Materials Literature
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With the aim of identifying universal trends, we compare fully self-consistent electronic spectra and total energies obtained from the GW approximation with those from an extended GWGamma scheme that includes a nontrivial vertex function and the fundamentally distinct Bethe-Goldstone approach based on the T-matrix. Th…
we investigate developable cones (d-cones) topology and mechanical properties. We found that for a sample of a finite thickness the singularity is never pointlike but has a spatial extension in form of a crescent. The variations of the sheet local curvature versus the distance from the d-cone tip for all deformations…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTHeterogeneous Catalysts for Liquid-Phase Oxidations: Philosophers' Stones or Trojan Horses?Roger A. Sheldon, Martin Wallau, Isabel W. C. E. Arends, and Ulf SchuchardtView Author Information Laboratory of Organic Chemistry and Catalysis, Delft University of Technology, Julian…
When a mixture of two viscous liquids flows past a solid wall there is an ambiguity in the use of the no-slip boundary condition. It is not obvious whether the mass-averaged velocity, the volume-averaged velocity, the individual species velocities, all of the above, or none of the above should exhibit no slip. Extensi…
Highly (110)-oriented and (100) nearly epitaxial 0.7PMN-0.3PT thin films were deposited on (1012) sapphire and (100) LaAlO3 substrates, respectively, using a dip-coating method. Optical waveguide characterization and electro-optic effect measurements of the film on sapphire substrate were demonstrated. Low propagation…
This paper presents an inelastic neutron scattering study of the proper ferroelectric and elastic neutron scattering results on the satellite diffraction pattern which characterizes the modulated phase. The temperature dependences of the satellite intensities and modulation wavevector are in fair agreement with result…
In this work, we develop a general theoretical scheme to study tracer-diffusion in mixtures of interacting colloidal particles where the influence of solvent-mediated hydrodynamic interactions is also considered. Based on the many-body Smoluchowski diffusion equation, we derive in a first step an exact microscopic exp…
The kinetic energy dependence of the reactions of Vn+ (n=2–17) with oxygen is studied using a guided ion beam mass spectrometer. In all but the smallest clusters, the primary reaction process at low energies is the formation of a vanadium cluster dioxide ion which then loses one or two vanadium atoms or a vanadium oxi…
The density matrix renormalization group (DMRG) method introduced by White for the study of strongly interacting electron systems is reviewed; the method is variational and considers a system of localized electrons as the union of two adjacent fragments A,B. A density matrix ρ is introduced, whose eigenvectors corresp…
We report on the growth of superconducting Nb-doped SrTiO3 thin films on LaAlO3 substrates by pulsed laser deposition. We find optimum Nb doping and high mobility for growth near 870 °C and chamber pressures below 3×10−4 Pa (2×10−6 Torr). The transport properties were measured from 300 K to 150 mK. The most highly dop…
We report on experiments dealing with the propagation of a collimated laser beam in a dye doped nematic confined in a capillary of optical fiber size. The nematic is aligned in a such a way that the source beam is self focused. The behavior of the beam - focusing, multifocus regime, filamentation and undulation - alre…
Dynamics of a polydisperse 3D dry foam was experimentally investigated by means of a novel nondestructive method, more precisely by optical tomography associated to a foam reconstruction algorithm. The foam coarsening law obeys to a 3D extension of the classical von Neumann coarsening law of 2D foams. It is obtained a…
Quantum beats due to coherently prepared acoustic vibrational modes have been observed for 14 to 17 nm diameter Au particles. The beat frequency is inversely proportional to the particle size. The dephasing time is ca. 15 ps, which is limited by the broad size distribution (±2 nm) of the samples.
Using an effective Hamiltonian parametrized from first principles, Monte Carlo simulations are performed in order to study the piezoelectric response of BaTiO3 in the ferroelectric tetragonal phase as a function of temperature. The effect of an electric field on the phase behavior is also illustrated by a simulation o…
In this work, we examine in detail the structure and dynamics of the face-centered cubic (100) and (111) crystal–melt interfaces for systems consisting of approximately 104 hard spheres using molecular dynamics simulation. A detailed analysis of the data is performed to calculate density, pressure, and stress profiles…
Electron loss and electron-induced photon-emission probabilities are calculated near arbitrarily shaped dielectrics described by frequency-dependent response functions. The exact solution of Maxwell's equations is reduced to self-consistent equations involving integrals over the interfaces. The particular case of axia…
By analyzing the vibrational eigenmodes of a model structure obtained previously by quantum molecular dynamics, the two sharp features appearing in the Raman spectrum of vitreous silica could conclusively be assigned to three- and four-membered ring structures embedded in the network. The projections of the eigenmodes…
Six steels were obtained from excavations of in-service gas transmission pipelines, and subjected to hydrogen charging by electrochemical means. The aim was to assess the susceptibility to hydrogen damage of these materials, which were not expected to encounter hydrogen-containing environments when they were originall…
The radical polymerization of the three kinds of fluorine-containing maleimides, that is, N-[2-(trifluoromethyl)phenyl]maleimide (2TFPhMI), N-[3-(trifluoromethyl)phenyl]maleimide (3TFPhMI), and N-[4-(trifluoromethyl)phenyl]maleimide (4TFPhMI) was carried out in the presence of a radical initiator in benzene at 60°C. T…
A novel thermotropic side-chain liquid crystalline ionomer (LCI) containing sulfonic acid groups on the side-chain was synthesized by graft copolymerization of mesogenic monomer 4-allyloxy-benzoxy-4′-methoxyphenyl (ABM) and nonemesogenic monomer 4-allyloxy-azobenzene sulfonic acid (AABS) upon polymethylhydrosiloxane (…