the increase of the PPC content, the glass transition temperature of PLA was reduced, and the glass transition temperature of PPC was increased, which indicated that PLA and PPC had partial compatibility. The cold crystallization temperature of PLA increased with the increase of the PPC content, which showed that PPC hindered the cold crystallization process of PLA. The addition of PPC had little impact on the melting process of PLA, and the melting temperature of PLA was almost kept the same value. Thermogravimetric analysis showed that the thermal stability of PPC was worse than that of PLA, the addition of PPC reduced the thermal stability of PLA.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Melting phase diagram of bubble phases in high Landau levels

A low-disorder, two-dimensional electron system (2DES) subjected to a large perpendicular magnetic field and cooled to very low temperatures provides a rich platform for studies of many-body quantum phases. The magnetic field quenches the electrons' kinetic energy and quantizes the energy into a set of Landau levels, allowing the Coulomb interaction to dominate. In excited Landau levels, the fine interplay between short- and long-range interactions stabilizes bubble phases, Wigner crystals with more than one electron per unit cell. In this work, we present the screening properties of bubble phases, probed via a simple capacitance technique where the 2DES is placed between a top and a bottom gate and the electric field penetrating through the 2DES is measured. The bubbles formed at very low temperatures screen the electric field poorly as they are pinned by the residual disorder potential, allowing a large electric field to reach the top gate. As the temperature is increased, the penetrating electric field decreases and, surprisingly, exhibits a pronounced minimum at a temperature that appears to coincide with the melting temperature of the bubble phase. We deduce a quantitative phase diagram, as a function of Landau level filling factor (ν) and temperature, for the transition from the bubble to liquid phases for 4 ≤ ν ≤ 5.

2-dimensional systems↗
NASA NTRS1995

Evaporation of binary mixtures in microgravity

The motivation of this research is to obtain a better understanding of phase-change heat transfer within single and binary liquid meniscii, both in 1-g and 0-g environments. During phase 1 and part of phase 2, in a glass test cell with an inclined heated plate, 1-6 experiments on pentane with additions of decane up to 3% were conducted to determine the optimum concentration that will exhibit the maximum heat transfer and stability. During phase 2 emphasis was given to explore fundamental research issues and to ultimately develop a reliable capillary pumped loop (CPL) device for low gravity. In related experimental work, it was found that thermocapillary stresses near the contract line could result in a degraded wettability which ultimately could explain the observed failure of CPL devices in zero-gravity environment. Therefore, the current experimental effort investigates the effect of adding binary constituents in improving the thermocapillary characteristics near the contact line within the loop configuration. Achievements during second phase include: (1) Further enhancement of Central State University's Microgravity Laboratory by adding or improving upon capabilities of photography, video imaging, fluid visualization, and general experimental testing capabilities; (2) Experimental results for the inclined plate cell; (3) Modeling effort with a detailed scaling analysis; (4) Additional testing with a tube loop configuration to extend experimental work by Dickens, et al.; (5) Fabrication of a capillary loop to be tested using binary fluid (pentane/decane). The device that has been recently completed will be set up horizontally so that the effect of gravity on the performance is negligible. Testing will cover a wide range of parameters such as decane/pentane concentration, heat input value, heat input location (below or above meniscus), and loop temperature.

Girgis, Morris↗
DOE OSTI2016

Electron spin resonance insight into broadband absorption of the Cu{sub 3}Bi(SeO{sub 3}){sub 2}O{sub 2}Br metamagnet

Metamagnets, which exhibit a transition from a low-magnetization to a high-magnetization state induced by the applied magnetic field, have recently been highlighted as promising materials for controllable broadband absorption. Here we show results of a multifrequency electron spin resonance (ESR) investigation of the Cu{sub 3}Bi(SeO{sub 3}){sub 2}O{sub 2}Br planar metamagnet on the kagome lattice. Its mixed antiferromagnetic/ferromagnetic phase is stabilized in a finite range of applied fields around 0.8 T at low temperatures and is characterized by enhanced microwave absorption. The absorption signal is non-resonant and its boundaries correspond to two critical fields that determine the mixed phase. With decreasing temperature these increase like the sublattice magnetization of the antiferromagnetic phase and show no frequency dependence between 100 and 480 GHz. On the contrary, we find that the critical fields depend on the magnetic-field sweeping direction. In particular, the higher critical field, which corresponds to the transition from the mixed to the ferromagnetic phase, shows a pronounced hysteresis effect, while such a hysteresis is absent for the lower critical field. The observed hysteresis is enhanced at lower temperatures, which suggests that thermal fluctuations play an important role in destabilizing the highly absorbing mixed phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Significantly improved piezoelectric thermal stability of cellular polypropylene films by high pressure fluorination and post-treatments

