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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Gaseous Etching for Characterization of Structural Defects in Silicon Carbide Single Crystals

Single crystal SiC substrates were subjected to high-temperature H2/C3H8 gaseous etches. The etches resulted in a variety of surface features on 4H-SiC substrates that included elongated hillocks from 10 to more than 100 microns in length by a few microns in width. In some 4H- and 6H-SiC substrates, the etches resulted in a continuous coverage of macrosteps. We conclude that the morphology observed after the etching process is influenced by the local Si-C bilayer stacking sequence on the surface of off-(0001)oriented substrates. A model is presented for the formation of the hillocks, based on localized transformations of the 4H substrates during the high temperature etch process.

Powell, J. A.↗
DOE OSTI2010

Polymorphic single crystal {r_reversible} single crystal transition in K{sub 0.975}Rb{sub 0.025}NO{sub 3}

Polymorphic transformations in K{sub 0.975}Rb{sub 0.025}NO{sub 3} single crystals have been investigated by optical microscopy and X-ray diffraction. The equilibrium temperature between modifications II and III has been determined. It is established that the crystal growth at II {r_reversible} III polymorphic transitions is accompanied by the formation and growth of daughter-modification nuclei in the matrix crystal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Crystal Growth, Single Crystal Structure, and Biological Activity of Thiazolo-Pyridine Dicarboxylic Acid Derivatives

Four novel TPDCA derivatives were prepared via a supersaturation method combining TPDCA with water, N-methyl-2-pyrrolidone (NMP), Na(PO 2 H 2 ), and ammonia solution: 2(C 9 H 7 NO 5 S)H 2 O (1), (C 9 H 7 NO 5 S)C 5 H 9 NO (2), (C 9 H 7 NO 5 S)Na(PO 2 H 2 ) (3), and (C 9 H 5 NO 5 S)(NH 4 )2(H 2 O) (4). Their crystal structures were determined by single-crystal X-ray diffraction. Compounds (1) and (2) crystallize in the monoclinic space groups P2 1 and P2 1 /c, respectively, whereas compounds (3) and (4) crystallize in the triclinic space group P1 - . Weak and moderate hydrogen bonds were detected in the four compounds. In the biological tests, (1) and (3) exhibited significant antibacterial activity against Escherichia coli and Staphylococcus aureus; in addition, (1) was cytotoxic against leukemia HL-60 cells with the IC 50 value of 158.5 ± 12.5 μM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

2Flux growth and characterization of Ce-substituted Nd 2 Fe 14 B single crystals [Growth and Characterization of Ce- Substituted Nd 2 Fe 14 11 B Single Crystals]

Single crystals of (Nd 1-x Ce x ) 2 Fe 14 B, some reaching ~6×8×8mm 3 in volume, are grown out of Fe-(Nd, Ce) flux. This crystal growth method allows for large (Nd 1-x Ce x ) 2 Fe 14 B single crystals to be synthesized using a simple flux growth procedure. Chemical and structural analyses of the crystals indicate that (Nd 1-x Ce x ) 2 Fe 14 B forms a solid solution until at least x=0.38 with a Vegard-like variation of the lattice constants with x. Refinements of single crystal neutron diffraction data indicate that Ce has a slight site preference (7:3) for the 4g rare earth site over the 4f site. Magnetization measurements at 300 K show only small decreases with increasing Ce content in saturation magnetization (M s ) and anisotropy field (H A ), and Curie temperature (T C ). First principles calculations are carried out to understand the effect of Ce substitution on the electronic and magnetic properties. For a multitude of applications, it is expected that the advantage of incorporating lower-cost and more abundant Ce will outweigh the small adverse effects on magnetic properties. Ce-substituted Nd 2 Fe 14 B is therefore a potential high-performance permanent magnet material with substantially reduced Nd content.

