Materials Literature
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The first polyoxomolybdenum carbonate has been synthesized and its single crystal structure as well as its IR, UV-vis and 13C NMR spectra have been determined.
We develop a replica generalization of the reference interaction site model (replica RISM) integral equation theory to describe the structure and thermodynamics of quenched-annealed systems comprising polar molecular species. It provides a successful approach to realistic models of molecular liquids, and properly allo…
It is shown that the direct precursor for the formation of a photochrome in Schiff bases is a “twisted” geometry S1 state of a keto tautomer in which the O⋯N–H hydrogen bond is broken. In photochromic Schiff bases this state is close in energy to the ππ* state of the cis-ketone obtained from the initially optically ex…
Simulations are presented for microlens arrays prepared via photopolymerization-induced phase separation in liquid crystal/monomer mixtures based on four-wave mixing, viz., interference of two horizontal waves and two vertical waves. The microlens forming process has been simulated on the basis of a pattern-photopolym…
We study static packings of frictionless and frictional spheres in three dimensions, obtained via molecular dynamics simulations, in which we vary particle hardness, friction coefficient, and coefficient of restitution. Although frictionless packings of hard-spheres are always isostatic (with six contacts) regardless…
Egg capsule material serves as a putative protection mechanism for developing snail embryos facing the perils of the marine environment. We conducted the first quantitative study of this acellular structural protein with the goals of characterizing its chemical and mechanical properties and the relationship of these p…
We present molecular dynamics simulations of lithium silicate melts (Li2O)x(SiO2)1−x with Li2O concentrations x = 0.01, x = 0.1 and x = 0.5 in equilibrium conditions for temperatures down to 1500 K. The partial pair correlation functions are determined and compared with recent experimental data. The dynamics of the in…
Highly dispersed chromate species on silica catalyse the selective epoxidation of propene to propene oxide (PO) by molecular oxygen under visible light irradiation with the same quantum yield as that under UV light irradiation.
The segment density profile of anchored layers of poly(dimethylsiloxane) in good solvents has been measured using neutron reflectometry. Two types of layers have been studied: end-grafted layers (brushes) and irreversibly adsorbed layers, on silicon/silicon dioxide. The latter can be viewed as a polydisperse brush of…
The monolayer dispersion of tungsten oxide on the surface of anatase has been studied by BET surface area measurements, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transformation infrared spectroscopy (FTIR) and Raman spectroscopy. The results reveal that for the anatase supported tungsten…
Thin films of aligned carbon nanotubes were prepared by a simple mechanical rubbing from a singlewalled carbon nanotube powder, which was synthesized by the catalytic arc discharge. The measured electrical resistivity shows high anisotropy $({\ensuremath{\rho}}_{N}/{\ensuremath{\rho}}_{P})$ ranging from 5 to 15. The a…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTThe Formation of Cubic Pm3̄n Mesostructure by an Epitaxial Phase Transformation from Hexagonal p6mm MesophaseShunai Che, Satoshi Kamiya, Osamu Terasaki, and Takashi TatsumiView Author Information Division of Materials Science and Chemical Engineering Faculty of Enginee…
We formulate a theory of doped magnetic semiconductors such as Ga(1-x)Mn(x)As which have attracted recent attention for their possible use in spintronic applications. We solve the theory in the dynamical mean field approximation to find the magnetic transition temperature T(c) as a function of magnetic coupling streng…
Dielectric measurements are reported for liquid crystalline dimers consisting of two mesogenic groups joined through ether links by a flexible alkyl chain. Results are presented for the odd-symmetric dimer, α,ω-bis[(4-cyanobiphenyl)-4′-yloxy]undecane (BCB.O11), and the odd-asymmetric dimer, α-[(4-cyanobiphenyl)-4′-ylo…
Surface glass transition behaviors of monodisperse α,ω-diamino-terminated and α,ω-dicarboxy-terminated polystyrenes (α,ω-PS(NH 2 ) 2 and α,ω-PS(COOH) 2 ) were studied by scanning force microscopy and were compared with the results of proton-terminated polystyrene (PS−H). All surface glass transition temperatures, T g…
Late-stage coarsening in off-critical vapor-liquid phase separation is reexamined. In the limit of bubbles of vapor distributed throughout a continuous liquid phase, it is argued that coarsening proceeds via inertial hydrodynamic bubble collapse. This replaces the Lifshitz-Slyozov-Wagner mechanism seen in binary liqui…
Detailed microscopic image of polymer crystallization from the melt is searched for by molecular dynamics simulation. In order to accelerate crystallization, a simple model of polymethylene chain is devised; the polymer chain is made of 100 beads (CH2 united atoms) connected by harmonic springs and the lowest energy c…
We present a finite-temperature study of ferroelectric phase transitions in ${\mathrm{BaTiO}}_{3}$ ultrathin films using an atomic-level simulation approach. This is based on a shell model for ${\mathrm{BaTiO}}_{3}$ with parameters obtained from first-principles calculations. While transitions involving in-plane elect…
The location of poly(styrene- b -poly(methyl methacrylate)) (PS- b -PMMA) block copolymers in PMMA/poly(cyclohexyl methacrylate) (PCHMA) melt mixed blends was determined. Among all these components, only the PS portion of the block copolymer can be stained by ruthenium tetroxide and appears dark in transmission electr…
Temperature and dc magnetic-field dependencies of the electrical resistivity (4.3--300 K, 0--40 kOe) and heat capacity (3.5--14 K, 0--100 kOe) of polycrystalline ${\mathrm{Gd}}_{5}{\mathrm{Ge}}_{4}$ have been measured. The electrical resistivity of ${\mathrm{Gd}}_{5}{\mathrm{Ge}}_{4}$ shows a transition between the lo…