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 stability of calcium phosphate clusters approximately 0.8 nm in diameter, which were found in a simulated body fluid in a previous work, was investigated in the system CaCl 2 −H 3 PO 4 −KCl−H 2 O using an intensity-enhanced dynamic light-scattering technique at 25 °C. It was shown that tris(hydroxymethyl)aminometh…
Ten low-lying electronic states of Fe(II) porphine, 5A1g, 5Eg, 5B2g, 3A2g, 3B2g, 3Eg(A), 3Eg(B), 1A1g, 1B2g, and 1Eg states, are studied with multiconfigurational second-order perturbation (CASPT2) calculations with complete active space self-consistent field (CASSCF) reference functions with larger active space and b…
Abstract Effects of coating formulation (starch type and plasticizer) on microstructure, water vapor, and gas permeabilities of films and coatings were analyzed. Plasticizer addition was necessary for films and coatings integrity to avoid pores and cracks. A satisfactory correlation between microstructure observations…
Current theories of CVD growth on (100) diamond are unable to account for the numerous experimental observations of slow-growing, locally smooth (100)(2×1) films. In this paper we use quantum mechanical calculations of diamond surface thermochemistry and atomic-scale kinetic Monte Carlo simulations of deposition to in…
A new reverse Monte Carlo (RMC) method for modelling both lattice and magnetic disorder in powder crystalline materials by direct calculation of the structure factor has been developed. The method, the program and the basic theory are described in some detail. Initial results from modelling the lattice and magnetic st…
Stochastic network description provide useful information about the link between the glass transition temperature T g and network connectivity. In multicomponent glasses, this permits to distinguish homogeneous compositions (random network) from inhomogeneous ones (local phase separation). The stochastic origin of the…
This paper describes the synthesis and the biodegradation of optically active copolymers, poly[( R )-1-methyltrimethylene carbonate- co -ε-caprolactone] and poly[( S )-1-methyltrimethylene carbonate- co -ε-caprolactone] and poly[( R, R )-1,3-dimethyltrimethylene carbonate- co -ε-caprolactone] and poly[( S, S )-1,3-dim…
Classical homogenization methods do not account for size effects in the effective properties of polycrystals: they do not predict the influence of grain size nor the width of shear bands in localization phenomena. The polycrystal can be regarded as an example of a heterogeneous Cosserat material. A method is proposed…
Abstract The redox potential and pH of aerated suspensions of iron(II) hydroxide in sulphate–containing aqueous solutions are measured during the oxidation process. Plateaux corresponding to the equilibrium conditions between Fe(OH) 2(s) and Fe(II)-Fe(III) hydroxysulphate GR2(SO 2- 4 ) (s) on the one hand, and between…
We report the detailed study of mechanically induced free radical (mechanoradical) formation of glucose-based polysaccharides such as cellulose and amylose based on electron spin resonance (ESR) on its comparison with plasma-induced radicals of polysaccharides. The observed ESR spectra of mechanically fractured sample…
SiC/SiC minicomposites that comprise different pyrocarbon/silicon carbide ((PyC/SiC) n ) multilayered interphases and a tow of SiC fibers (Hi‐Nicalon) have been prepared via pressure‐pulsed chemical vapor infiltration. Pyrocarbon and SiC were deposited from propane and a CH 3 SiCl 3 /H 2 mixture, respectively. The mic…
The synthesis and structural, chemical, and transport properties of a new clathrate compound with elemental composition Cs 8 Zn 4 Sn 42 is reported. This compound is cubic with space group Pm 3̄ n and a lattice parameter of 12.1226(19) Å. Single-crystal X-ray diffraction and structural refinement indicate that Cs atom…
Summary Accessibility of adsorbates to internal active sites of soils depends mainly on the porous structure of the material. We aimed to determine the distribution of pore sizes in soils with varied physico‐chemical properties, by combining adsorption of gases and mercury porosimetry. Microporosity was studied by phy…
Abstract The composition, texture and genetic evolution of kerolite and related Mg clays belonging to the Intermediate Unit of the Miocene from the Madrid Basin have been studied. About 400 samples from the Esquivias deposit were analysed by several mineralogical and/or chemical techniques. Two genetic pathways for th…
We report the thickness and annealing temperature dependence of the structural, morphological, compositional, and electrical properties including ferroelectric characteristics of Pb(Zr0.52Ti0.48)O3 thin films deposited by a sol-gel method. The thickness and annealing temperature of the films were in the range of 0.12–…
A thin-layer electrochemical flow cell coupled on-line with electrospray mass spectrometry (EC/ES-MS) was used to investigate the soluble products from the controlled-potential anodic polymerization of aniline in H(2)O and H(2)O/CH(3)OH (1/1 v/v) with ammonium acetate and acetic acid or ammonium hydroxide as electroly…
Abstract A conducting polymer having photochromic diarylethene units in the main chain was synthesized. Reversible photochromism was observed in solid film, and photoluminescence and electrical conductivity were found to change along with the photoisomerization.
The structural and electronic properties of some simple ternary oxides with the delafossite-type structure have been investigated using the periodic Hartree−Fock method and a posteriori density-functional corrections. The coexistence in the same crystal structure of different structural motifs, such as MO 6 octahedra,…
We investigate the depletion induced phase separation in mixed suspensions of colloidal spheres with diameter σ and colloidal rods with length L and diameter D. Using an extension of the free volume method developed by one of us [H.N.W. Lekkerkerker and A. Stroobants, Physica A 195, 387 (1993)], we calculate the phase…
A mathematical model of an electrochemical capacitor with hydrous ruthenium oxide electrodes including both double‐layer and surface faradaic processes is developed to predict the behavior of the capacitor under conditions of galvanostatic charge and discharge. The effect of particle size is studied and shows that the…