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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 415 records · Page 23

Magnetic field-temperature phase diagram of the spin-$\frac{1}{2}$ triangular lattice antiferromagnet KYbSe 2

A quantum spin liquid (QSL) is a state of matter characterized by fractionalized quasiparticle excitations, quantum entanglement, and a lack of long-range magnetic order. However, QSLs have evaded definitive experimental observation. Several Yb 3+ -based triangular lattice antiferromagnets with effective 𝑆 = $\frac{1}{2}$ have been suggested to stabilize the QSL state as the ground state. Here, in this work, we build a comprehensive magnetic temperature phase diagram of a high-quality single crystalline KYbSe 2 via heat capacity and magnetocaloric effect down to 30 mK with magnetic field applied along the 𝑎 axis. At zero magnetic field, we observe the magnetic long-range order at 𝑇 N =0.29 K entering 120 degrees ordered state in heat capacity, consistent with neutron scattering studies. Analysis of the low-temperature (𝑇) specific heat (𝐶) at zero magnetic field indicates linear 𝑇 dependence of 𝐶/𝑇 and a broad hump of 𝐶/𝑇 in the proximate QSL region above 𝑇 N . By applying magnetic field, we observe the up-up-down phase with 1/3 magnetization plateau and oblique phases, in addition to two new phases. These observations strongly indicate that while KYbSe 2 closely exhibits characteristics resembling an ideal triangular lattice, deviations may exist, such as the effect of the next-nearest-neighbor exchange interaction, calling for careful consideration for spin Hamiltonian modeling. Further investigations into tuning parameters, such as chemical pressure, could potentially induce an intriguing QSL phase in the material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Inactive Overhang in Silicon Anodes

Li-ion batteries contain excess anode area to improve manufacturability and prevent Li plating. These overhang areas in graphite electrodes are active but experience decreased Li + flux during cycling. Over time, the overhang and the anode portions directly opposite to the cathode can exchange Li + , driven by differences in local electrical potential across the electrode, which artificially inflates or decreases the measured cell capacity. Here, we show that lithiation of the overhang is less likely to happen in silicon anodes paired with layered oxide cathodes. The large voltage hysteresis of silicon creates a lower driving force for Li + exchange as lithium ions transit into the overhang, rendering this exchange highly inefficient. For crystalline Si particles, Li + storage at the overhang is prohibitive, because the low potential required for the initial lithiation can act as thermodynamic barrier for this exchange. We use micro-Raman spectroscopy to demonstrate that crystalline Si particles at the overhang are never lithiated even after cell storage at 45 °C for four months. Because the anode overhang can affect the forecasting of cell life, cells using silicon anodes may require different methodologies for life estimation compared to those used for traditional graphite-based Li-ion batteries.

25 ENERGY STORAGE↗

Kinetics of HCP-BCC Phase Transition Boundary in Magnesium at High Pressure

Under high pressures, many crystalline metals undergo solid–solid phase transformations. In order to accurately model the behavior of materials under extreme loading conditions, it is essential to understand the kinetics of phase transition. Using molecular dynamics simulations, this work demonstrates the feasibility of characterizing the speeds of a moving phase boundary using atomistic simulations employing a suitable empirical potential for single-crystal magnesium. The model can provide temperature- and tensorial stress-dependent velocity of a moving phase boundary as a rate-limiting contribution to the kinetics of phase transformation in continuum codes. Results demonstrate that a nonlinear interaction exists between plasticity and phase transition, facilitating a jump in the velocity of a moving phase boundary, facilitated by activated plastic deformation mechanisms.