Susner, Michael A.↗
DOE OSTI2014

Lattice distortion in single crystal rare-earth arsenide/GaAs nanocomposites

Epitaxial single crystal nanocomposites comprised of rare-earth arsenide nanoparticles embedded in GaAs (001) layers produce a larger change in lattice parameter than expected from the lattice parameters of relaxed films. Despite similar cubic structures and lattice parameters, elongation of the interfacial bond length between the two materials induces additional strain causing an expansion in the nanocomposite lattice. The interface bond length is material dependent with an average atomic layer spacing at the ErAs:GaAs interface of 1.9 Å while the spacing at the ScAs:GaAs interface is only 1.4 Å. Implications for lattice matching various single crystal epitaxial nanostructures in semiconductors are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Synthesis and Physical Properties of NbMnP Single Crystals

Single crystalline NbMnP was grown by the high-temperature solution growth technique and characterized by room temperature X-ray diffraction, temperature- and field-dependent magnetization, temperature-dependent resistivity, and heat capacity measurements. NbMnP is isostructural to TiNiSi with the space group of Pnma. Physical characterizations suggest that NbMnP is metallic and goes through an anti-ferromagnet transition at around 230 K with a weak magnetic anisotropy. A small ferromagnetic component is found to be perpendicular to [010].

Zhao, Jianda↗
DOE OSTI2011

Synthesis Crystal Structure and Magnetism of beta-Fe1.00(2)Se1.00(3) Single Crystals

Understanding iron-based superconductors requires high-quality impurity-free single crystals. So far they have been elusive for {beta}-FeSe and extraction of intrinsic materials properties has been compromised by several magnetic-impurity phases. Here, we report synchrotron-clean {beta}-FeSe superconducting single crystals grown via LiCl/CsCl flux method. Phase purity yields evidence for a defect-induced weak ferromagnetism that coexists with superconductivity below T{sub c}. In contrast to Fe{sub 1+y}Te-based superconductors, our results reveal that the interstitial Fe(2) site is not occupied and that all contribution to density of states at the Fermi level must come from in-plane Fe(1).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Time-dependent Protein-directed Growth of Gold Nanoparticles within a Single Crystal of Lysozyme

Gold nanoparticles are useful in biomedical applications due to their distinct optical properties and high chemical stability. Reports of the biogenic formation of gold colloids from gold complexes has also led to an increased level of interest in the biomineralization of gold. However, the mechanism responsible for biomolecule-directed gold nanoparticle formation remains unclear due to the lack of structural information about biological systems and the fast kinetics of biomimetic chemical systems in solution. Here we show that intact single crystals of lysozyme can be used to study the time-dependent, protein-directed growth of gold nanoparticles. The protein crystals slow down the growth of the gold nanoparticles, allowing detailed kinetic studies to be carried out, and permit a three-dimensional structural characterization that would be difficult to achieve in solution. Furthermore, we show that additional chemical species can be used to fine-tune the growth rate of the gold nanoparticles.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2011

Antiferromagnetism in Semiconducting KFe0.85Ag1.15Te2 Single Crystals

We have synthesized single crystals of K{sub 1.00(3)}Fe{sub 0.85(2)}Ag{sub 1.15(2)}Te{sub 2.0(1)}. The material crystallizes in the ThCr{sub 2}Si{sub 2} structure with I4/mmm symmetry and without K and Fe/Ag deficiencies, unlike in K{sub x}Fe{sub 2-y}Se{sub 2} and K{sub x}Fe{sub 2-y}S{sub 2}. Transport, magnetic, and heat-capacity measurements indicate that KFe{sub 0.85}Ag{sub 1.15}Te{sub 2} is a semiconductor with long-range antiferromagnetic transition at T{sub N} = 35 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Solid-state syntheses and single-crystal characterizations of three tetravalent thorium and uranium silicates

