Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
We have performed first principles electronic structure calculations to investigate the structural and magnetic properties of Fe/ZnSe(001) interfaces. Calculations involving full geometry optimizations have been carried out for a broad range of thickness of Fe layers(0.5 monolayer to 10 monolayers) on top of a ZnSe(00…
We investigate the flow of granular material in a rotating cylinder numerically using molecular dynamics in two dimensions. The particles are described by a new model which allows to simulate geometrically complicated shaped grains. The results of the simulation agree significantly better with experiments than the res…
We present magnetization measurements on \ensuremath{\sim}3-nm $({\mathrm{Fe}}_{0.26}{\mathrm{Ni}}_{0.74}{)}_{50}{\mathrm{B}}_{50}$ ferromagnetic amorphous nanoparticles. Our results show evidence of the surface contribution to the magnetic properties in the $M(H),$ $M(T)$ and relaxation measurements. We observe a lar…
In the present work, the bulk degradation of SiC in hadron (pion and proton) fields, in the energy range between 100 MeV and 10 GeV, is characterised theoretically by means of the concentration of primary defects per unit fluence. The results are compared to the similar ones corresponding to diamond, silicon and GaAs.
We propose a model for collisions between particles of a granular material and calculate the restitution coefficients for the normal and tangential motion as functions of the impact velocity from considerations of dissipative viscoelastic collisions. Existing models of impact with dissipation as well as the classical…
Polyelectrolyte adsorption onto an oppositely charged interface is determined by electrostatic and secondary interactions. Since polyelectrolytes precipitate at elevated temperatures, the secondary interactions are presumably temperature dependent. This idea is tested for poly(allylamine) hydrochloride/polystyrene sul…
We propose a new model for the description of complex granular particles and their interaction in molecular dynamics simulations of granular material in two dimensions. The grains are composed of triangles which are connected by deformable beams. Particles are allowed to be convex or concave. We present first results…
We investigate curvature effects on geometric parameters, energetics, and electronic structure of zigzag nanotubes with fully optimized geometries from first-principle calculations. The calculated curvature energies, which are inversely proportional to the square of radius, are in good agreement with the classical ela…
The recently introduced new class of contrast agents (CAs) based on chemical exchange saturation transfer (CEST) may have a huge potential for the development of novel applications in the field of MRI. In this work we explored the CEST properties of a series of Lanthanide(III) complexes (Ln = Eu, Dy, Ho, Er, Tm, Yb) w…
The structural analyses of the defects for ZnO films on (01&1macr;2) r‐plane LiTaO3 substrate were carried out using electron diffraction, high‐resolution electron microscopy (HREM), and image simulations. The epitaxial relationship was found to be [0001]ZnO∥[0&1macr;11]LiTaO3 and (11&2macr;0)ZnO∥ (01&1macr;2)LiTaO3.…
Aluminosilicate and silicate porous solids have been evaluated as supports for triethylenediamine (TEDA) for the adsorption and decomposition of cyanogen chloride. A series of silica-gel supports has been used to study the effect of varying pore size. A series of faujasitic zeolites has been used to examine the effect…
A basic problem in spreading of a Newtonian liquid is the hydrodynamic description of the viscous energy dissipation near the moving contact line. With a sharp wedge profile, the braking force becomes infinite (divergence problem), implying that a drop is unable to spread on a solid surface, due to an infinite braking…
The effect of pressure on NO x emission during char particle combustion was examined in chemical-reaction control and diffusion control regimes. A fixed bed was used for batch testing under 0.1−1.6 MPa. It was found that with increasing pressure, NO x emission decreased extremely, when char combustion rate was control…
Pyrene-labeled amphiphilic hyperbranched poly(sulfone−amine)s (Py-Am-HPSA) with a hydrophilic hyperbranched core and different amounts of hydrophobic tails were synthesized by end-capping of pyrene-labeled hyperbranched poly(sulfone−amine) (Py-HPSA) with palmitoyl chloride. The characterization of fluorescence showed…
A rational synthesis for dibenzo[fg,op]naphthacene derivatives (also named as dibenzopyrene) is described. The methodology involves the preparation of a quaterphenyl using a palladium-catalysed cross-coupling of arylboronic acids followed by chemical or photochemical cyclization. The versatility of the process is show…
The stationary points on the potential energy surfaces (PES) of cobalt oxide clusters were studied by the density functional theory, with the B1LYP exchange-correlation functional. A number of local minima were detected on the doublet, quartet, and sextet PES of CoO n ( n = 1−4) and the singlet, triplet, and quintet P…
Abstract Silicon‐methoxide‐containing modified clays were obtained through cationic exchange between the sodium clay and the ammonium cation of [3‐(trimethoxysilyl)propyl]octadecyldimethylammonium chloride (Si18). The nanocomposites were prepared through bulk polymerization of styrene in which the Si18 clay was disper…
The synthesis and characterization of diblock and triblock copolymers produced by a two-component iniferter system is reported. These materials, designed for possible water treatment applications, consist of a hydrophilic poly(2-dimethylaminoethyl methacrylate) (PDMAEMA) block and a very low surface energy poly(1,1‘-d…
Crystal-nucleation phenomena of supercooled liquid o-benzylphenol are studied by differential scanning calorimetry (DSC). While crystallization proceeds with crystal nucleation and growth processes, only the latter process can be observed calorimetrically. Whether there exist crystal nuclei in the supercooled liquid o…
ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTKinetics of Hyperbranched Polystyrenes by Free Radical Polymerization of Photofunctional InimerKoji Ishizu, Yoshihiro Ohta, and Susumu KawauchiView Author Information Department of Organic Materials and Macromolecules, International Research Center of Polymer Science, Tokyo Ins…