36 MATERIALS SCIENCE↗

Friction and wear behavior of glasses and ceramics

Adhesion, friction, and wear behavior of glasses and ionic solids are reviewed. These materials are shown to behave in a manner similar to other solids with respect to adhesion. Their friction characteristics are shown to be sensitive to environmental constituents and surface films. This sensitivity can be related to a reduction in adhesive bonding and the changes in surficial mechanical behavior associated with Rehbinder and Joffe effects. Both friction and wear properties of ionic crystalline solids are highly anisotropic. With metals in contact with ionic solids the fracture strength of the ionic solid and the shear strength in the metal and those properties that determine these will dictate which of the materials undergoes adhesive wear. The chemical activity of the metal plays an important role in the nature and strength of the adhesive interfacial bond that develops between the metal and a glass or ionic solid.

Buckley, D. H.↗

Friction and wear behavior of glasses and ceramics.

Adhesion, friction and wear behavior of glasses and ionic solids are reviewed. These materials are shown to behave in a manner similar to other solids with respect to adhesion. Their friction characteristics are shown to be sensitive to environmental constituents and surface films. This sensitivity can be related to a reduction in adhesive bonding and the changes in surficial mechanical behavior associated with Rehbinder and Joffe effects. Both friction and wear properties of ionic crystalline solids are highly anisotropic. With metals in contact with ionic solids, the fracture strength of the ionic solid, the shear strength in the metal, and those properties that determine these will dictate which of the materials undergoes adhesive wear.

Buckley, D. H.↗

Free-standing thin film Ge single crystals grown by plasma-enhanced chemical vapor deposition

The films, which are approximately 10 microns in thickness, are grown epitaxially on polished (100) NaCl substrates at 450 C by plasma enhanced chemical vapor deposition. Upon cooling, the films are separated from the substrate by differential shear stress, leaving free-standing films of Ge which can be handled. Growths are attained by nucleating at minimum plasma power for very brief intervals and then raising the power to 65 W to increase the growth rate to approximately 10 microns/h. It is found that substrate exposure to the plasma at too high a power for too long a time sputters and erodes the surface, thereby substantially degrading the nucleation process and the ultimate growths. It is noted that the free-standing films are visually specular and exhibit a high degree of crystalline order when examined by X-ray diffraction. Auger electron spectroscopy and energy dispersive analysis of X-rays reveal no detectable bulk contamination.

Outlaw, R. A.↗

Solvent-Resistant, Thermally Stable Poly(Carbonate-Imides)

New polymers and copolymers based on polyimide backbone with carbonate moieties exhibit high temperature capability. Because of carbonate unit, many of these materials also exhibit high order or crystallinity. All of new imidecontaining polymers insensitive to acetone. New poly (carbonate-imide) exhibits significantly increased temperature resistance and shows less sensitivity to solvents than commercial polycarbonates.

St. Clair, T. L.↗

Polymer precursors for SiC ceramic materials

Work on precursor polymers to SiC was performed, concentrating on polymers made from decamethyl cyclohexasilyene units. The initial approach was to synthesize mixed diphenyl decamethyl cyclohexasilane, dephenylate, and polymerize. This produced polymers which had yields of up to 50 percent SiC. (Theoretical yield is 75 percent). The present approach is to make the polymer through the intermediate trans-1,4-diphenyl decamethyl cyclohexasilane. This should produce a crystalline polymer and high strength fibers. These will be thermally decomposed to SiC fibers. This requires new chemistry which is currently being studied.