Colorless crystals of ThSiO{sub 4} (huttonite) (1) and (Ca{sub 0.5}Na{sub 0.5}){sub 2}NaThSi{sub 8}O{sub 20} (2) have been synthesized by the solid-state reactions of ThO{sub 2}, CaSiO{sub 3}, and Na{sub 2}WO{sub 4} at 1073 K. Green crystals of (Ca{sub 0.5}Na{sub 0.5}){sub 2}NaUSi{sub 8}O{sub 20} (3) have been synthesized by the solid-state reactions of UO{sub 2}, CaSiO{sub 3}, and Na{sub 2}WO{sub 4} at 1003 K. All three compounds have been characterized by single-crystal X-ray diffraction. Compound 1 adopts a monazite-type three-dimensional condensed structure, which is built from edge- and corner-shared ThO{sub 9} polyhedra and SiO{sub 4} tetrahedra. Compounds 2 and 3 are isostructural and they crystallize in a steacyite-type structure. The structure consists of discrete pseudocubic [Si{sub 8}O{sub 20}]{sup 8−} polyanions, which are connected by An{sup 4+} cations into a three-dimensional framework. Each An atom coordinates to eight monodentate [Si{sub 8}O{sub 20}]{sup 8−} moieties in a square antiprismatic geometry. Na{sup +} and Ca{sup 2+} ions reside in the void within the framework. Raman spectra of 1, 2, and 3 were collected on single crystal samples. 1 displays more complex vibrational bands than thorite. Raman spectra of 2 and 3 are analogous with most of vibrational bands located at almost the same regions. - Graphical abstract: A Raman spectrum and crystal structures of (Ca{sub 0.5}Na{sub 0.5}){sub 2}NaAnSi{sub 8}O{sub 20} (An=Th, U), which contain pseudocubic [Si{sub 8}O{sub 20}]{sup 8−} polyanions and eight-coordinate An{sup 4+} cations. - Highlights: • Single crystal growth of three tetravalent actinide silicates from melts. • Single-crystal structures and Raman spectra of (Ca{sub 0.5}Na{sub 0.5}){sub 2}NaAnSi{sub 8}O{sub 20} (An=Th, U). • First report of Raman spectrum of huttonite on single crystal samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Spin glass in semiconducting KFe 1.05 Ag 0.88 Te 2 single crystals

We report discovery of KFe 1.05 Ag 0.88 Te 2 single crystals with semiconducting spin glass ground state. Composition and structure analysis suggest nearly stoichiometric I4/mmm space group but allow for the existence of vacancies, absent in long range semiconducting antiferromagnet KFe 1.05 Ag 0.88 Te 2 . The subtle change in stoichometry in Fe/Ag sublattice changes magnetic ground state but not conductivity, giving further insight into the semiconducting gap mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Irradiation damage in Gd{sub 2}Ti{sub 2}O{sub 7} single crystals: Ballistic versus ionization processes

The structural transformations induced in Gd{sub 2}Ti{sub 2}O{sub 7} single crystals irradiated at high energies (870-MeV Xe), where ionization processes (electronic stopping) dominate, and at low energies (4-MeV Au), where ballistic processes (nuclear stopping) dominate, have been studied via the combination of Rutherford backscattering spectrometry and channeling (RBS/C), Raman spectroscopy, and transmission electron microscopy (TEM) experiments. At high energy, amorphization occurs directly in individual ion tracks from the extreme electronic-energy deposition, and full amorphization results from the overlapping of these tracks as described by a direct impact model. The track diameters lie in the range 6-9 nm. At low energy, amorphization occurs via indirect processes, driven by ballistic nuclear energy deposition from the ions, that is accounted for in the framework of both direct-impact/defect-stimulated and multi-step damage accumulation models. The ion fluence for total amorphization of the irradiated layer is much higher at low energy (0.5 ion nm{sup -2}) than at high energy (0.05 ion nm{sup -2}), consistent with the nuclear stopping at low energy (5.2 keV/nm) compared to the electronic stopping at high energy (29 keV/nm).

