Materials Literature
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Molecular dynamics simulations show significant differences in the deformation mechanisms of nanocrystalline nickel with low- and high-angle boundaries. For the case studied with average grain size of 12 nm, low-angle boundaries present enhanced dislocation activity and reduced strength with respect to high-angle boun…
Phase diagrams of mixtures of colloidal hard spheres with hard discs are calculated by means of the free-volume theory. The free-volume fraction available to the discs is determined from scaled-particle theory. The calculations show that depletion induced phase separation should occur at low disc concentrations in sys…
In order to fabricate an electronic device, we have optimized growth conditions of VO2 films on amorphous SiO2/Si structure substrates by pulsed laser deposition. The phase of VO2 films observed consisted of multiphases such as VO2, V2O5, and V2O3. The correlation between phase changes and growth conditions of VO2 fil…
Improved sets of empirical interatomic potentials for silicon-fluorine and silicon-chlorine are presented. The Tersoff-Brenner potential form has been reparameterized using the density-functional theory (DFT) cluster calculations of Walch. Halogenated silicon cluster energetics computed with DFT are, on average, withi…
Anisotropic in-plane strain can be induced in (Pb,Sr)TiO3 (PST) thin film by using orthorhombic NdGaO3 (110) as a substrate. High-resolution x-ray diffraction was used to measure the strain of the PST thin film. A rocking curve with full width at half maximum of ∼0.04° illustrated that the film had nearly perfect sing…
Theoretical study of the optical diffraction properties of holographic polymer-dispersed liquid crystal (HPDLC)-based thick volume grating was presented. It is found that the HPDLC grating can selectively diffract the s-polarized light only, p-polarized light only, or both s and p beams by selecting suitable grating p…
Structure and magnetostriction of Dy0.7−xTbxPr0.3(Fe0.9B0.1)1.93 (0⩽x⩽0.70) alloys have been studied. The easy magnetization direction of the Laves phase in the Dy0.7−xTbxPr0.3(Fe0.9B0.1)1.93 alloys with 0⩽x<0.20 lies along 〈100〉 axis, while that of the Laves phase in those alloys with 0.25⩽x⩽0.70 lies along 〈1…
The switching kinetics in fatigued polycrystalline bulk ferroelectrics do not exhibit relaxation with a singular time constant but rather stretched exponential behavior. Several microscopic mechanisms are discussed to explain this effect for a polycrystalline material. Some of the mechanisms may apply equally well to…
Pt /( Ba 0.7 Sr 0.3 ) TiO 3 (BST)/YBa2Cu3O7−x capacitors were prepared and investigated for the dead-layer (DL) thickness (td) and the DL dielectric constant (εd). Based on the series capacitor model, the td/εd ratio of 0.066 nm and the bulk BST ferroelectric-layer dielectric constant of 1370 were obtained through the…
Reactions of free silver anions Agn- (n = 1 - 13) with O2, CO, and their mixtures are investigated in a temperature controlled radio frequency ion trap setup. Cluster anions Agn- (n = 1 - 11) readily react with molecular oxygen to yield AgnOm- (m = 2, 4, or 6) oxide products. In contrast, no reaction of the silver clu…
A novel lambda-integration path is proposed for calculating the Gibbs free energy difference between any arbitrary solid and liquid state needed for the location of melting lines. This technique involves reversibly forcing a liquid state to a solid state across the phase transition along a nonphysical path, thermodyna…
ZnO nanorods were synthesized on sapphire (112̄0) substrates by metalorganic vapor deposition. The rods exhibited better crystalline and optical properties than those of ZnO rods formed on sapphire (0001) substrates. The emission due to biexcitons is persistent up to ∼200 K, indicating potential for applications in bi…
A detailed theory of nonisothermal electron transport perpendicular to multilayer superlattice structures is presented. The current–voltage (I–V) characteristics and the cooling power density are calculated using Fermi–Dirac statistics, density-of-states for a finite quantum well and the quantum mechanical reflection…
In this letter we report on the low-temperature specific heat of several M2AX phases: Ti2AlC, V2AlC, V2AsC, Nb2SnC, Ti2AlN, Hf2InC, Nb2AlC, and Cr2AlC. The Debye temperatures are quite high. The density of states at the Fermi level, N(EF) varies from ≈1.4 (eV formula unit)−1 to 6 (eV formula unit)−1. Ab initio calcula…
Al 2 O 3 doped Ba0.5Sr0.5TiO3 (BST) thin films, with different Al2O3 contents, were deposited on (100) LaAlO3 substrates by the pulsed laser deposition technique to develop agile thin films for tunable microwave device applications. The dielectric properties of Al2O3 doped BST films were determined with a nondestructi…
The dielectric properties of Ba0.8Sr0.2TiO3 ceramics doped with Mg from 0.5 to 10 mol % have been investigated systematically. Two effects of Mg doping on the dielectric properties of the Ba0.8Sr0.2TiO3 ceramics have been observed. At low Mg doping concentrations (<2 mol %), Mg mainly acts as an acceptor dopant…
The temperature dependence of the effective transverse piezoelectric coefficient (e31,f) in lead zirconate titanate (PZT) thin films was measured between −55 and 85 °C. e31,f was calculated by simultaneously monitoring the piezoelectric charge output and strain in the film during wafer flexure. This method was used to…
Magnetomechanical experiments were performed with a ferromagnetic Ni–Mn–Ga single crystal consisting of thermoelastic orthorhombic martensitic phase at room temperature. The crystal was deformed in uniaxial compression along 〈100〉 with an orthogonal magnetic field and without a magnetic field. The sample deforms due t…
Crystallization of amorphous Ge2Sb2Te5 films (10, 40, and 70 nm thick) was studied by in situ heating in a transmission electron microscope (TEM). Electron irradiation-induced crystallization is possible at room temperature using a 400 kV electron beam where the reciprocal of the incubation time for crystallization sc…
Hard-particle packings have provided a rich source of outstanding theoretical problems and served as useful starting points to model the structure of granular media, liquids, living cells, glasses, and random media. The nature of “jammed” hard-particle packings is a current subject of keen interest. Elsewhere, we intr…