Litt, Morton H.↗

A compilation of information and data on the Manson impact structure

A problem for the impact hypothesis for the Cretaceous-Tertiary (K-T) mass extinction is the apparent absence of an identifiable impact site. The Manson Impact Structure is a candidate because it is the largest recognized in the U.S.; it is relatively close to the largest and most abundant shocked quartz grains found at the K-T boundary; and its age is indistinguishable from that of the K-T boundary based on paleontological evidence, fission track dates, and preliminary Ar-40/Ar-39 measurements. The region of northwest central Iowa containing the Manson Impact Structure is covered by Quaternary glacial deposits underlain by Phanerozoic sedimentary rocks (mostly flat-lying carbonates) and Proterozoic red clastic, metamorphic, volcanic, and plutonic rocks. In a circular area about 22 miles (35 km) in diameter around Manson, Iowa, this normal sequence is absent or disturbed and near the center of the disturbed area granitic basement rocks have been uplifted some 20,000 ft (6000m). Attention was drawn to Manson initially by the unusual quality of the groundwater there. Within the structure three roughly concentric zones of rock associations have been identified: (1) displaced strata; (2) completely disrupted strata, and igneous and metamorphic rocks. Manson was established as an impact structure based on its circular shape, its central uplift, and the presence of shocked quartz within the granitic central uplift. A gravity survey identified locations of low-density brecciated rocks and high-density uplifted crystalline rocks, but the outer boundary of the structure could not be established. Aeromagnetic and ground magnetic surveys showed locations and depths of shallowly buried crystalline rock and the locations of faults. A refraction seismic survey identified the crystalline central uplift, determined that the average elevation of bedrock is 70 ft (20 m) higher outside the structure than within, and was used to map the bedrock topography within the structure. A connection between the Manson impact and the K-T boundary may be established or refuted through study of the impact energy, the impact time, and composition of host rock, possible impactors, and impact melts.

Hartung, Jack B.↗

Crystal growth of CdTe in space and thermal field effects on mass flux and morphology

The primary, long-range goals are the development of vapor phase crystal growth experiments, and the growth of technologically useful crystals in space. The necessary ground-based studies include measurements of the effects of temperature variations on the mass flux and crystal morphology in vapor-solid growth processes. For in-situ mass flux measurements dynamic microbalance techniques will be employed. Crystal growth procedures and equipment will be developed to be compatible with microgravity conditions and flight requirements. Emphasis was placed on the further development of crystal growth and the investigation of relevant transport properties of CdTe. The dependence of the mass flux on source temperature was experimentally established. The CdTe synthesis and pretreatment procedures are being developed that yield considerable improvements in mass transport rates, and mass fluxes which are independent of the amount of source material. A higher degree of stoichiometric control of CdTe than before was achieved during this period of investigation. Based on this, a CdTe crystal growth experiment, employing physical vapor transport, yielded very promising results. Optical microscopy and X-ray diffraction studies revealed that the boule contained several large sized crystal grains of a high degree of crystallinity. Further characterization studies of CdTe crystals are in progress. The reaction chamber, furnace dimensions, and ampoule location of the dynamic microbalance system were modified in order to minimize radiation effects on the balance performance.

Wiedemeier, H.↗

Carbon-rich aggregates in type 3 ordinary chondrites - Characterization, origins, and thermal history

Carbon-rich aggregates from three type 3.4-3.6 ordinary chondrites and two chondritic clasts have been characterized in detail, using TEM techniques. The aggregates in all the meteorites studied range in size from 5-1000 microns and consist of a fine scale intergrowth of poorly graphitized carbon, amorphous carbon, Fe,Ni metal, and minor chromite. Contrary to previous reports, well-crystallized graphite and magnetite are absent. The association of Fe,Ni metal and carbonaceous material suggests that the original carbonaceous material may have formed by Fischer-Tropsch (FT) type reactions at low temperatures (less than 400 K), possibly in the solar nebula. This carbonaceous material probably consisted of a complex mixture of hydrocarbons, kerogen-like material, and other complex organic molecules. The aggregates were subsequently accreted onto the ordinary chondrite parent bodies and underwent planetary thermal processing which resulted in the catalytic graphitization of hydrocarbons, in the presence of Fe,Ni metal, to produce poorly graphitized carbon. None of the meteorites studied experienced temperatures sufficiently high to produce crystalline, ordered graphite. Using the empirical geothermometer of Rietmeijer and Mackinnon (1985), the measured d(002) spacings of poorly graphitized carbon show that graphitization occurred at temperatures between 300 and 450 C. This range of temperatures is significantly lower than the generally quoted metamorphic temperatures for type 3.4-3.6 ordinary chondrites (about 450-500 C).

