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。
Insulating host materials doped with trivalent cerium show quantum efficiencies of the Ce3+ emission ranging from zero to unity. Comparing optical and photoelectrical properties of a very efficient scintillator material (Lu2(SiO4)O:Ce) to those of cerium doped oxides with quenched emission, the radical differences for…
The dynamics of a single crack moving through a heterogeneous medium is studied in the quasi-static approximation. Equations of motion for the crack front are formulated and the resulting scaling behaviour analyzed. In a model scalar system and for mode III (tearing) cracks, the crack surface is found to be self affin…
Atomic-scale calculations for the dynamics of the 90$^0$ partial glide dislocation in silicon are made using the effective-medium tight-binding theory. Kink formation and migration energies for the reconstructed partial dislocation are compared with experimental results for the mobility of this dislocation. The result…
The x-ray diffraction properties of highly oriented pyrolytic graphite (HOPG) were studied for x-ray energies ranging from 4 to 60 keV. In particular, the secondary extinction thickness was determined by recording the peak and integrated reflectivity as a function of depth below the surface. The results showed that fo…
We study a diblock AB copolymer brush in good solvent using the self-consistent field approximation. The copolymer chains of the brush are end grafted to a planar surface always by the same type of monomers. Depending on the Flory–Huggins interaction parameter χAB, we found two different regimes. If χAB≳0 a demixing t…
Conical intersections between Born–Oppenheimer potential energy surfaces create singularities which are known to have a direct effect on the symmetry of the nuclear wave functions. In this article is presented a quasi-Jahn–Teller model to study the symmetry effects of these singularities on nonreactive and reactive sc…
We present a self-consistent, real-space calculation of the Wannier functions of Si and GaAs within density functional theory. We minimize the total energy functional with respect to orbitals which behave as Wannier functions under crystal translations and, at the minimum, are orthogonal. The Wannier functions are use…
We present comprehensive results of large-scale molecular dynamics and Monte Carlo simulations of systems of dense hard spheres at volume fraction φ along the disordered, metastable branch of the phase diagram from the freezing-point φf to random close packing volume φc. It is shown that many previous simulations cont…
Blends of poly(L-lactide) (PLLA) and poly(ε-caprolactone) (PCL) were prepared in a co-rotating twin screw miniextruder (40 rpm, 200°). It was attempted to prepare multiblock copolymers by allowing a controlled number of transesterification reactions. Various cat-alysts (n-Bu3SnOMe, Sn(Oct)2, Ti(OBu)4, Y(Oct)3, para-to…
An affinity membrane was prepared from a porous cellulose membrane, and adsorption and recovery of serum proteins were investigated from the viewpoint that affinity membranes are efficacious against separation and purification of biomaterials. Into the cellulose membrane, iminodiacetate (IDA) group that acts as a liga…
Microbial enzymes are enabling new technologies for processing pulps and fibers. Xylanases reduce the amount of chemicals required for bleaching; cellulases smooth fibers, enhance drainage, and promote ink removal; lipases reduce pitch; lignin-degrading enzymes remove lignin from pulps. Several of these processes are…
Polyurethanes are one of the most important classes of thermoplastic elastomers and have been widely used in medical-device manufacturing as well as in other applications. However, their function can be limited, particularly under environmental conditions that render them susceptible to hydrolysis. Using polymeric add…
Composites with polypropylene (PP) and jute fiber were prepared by injection molding technique. Maleic anhydride-grafted polypropylene was added as coupling agent to improve the adhesion between jute fiber and PP. A high fiber attrition was noted during injection molding, which had negative effects on the mechanical p…
We perform total energy calculations based on the tight-binding Hamiltonian scheme (i) to study the structural properties and energetics of the extended {311} defects depending upon their dimensions and interstitial concentrations and (ii) to find possible mechanisms of interstitial capture by and release from the {31…
Using coherent anti-Stokes Raman and linear absorption spectroscopy we present experimental evidence for a novel electron trapping mechanism in Sm doped CaF2. The appearance of additional Raman lines after ionization of the Sm2+ ions, their dependence on the Sm3+ concentration and their behavior due to an enhancement…
We will discuss the meaning of piezo-, pyro-, ferro- and antiferroelectricity (defined for solids) and their possible appearance in the liquid state. We will do this using general symmetry principles as a starting point. The arguments will also be used for the prediction of non-linear optical properties in the liquid…
Anelastic relaxations of amorphous Zr65Al7.5Cu27.5 have been studied in the range of the glass transition and in the supercooled liquid. Applying a force step function, an anelastic aftereffect of the form exp(t/τ)β (Kohlrausch–Williams–Watts function) is expected with an exponent β<1. From the measurement a va…
The reorientation of a nearly spherical paramagnetic tracer dissolved in supercooled o-terphenyl is studied by electron spin resonance in the range 200 K < T < 370 K. For T > 300 K the rotational correlation time tau(2) follows the Debye-Stokes-Einstein law. On decreasing the temperature, the rotational motio…
Crystallographic studies on adenylate kinase (AK) suggest that binding of ATP causes the LID domain of the enzyme to close over the ATP molecule (Schlauderer et al. (1996) J. Mol. Biol. 256, 223-227). The method of time-resolved fluorescence resonance energy transfer was applied to study the proposed structural change…
We examine the effect of dipolar interactions on the liquid-crystalline phase behaviour of L/D = 5 hard spherocylinders with a terminal point dipole. The hard spherocylinder consists of a cylinder of length L and diameter D with hemispherical caps on each end; the point dipole is located at the centre of the hemispher…