Materials Literature
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The XYZ half-Heusler crystal structure can conveniently be described as a tetrahedral zinc blende YZ structure which is stuffed by a slightly ionic X species. This description is well suited to understanding the electronic structure of semiconducting 8-electron compounds such as LiAlSi (formulated Li + [AlSi] − ) or s…
We report measurements of the non-resonant inelastic x-ray scattering (NRIXS) from the O 1s orbitals in ice Ih, and also report calculations of the corresponding spectra for ice Ih and several other phases of water ice. We find that the intermediate-energy fine structure may be calculated well using an ab initio real-…
The inversion of a spin valve device is proposed. Opposite to a conventional spin valve of a non-magnetic spacer sandwiched between two ferromagnetic metals, an inverse spin valve is a ferromagnet sandwiched between two non-magnetic metals. It is predicted that, under a bias, the chemical potentials of spin-up and spi…
The ability of metal adsorption to transfer charge to the surface of single molecular carbon sheets is explored in this paper. Though other metals are considered we basically will deal with Lithium We concentrate on fairly small sheets and examined the minimum threshold size of a molecular surface needed to separate m…
Uniformly sized silica-coated magnetic nanoparticles (magnetite@silica) are synthesized in a simple one-pot process using reverse micelles as nanoreactors. The core diameter of the magnetic nanoparticles is easily controlled by adjusting the w value ([polar solvent]/[surfactant]) in the reverse-micelle solution, and t…
A vertical-type Schottky photodetector based on a (100)-oriented β-Ga 2 O 3 substrate has been fabricated with simple processes of thermal annealing and vacuum evaporation. The photodetector exhibited a rectification ratio higher than 10 6 at ±3 V, and showed deep-ultraviolet-light detection at reverse bias. The spect…
A new type of nanocellulosic material has been prepared by high-pressure homogenization of carboxymethylated cellulose fibers followed by ultrasonication and centrifugation. This material had a cylindrical cross-section as shown by transmission electron microscopy with a diameter of 5-15 nm and a length of up to 1 mic…
Although density functional theory is widely used in the computational chemistry community, the most popular density functional, B3LYP, has some serious shortcomings: (i) it is better for main-group chemistry than for transition metals; (ii) it systematically underestimates reaction barrier heights; (iii) it is inaccu…
Electronic properties of the π–d system β-(EDT-DSDTFVSDS) 2 FeBr 4 are investigated, where EDT-DSDTFVSDS = ethylenedithiodiselenadithiafulvalenothioquinone-1,3-diselenolemethide. Clear contrast between the FeBr 4 salt and the nonmagnetic anion analogue salt, β-(EDT-DSDTFVSDS) 2 GaBr 4 , was observed in the electrical…
[24]hexaphyrin(1.0.1.0.0.0) was electrochemically synthesized in good yield starting from a linear hexapyrrolic precursor. This straightforward approach provides an efficient "green" alternative to the reported chemical synthesis, which requires the use of trifluoroacetic acid as the solvent and toxic chromium(VI) sal…
The objective of this paper is to quantify the damage caused by a missile impacting aircraft structures, using computational simulations. A three-step approach was taken. The first step was to investigate the effects of a simple body-on-body impact on the aircraft's wing structure. The second step was to simulate the…
The gouging impact phenomenon which occurs at the Holloman Air Force Base High-Speed Test Track during hypervelocity impact testing is examined further. The material constitutive models for VascoMax 300 and 1080 steel are refined, and extended into the high-strain-rate regime, using results from flyer plate impact exp…
Abstract By controlling the reactant proportion, three sodium‐centered polynuclear octahedral copper(II)–amino acid clusters, [Na⊂{Cu 6 (Ala) 8 (H 2 O)(ClO 4 )}] · 4ClO 4 · 4H 2 O ( 1 ), Na[Na⊂{Cu 6 (Ala) 8 (ClO 4 )}] 2 · 9ClO 4 · 8H 2 O ( 2 ), and [Na⊂{Cu 5 (Ala) 6 (H 2 O) 3 }] n · 5 n (ClO 4 ) · 3 n (H 2 O) ( 3 ) (A…
The spectroscopic and photophysical properties of zeolite-Y-entrapped [Ru(bpy)3]2+ co-doped with either [Fe(bpy)3]2+ or [Fe(tpy)2]2+ over a range of iron complex loadings are presented. In solution, [Ru(bpy)3]2+ undergoes efficient bimolecular energy transfer to [Fe(bpy)3]2+, whereas only radiative or trivial energy t…
DOI: 10.2514/1.26011 The effective use of existing finite element codes in the direct simulation of hypervelocity impacts by projectiles is limited by the dependence of the size of localized failure regions on the mesh size and alignment. This gives rise to a nonphysical description of the penetration and perforation…
ZnO film was grown on a heavily phosphor-doped n+-Si substrate by metal–organic chemical vapor deposition technology. X-ray photoelectron spectroscopy measurements indicate that a two-layer structure, comprised of a phosphor-doped ZnO layer and an un-doped ZnO layer, was formed during the diffusion process of phosphor…
The thermal conductivity $\ensuremath{\kappa}(T)$ of the crystalline and glassy phases of the two isomers of propyl alcohol has been measured. The two isomers differ by a minor chemical detail involving the position of the hydroxyl group with respect to the carbon backbone. Such a difference in molecular structure lea…
Samples of the anatase phase of titania were treated under vacuum to create Ti(3+) surface-defect sites and surface O(-) and O(2) (-) species (indicated by electron paramagnetic resonance (EPR) spectra), accompanied by the disappearance of bridging surface OH groups and the formation of terminal Ti(3+)-OH groups (indi…
Abstract Al‐doped La 9.33+ x /3+ y Si 6– x Al x O 26+3 y /2 ( x = 0–1.5, y = 0–0.67) apatite‐type lanthanum silicates (ATLS) were synthesized with a high‐power (1200 rpm) planetary ball mill that allows the formation of the lanthanum silicate phase after milling for 20–35 min at room temperature. The apatite phase alr…
We investigate analytically the anchoring of a nematic liquid crystal on a two-dimensionally grooved surface of arbitrary shape, induced by the elastic distortions of a liquid crystal adjacent to the surface. Our theoretical framework applied to a surface with square grooves reveals that such a surface can exhibit bis…