Brearley, Adrian J.↗

Three-Dimensional Polybenzobisoxazoles and Polybenzobisthiazoles

Due to the poor compressive strength properties of high performance liquid crystalline polymers such as polybenzobisoxazoles (PBOs) and polybenzobisthiazoles (PBTs), we have prepared homopolymers and copolymers with PBO and PBT pendant groups on a central star-like unit, 2.7-diamino-9,9'-bis(4-aminophenyl)fluorene, in order to improve upon their compressive strength properties. The fluorene moiety was prepared by the reaction of 2,7-dinitro-9-fluorene with aniline and aniline hydrochloride, followed by reduction with palladium on carbon. The central star-like unit was characterized by FTIR, FTNMR, and elemental analysis. The PBO and PBT pendant groups were synthesized by the polycondensation of 4,6-diaminoresorcinol dihydrochloride with terephthaloyl chloride and 2,5-diamino-1,4-benzendithiol dihydrochloride with terephthaloyl chloride in poly(phosphoric acid), respectively. The resulting linear polymers containing the dicarboxylic end groups were attached to the central star-like unit by refluxing with 2,7-diamino-9,9'-bis(4-aminophenyl) fluorene to give the star-like polymers. The star-like PBO and PBT were soluble in methanesulfonic acid. Further characterization of the polymers is ongoing.

Bray, M.↗

Fabrication and Characterization of Thin Film Ion Implanted Composite Materials for Integrated Nonlinear Optical Devices

Ion implantation has been shown to produce a high density of metal colloids within the layer regions of glasses and crystalline materials. The high-precipitate volume fraction and small size of metal nanoclusters formed leads to values for the third-order susceptibility much greater than those for metal doped solids. This has stimulated interest in use of ion implantation to make nonlinear optical materials. On the other side, LiNbO3 has proved to be a good material for optical waveguides produced by MeV ion implantation. Light confinement in these waveguides is produced by refractive index step difference between the implanted region and the bulk material. Implantation of LiNbO3 with MeV metal ions can therefore result into nonlinear optical waveguide structures with great potential in a variety of device applications. We describe linear and nonlinear optical properties of a waveguide structure in LiNbO3-based composite material produced by silver ion implantation in connection with mechanisms of its formation.

Sarkisov, S.↗

Ground Based Experiments in Support of Microgravity Research Results-Vapor Growth of Organic Nonlinear Optical Thin Film

This work is specifically focused on explaining previous results obtained for the crystal growth of an organic material in a reduced gravity environment. On STS-59, in April 1994, two experiments were conducted with N,N-dimethyl-p-(2,2-dicyanovinyl) aniline (DCVA), a promising nonlinear optical (NLO) material. The space experiments were set to reproduce laboratory experiments that yielded small, bulk crystals of DCVA. The results of the flight experiment, however, were surprising. Rather than producing a bulk single crystal, the result was the production of two high quality, single crystalline thin films. This result was even more intriguing when it is considered that thin films are more desirable for NLO applications than are bulk single crystals. Repeated attempts on the ground to reproduce these results were fruitless. A second set of flight experiments was conducted on STS-69 in September 1995. This time eight DCVA experiments were flown, with each of seven experiments containing a slight change from the first reference experiment. The reference experiment was programmed with growth conditions identical to those of the STS-59 mission. The slight variations in each of the other seven were an attempt to understand what particular parameter was responsible for the preference of thin film growth over bulk crystal growth in microgravity. Once again the results were surprising. In all eight cases thin films were grown again, albeit with varying quality. So now we were faced with a phenomenon that not only takes place in microgravity, but also is very robust, resisting all attempts to force the growth of bulk single crystals.