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effect of indium and antimony doping in SnS single crystals

Highlights: • Single crystals growth of pure SnS, indium doped SnS and antimony doped SnS by direct vapour transport (DVT) technique. • Doping of In and Sb occurred in SnS single crystals by cation replacement. • The replacement mechanism ascertained by EDAX, XRD and substantiated by Raman spectra analysis. • Dopants concentration affects the optical energy bandgap. • Doping influences electrical transport properties. - Abstract: Single crystals of pure SnS, indium (In) doped SnS and antimony (Sb) doped SnS were grown by direct vapour transport (DVT) technique. Two doping concentrations of 5% and 15% each were employed for both In and Sb dopants. Thus in total five samples were studied viz., pure SnS (S1), 5% In doped SnS (S2), 15% In doped SnS (S3), 5% Sb doped SnS (S4) and 15% Sb doped SnS (S5). The grown single crystal samples were characterized by evaluating their surface microstructure, stoichiometric composition, crystal structure, Raman spectroscopy, optical and electrical transport properties using appropriate techniques. The d.c. electrical resistivity and thermoelectric power variations with temperature showed semiconducting and p-type nature of the as-grown single crystal samples. The room temperature Hall Effect measurements further substantiated the semiconducting and p-type nature of the as-grown single crystal samples. The obtained results are deliberated in detail.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Pair distribution function-derived mechanism of a single-crystal to disordered to single-crystal transformation in a hemilabile metal-organic framework

Flexible metal-organic frameworks (MOFs) are materials of great current interest. A small class of MOFs show flexibility driven by reversible bonding rearrangements that lead directly to unusual properties. Cu-SIP-3 is a MOF based on the 5-sulfoisophthalate ligand, where the strong copper-carboxylate bonds ensure that the three-dimensional integrity of the structure is retained while allowing bonding changes to occur at the more weakly bonding sulfonate group leading to unusual properties such as the ultra-selective adsorption of only certain gases. While the integrity of the framework remains intact during bonding changes, crystalline order is not retained at all times during the transformations. X-Ray diffraction reveals that highly crystalline single crystals lose order during the transformation before regaining crystallinity once it is complete. Here we show how X-ray pair distribution function analysis can be used to reveal the mechanism of the transformations in Cu-SIP-3, identifying the sequence of atomic displacements that occur in the disordered phase. A similar approach reveals the underlying mechanism of Cu-SIP-3's ultra-selective gas adsorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Structural and optical properties of Cd{sup 2+} ion on the growth of sulphamic acid single crystals

Transparent single crystals of Cadmium doped Sulphamic acid (SA) was grown by Conventional slow evaporation solution technique (SEST) which had the size of 13 × 8 × 7 mm{sup 3}. The grown single crystals have been characterized using single crystal X-ray diffraction UV-visible Spectral studies and Second harmonic generation (SHG) efficiency and the results were discussed. The lattice parameters of the grown Cd{sup 2+} ion doped SA crystal are confirmed by single crystal X-ray diffraction and belong to orthorhombic system. Optical transmittance of the crystal was recorded using UV-vis NIR spectrophotometer with its lower cut off wavelength around 259nm. SHG measurements indicate that the SHG efficiency of the grown Cd{sup 2+} ion doped SA crystal at a fundamental wavelength of 1064 nm is approximately equal to KDP.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Method of making single crystal fibers

Single crystal fibers are made from miniature extruded ceramic feed rods. A decomposable binder is mixed with powders to inform a slurry which is extruded into a small rod which may be sintered, either in air or in vacuum, or it may be used in the extruded and dried condition. A pair of laser beams focuses onto the tip of the rod to melt it thereby forming a liquid portion. A single crystal seed fiber of the same material as the feed rod contacts this liquid portion to establish a zone of liquid material between the feed rod and the single crystal seed fiber. The feed rod and the single crystal feed fiber are moved at a predetermined speed to solidify the molten zone onto the seed fiber while simultaneously melting additional feed rod. In this manner a single crystal fiber is formed from the liquid portion.

Westfall, Leonard J.↗