Materials Literature
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Surface divacancy at MgO(100) and its reactivity with water are studied by first-principles simulations. Among the most frequent point defects at MgO(100), the divacancy is estimated to be stable with respect to the formation of neutral oxygen and magnesium vacancies in moderate O environments. A single water molecule…
The structural properties and lattice instabilities of perovskites in the $(\mathrm{T}\mathrm{h},\mathrm{P}\mathrm{b},\mathrm{B}\mathrm{i},\mathrm{Y}){\mathrm{ScO}}_{3}$ system are investigated by first-principles density-functional calculations with the linearized augmented plane-wave method. In all cases, Th is foun…
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The relationship between the number-average sequence length and the melting temperature of the block copolyesters prepared by quench after the transesterification reaction between poly(ethylene terephthalate) and poly(butylene terephthalate) was reported. The number-average sequence length was determined by the triad…
Electronic structures and stability of substitutional Ti3+ clusters in Al2O3 were investigated by first-principles pseudopotential calculations using large supercells. It was found that a substitutional Ti3+ defect induces an extra defect level in the band gap, and the defect levels have strong bonding interactions in…
To develop a high-performance pyroelectric infrared detector, large-size and high-quality 0.2 mol % Fe-doped Pb(Mg1/3Nb2/3)O3-0.38PbTiO3 single crystals have been grown by a modified Bridgman technique with a seed crystal. At 50 Hz, the doped single crystal showed a lower dielectric constant of 310 compared with the p…
Clay dispersion affects both soil productivity and environmental quality through its effect on structure degradation. The effect of solution concentration (C), sodium adsorption ratio (SAR), and mechanical disturbance on clay dispersion, particle size of dispersed clay and critical flocculation concentration (CFC) was…
First-principles electronic structure calculations and angle-scanned x-ray photoelectron diffraction experiments reveal the geometrical structure of the Mg(0001) surface upon oxidation. In contrast to previous studies of Mg(0001) oxidation and unlike the case of aluminum oxidation we determine a surface oxide structur…
The optical properties of near-infrared-emitting mercury telluride (HgTe) nanocrystals are investigated using fluorescence confocal microscopy. The HgTe quantum dots were coated with a “layer-by-layer” process on latex spheres with diameters down to 150 nm and number of layers varying from 1 to 3. The individual spher…
A TiC–diamond composite was prepared for the heater of a large-volume belt type high-pressure apparatus. Graphite has conventionally been used for the heater in high-pressure studies, but it cannot be used at pressure higher than 10 GPa and above 1500 °C because of the problem associated with the graphite-to-diamond p…
Based on a force constant model, we have calculated the phonon spectrum and specific heat of single-walled boron nitride nanotubes. Compared with carbon nanotubes, boron nitride nanotubes have a larger specific heat. The fitting formulas for diameter and chirality dependence of specific heat at 300 K are given.
Abstract Novel patternable, light‐reflecting multilayer polymer films are presented. The investigated elements comprise 1024 nanolayers of two different, transparent polymers in strictly alternating fashion. Polymers with different refractive indices were employed and the individual layer thickness was controlled betw…
Magnetic shape memory (MSM) materials can generate up to 10% strain when exposed to a magnetic field. The magnetization of the MSM material is closely related to its strain level. Modeling this relationship is of prime importance, especially in sensor and motion generation applications. In the present work, the magnet…
NiTi shape memory thin films are potentially desirable for MEMS actuators. Traditionally, there are two approaches to obtain NiTi shape memory thin films. One is to anneal amorphous NiTi films in a vacuum chamber and the other is to deposit NiTi on a high temperature substrate (about 500 °C). Both approaches have diff…
ADVERTISEMENT RETURN TO ISSUECommunicationNEXTGeneration of Stable Calamitic Liquid-Crystal Phases with Lateral Intermolecular Hydrogen BondingTakashi Kajitani, Shigeo Kohmoto, Makoto Yamamoto, and Keiki KishikawaView Author Information Quality Materials Science, Graduate School of Science and Technology, Chiba Univer…
The sol−gel process has proven to be a convenient route to produce inorganic oxide materials with various shapes. We report here the use of this technique to prepare for the first time to our knowledge high-quality powders and spray-coated films of LiYF 4 . Powdered samples were structurally as well as morphologically…
A detailed analysis of radiation-damage-induced structural and intensity changes is presented on the model protein thaumatin. Changes in reflection intensities induced by irradiation display a parabolic character. The most pronounced structural changes observed were disulfide-bond breakage and associated main-chain an…
A novel framework K(2)Ag(6)Sn(3)S(10) was synthesized solvothermally and characterized by single-crystal diffraction. The framework comprises [Ag(6)SnS(4)](2+) cationic layers pillared by [SnS(3)](2)(-) zigzag chains formed by vertex-sharing SnS(4) tetrahedra, and potassium ions are located in 1D channels. This compou…
A new method of computing grain boundary energies for arbitrary misorientation and inclination angles has been proposed, based on an atomistic approach (molecular statics) using a semi-empirical atomic potential (2NN MEAM). The procedure was applied to computation of the [ 110] symmetric tilt boundary energy of pure A…
ZnS quantum dots are synthesized by a high-temperature chemical route with narrow size distribution at diameters of 1.4 and 1.8 nm. Significantly small size dispersion of 1.4-nm-sized ZnS quantum dots is vivid from the transmission electron microscopic measurements. The nonlinear absorption is measured at wavelengths…