Zugrav, M. Ittu↗

Risk of Adverse Health and Performance Effects of Celestial Dust Exposure

Crew members can be directly exposed to celestial dust in several ways. After crew members perform extravehicular activities (EVAs), they may introduce into the habitat dust that will have collected on spacesuits and boots. Cleaning of the suits between EVAs and changing of the Environmental Control Life Support System filters are other operations that could result in direct exposure to celestial dusts. In addition, if the spacesuits used in exploration missions abrade the skin, as current EVA suits have, then contact with these wounds would provide a source of exposure. Further, if celestial dusts gain access to a suit's interior, as was the case during the Apollo missions, the dust could serve as an additional source of abrasions or enhance suit-induced injuries. When a crew leaves the surface of a celestial body and returns to microgravity, the dust that is introduced into the return vehicle will "float," thus increasing the opportunity for ocular and respiratory injury. Because the features of the respirable fraction of lunar dusts indicate they could be toxic to humans, NASA conducted several studies utilizing lunar dust simulants and authentic lunar dust to determine the unique properties of lunar dust that affect physiology, assess the dermal and ocular irritancy of the dust, and establish a permissible exposure limit for episodic exposure to airborne lunar dust during missions that would involve no more than 6 months stay on the lunar surface. Studies, with authentic lunar soils from both highland (Apollo 16) and mare (Apollo17) regions demonstrated that the lunar soil is highly abrasive to a high fidelity model of human skin. Studies of lunar dust returned during the Apollo 14 mission from an area of the moon in which the soils were comprised of mineral constituents from both major geological regions (highlands and mares regions) demonstrated only minimal ocular irritancy, and pulmonary toxicity that was less than the highly toxic terrestrial crystalline silica (Permissible Exposure Limit [PEL] 0.05 mg/m3) but more toxic than the nuisance dust titanium dioxide (TiO2 [PEL 5.0 mg/m3]). A PEL for episodic exposure to airborne lunar dust during a six-month stay on the lunar surface was established, in consultation with an independent, extramural panel of expert pulmonary toxicologists, at 0.3 mg/m3. The PEL provided for lunar dust is limited to the conditions and exposure specified therefore additional research remains to be accomplished with lunar dust to further address the issues of activation, address other areas of more unique lunar geology (Glotch et al., 2010; Greenhagen et al., 2010), examine potential toxicological effects of inhaled or ingested dust upon other organ systems, such cardiovascular, nervous systems, and examine effects of acute exposure to massive doses of dust such as may occur during off-nominal situations. Work to support the establishment of PELs for Martian dust and dusts of asteroids remains to be accomplished. The literature that describes health effects of exposure to toxic terrestrial dusts provides substantial basis for concern that prolonged exposure to respirable celestial dust could be detrimental to human health. Celestial bodies where a substantial portion of the dust is in the respirable range or where the dusts have large reactive surface areas or contain transition metals or volatile organics, represent greater risks of adverse effects from exposure to the dust. It is possible that in addition to adverse effects to the respiratory system, inhalation and ingestion of celestial dusts could pose risks to other systems

Scully, Robert R.↗

Ordered hexagonal columnar liquid crystalline self-assembly of mesogen-free sulfonylated side-chain chiral polyethers and their high dielectric property

To achieve large spontaneous polarization for ferroelectric liquid crystalline polymers, we have designed a series of mesogen-free isotactic polyethers with sulfonylated side chains. Different from prior studies using linear alkyl side chains, in this work a methyl branch was implemented in the alkyl side chains of the chiral polyethers. As a result of the continuous twist from the methyl branches and strong dipole-dipole interactions among neighboring sulfonyl groups, a helical chain conformation with tilted side chains was achieved. When the branched side chains were short (e.g., C5) and double chirality existed in both the main chain and side chains, a crystalline structure was obtained. When the branched side chains were long (e.g., ≥ C8) and single chirality existed in the main chain, an ordered hexagonal columnar liquid crystalline phase was induced. Their high-field dielectric property was studied by electric displacement-electric field (D-E) loop tests; however, no ferroelectric behavior was observed up to 200 MV/m. It was considered that the dipole-dipole interaction among neighboring sulfonyl groups in the helical chains was too strong to allow easy ferroelectric flipping.

36 MATERIALS SCIENCE↗