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。
The structural and electronic properties of the accessible Cu(I) site of a faujasite-type zeolite have been studied, by use of large cluster models and a density functional theory-based methodology. We demonstrate that the local ideal C(3) symmetry of the Cu(I) site II is broken. The Cu(I) cation is bonded to the zeol…
Abstract We investigate magnetoresistance effects for transport across (Ga,Mn)As nanoislands, detached by nanoconstrictions from wider (Ga,Mn)As input leads. As in previous studies a huge magnetoresistance was found for nanoconstrictions in the tunnelling regime. For slightly wider junctions an enhanced anisotropic ma…
Recently we have studied, using numerical simulations, a limited valency model, i.e. an attractive square well model with a constraint on the maximum number of bonded neighbours. Studying a large region of temperatures T and packing fractions ϕ, we have estimated the location of the liquid–gas phase separation spinoda…
Methotrexate (MTX) is widely used in the treatment of a number of oncological and hematological diseases. Due to its known limitations, MTX is often conjugated with different carriers to obtain amended forms of the drug. In this study, the potential influence of the substitution level (loading ratio) of the dextran T1…
We discuss how the anomalous increase of the viscosity in colloidal systems with short-range attraction can be related to the formation of long-living clusters. Based on molecular dynamics and Monte Carlo numerical simulations of different models, we propose a similar picture for colloidal gelation at low and intermed…
Abstract The Linkam shearing cell was used in conjunction with a polarized light microscope to study the isothermal crystallization process of linear low‐density polyethylene resins under simple shear flow. The growth of spherulitic morphology was observed under slow shear rates (less than 1 s −1 ). The crystalline sp…
We here report the rates of water substitution by methanol-d(4) for four new oxo-centered trinuclear rhodium(III) clusters with different carboxylate-bridging ligands, [Rh3(mu3-O)(mu-O2CR)6(OH2)3]+ (R = CH2CH3, CH2CH2Cl, CH2Cl, and CHCl2), and [Rh3(mu3-O)(mu-O2CCH3)6(OH2)3]+. By varying the R group alkyl chain, water…
Abstract A new class of liquid crystals with strongly negative dielectric anisotropy has been prepared by the exploitation of the somewhat “ambivalent” characteristics of the 1,3‐dioxane structure with respect to its polarity and by the axial fluorination of this structure, which gives these compounds attractive mesog…
Mechanical stretching of covalent bonds, for example when a fibrous polymer is loaded in tension, results in their stretching vibrational bands in the infrared or Raman spectrum being shifted to lower frequency. Conversely stretching a hydrogen bond shifts the stretching vibrational mode of the donor covalent X-H bond…
The anomalous behaviour of various properties of liquid water upon cooling may be explained by approaching the percolation transition of the four-coordinated water molecules or by approaching the liquid–liquid transition. We have found these two explanations are intrinsically closely related by locating the line of th…
Abstract Poly (ethylene terephthalate) (PET) was irradiated in air by gamma rays at dose rate of 28 kGy/h for doses up to 3500 kGy. The influences of gamma irradiation on the glass transition and degree of crystallinity were investigated by differential scanning calorimetry. For amorphous PET, the observed glass trans…
In a previous paper we combined calorimetric, diffraction and high-resolution quasi-elastic neutron scattering data to show that after exhibiting a glass transition at 165 K, interfacial water experiences a first order liquid-liquid transition at 240 K from a low-density to a high-density liquid. Here we present furth…
Abstract Polymeric membranes for electrodialysis, fuel cells, and other purposes with specific characteristics have been the focus of innumerable researches. The aim of this work was to evaluate membranes of the sulfonated polyaniline and polyurethane, obtained in the presence of the former, regarding its mechanical a…
The identification of phaC which encodes PHA synthase, that is involved in the formation of polyhydroxyalkanoate (PHA) containing 3-hydroxy-2-methylvalerate (3H2MV), was attempted. As of now, PHA containing 3H2MV has been reported to be produced only by mixed microbial cultures in activated sludge, but no pure bacteri…
This is the second part of a study to elucidate the local field effects on the nonlinear optical properties of p-nitroaniline (pNA) in three solvents of different multipolar character, that is, cyclohexane (CH), 1,4-dioxane (DI), and tetrahydrofuran (THF), employing a discrete description of the solutions. By the use…
Abstract This study examines the effect of dynamic vulcanization on the co‐continuous morphology in ethylene‐propylene‐diene terpolymer (EPDM)/polypropylene (PP) blends using a technique of morphology investigation involving focused ion beam (FIB) etching of the sample surface, followed by topological investigation of…
The degradation of nonvolatile surfactants sodium 4-octylbenzene sulfonate (OBS) and dodecylbenzenesulfonate (DBS) and a nonvolatile nonsurfactant 4-ethylbenzene sulfonic acid (EBS), as single components and binary mixtures, were studied under 354 kHz ultrasound. In addition, the effects of pulsed ultrasound on degrad…
Copolycyclotrimerizations of [( E / Z )-2-(1-ferrocenyl)vinyl]- m / p -phenylacetylene [( E / Z )- 1 ( m / p )] with 1,8-nonadiyne ( I ) were studied. The conformation of the vinyl unit of 1 affected the polycyclotrimerization reaction dramatically: while ( Z )- 1 failed to give any polymeric products, its E isomer un…
Experiments by TA2100 and STA409 C/3/F derived different kinetic parameters for same reaction. The difference changed greatly with sample load, due to mass transfer. A model was built to describe the influence of intraparticle, interparticle, and external diffusions on the thermogravimetric process. Model analysis sho…
Using molecular dynamics simulations, we study a spherically symmetric 'two-scale' Jagla potential with both repulsive and attractive ramps. This potential displays a liquid–liquid phase transition with a positively sloped coexistence line ending at a critical point well above the equilibrium melting line. We study th…