Cellular polypropylene (PP) films were fluorinated under a high pressure of 13 bar of the F{sub 2}/N{sub 2} mixture and were post-treated by nitrous oxide and isothermal crystallization. The fluorinated and post-treated PP films after being expanded and corona charged exhibit a significantly improved piezoelectric thermal stability. After annealing at 70 deg. C for 151 h or at 90 deg. C for 224 h, the piezoelectric d{sub 33} value of the fluorinated and post-treated piezoelectric sample still retains 58% or 45% of its initial d{sub 33} value, while the corresponding value of the virgin piezoelectric sample has decreased to 29% or 15% of the initial value. Chemical composition analysis of the cross section of the fluorinated and post-treated film by energy-dispersive x-ray spectroscopy indicates that the internal layers have been fluorinated, in spite of a lower degree of fluorination compared with the fluorinated surface layer. Short-circuit and open-circuit TSD current measurements reveal that the fluorinated internal layers, like the fluorinated surface layer, also have very deep charge traps, although there probably is a difference in density of the deep traps between them. The deeply trapped charge on the internal layers of the fluorinated and post-treated piezoelectric sample is responsible for its significantly improved piezoelectric thermal stability.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Amphiphilic Polyphosphazene for Fluorocarbon Emulsion Stabilization

High internal phase emulsions (HIPEs) have been of great interest for fabricating fluorinated porous polymers having controlled pore structures and excellent physicochemical properties. However, it remains a challenge to prepare stable fluorocarbon HIPEs, due to the lack of suitable surfactants. By randomly grating hydrophilic and fluorophilic side chains to polyphosphazene (PPZ), a comb-like amphiphilic PPZ surfactant with biodegradability is designed and synthesized for stabilizing water/fluorocarbon oil-based emulsions. The hydrophilic–lipophilic balance of PPZs can be controlled by tuning the grating ratio of the two side chains, leading to the preparation of stable water-in-oil HIPEs and oil-in-water emulsions, and the production of fluorinated porous polymers and particles by polymerizing the oil phase. Finally, these fluorinated porous polymers show excellent thermal stability and, due to the hydrophobicity and porous structure, applications in the field of oil/water separation can be achieved.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Spin polarization in one dimensional ring with Rashba spin-orbit interaction

We investigate theoretically spin polarization in a square AB ring and in a circular AB ring with the Rashba spin-orbit interaction (RSOI) and the magnetic flux. It is shown that in the presence of both the RSOI and the perpendicular magnetic field, the AB rings can work as a spin polarizer, and the spin polarization transport can be modulated by the values of the system parameters. In addition, we find that the square ring is more suitable for a spin polarizer due to its higher stability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A comparison of neutral and charged species of one- and two-dimensional models of graphene nanoribbons using multireference theory

This study examines the dependence of the polyradical character of charged quasi-linear n-acenes and two-dimensional periacenes used as models for graphene nanoribbons in comparison to the corresponding neutral compounds. For this purpose, high-level ab initio calculations have been performed using the multireference averaged quadratic coupled cluster theory. Vertical ionization energies and electron affinities have been computed. Systematic tests show that the dependence on chain length of these quantities can be obtained from a consideration of the π system only and that remaining contributions coming from the σ orbitals or extended basis sets remain fairly constant. Using best estimate values, the experimental values for the ionization energy of the acene series can be reproduced within 0.1 eV and the experimental electron affinities within 0.4 V. The analysis of the natural orbital occupations and related unpaired electron densities shows that the ionic species exhibit a significant decrease in polyradical character and thus an increased chemical stability as compared to the neutral state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