Materials Literature
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A nonequilibrium molecular dynamics algorithm is employed to study a fluid confined between two immobile walls. The linear response theory of Bocquet and Barrat [Phys. Rev. E 49, 3079 (1994)] is used to relate phenomenological parameters, which determine the boundary conditions of the interface, to averages over micro…
We present a method for calculating ab initio interatomic forces which scales quadratically with the size of the system and provides a physically transparent representation of the force in terms of the spatial variation of the electronic charge density. The method is based on a reciprocity theorem for evaluating an ef…
Abstract Rare-earth iron permanent magnets combine the magnetization of iron or cobalt with the anisotropy of a light rare-earth in intermetallic compounds which exhibit nearly ideal hysteresis. The rare-earth iron magnets are now indispensable components of a vast range of electronic and electromechanical devices. Th…
The diffuse scattering functions for two-dimensional model of KSCN crystal has been studied by the moleculx-dynamics simulation technique. We show that below the tetragonal orthorhombic phase transition the width of the diffuse peak remains temperature independent, although its intensity increases when the temperature…
This paper deals with the dependence of the electronic potential on normal coordinates for SbSI, SbSBr, SbSeI, SbSeBr crystals at Sb, Bi, S, I, Se, Br sites in the paraelectric phase and for SbSBr crystal in the ferroelectric phase. In the paraelectric phase the normal mode of symmetry B 1u, is studied. The large anha…
Two methods and an experimental setup for the measurement of spacing of diffraction gratings have been developed. These methods depend on interferometric measurements at different wavelengths of the angles of diffraction beams from the grating to be measured. A lower limit for the measured spacing is the half-waveleng…
Various physical properties of water with I E structures are measured. Compared with oridinary water, there is an approximate 20% decrease in dielectric constant for I E water at MHz as an increase of emf generated by I E water between two identical stainless steel electrodes, and an increase in resistivity to AC curr…
The interface width between polystyrene and poly-(methyl methacrylate) has been determined by neutron reflectometry as a function of molecular weight. It changes with molecular weight between 3.3 nm and 5.5 nm in the investigated range. The molecular-weight dependence is consistent with a mean-field theoretical descri…
A method that uses improved mathematical forms and data-processing techniques has been developed for generating index dispersion equations for nonlinear optical crystals. The data may be diverse, including measured indices of refraction, type I, II, or III critically phase-matched angles, noncritically phase-matched w…
delta-Aminolevulinate in plants, algae, cyanobacteria, and several other bacteria such as Escherichia coli and Bacillus subtilis is synthesized from glutamate by means of a tRNA(Glu) mediated pathway. The enzyme glutamyl tRNA(Glu) reductase catalyzes the second step in this pathway, the reduction of tRNA bound glutama…
The stress-stress correlation function and the viscosity of a united-atom model of liquid decane are studied by equilibrium molecular dynamics simulation using two different formalisms for the stress tensor: the atomic and the molecular formalisms. The atomic and molecular correlation functions show dramatic differenc…
Eine Brücke zwischen Porphyrinen und Annulenen schlagen die Carbaporphyrine 1 (R = H und CH 3 ), in denen ein Stickstoffatom des Porphyrin‐Grundgerüsts durch Kohlenstoff ersetzt wurde. Diese neuartigen Verbindungen sind ebenfalls 18π‐Arene und haben ähnliche spektroskopische Eigenschaften wie die Porphyrine. magnified…
The shear viscosity of Bi - Ga melts in the entire concentration range was measured using an oscillating-cup viscometer. The viscosity data well above the temperature of phase separation can be represented by an empirical equation of the Arrhenius type. The activation energies of viscous flow are given. In the vicinit…
Zwei verzerrte, hexagonale Fe 6 O 6 ‐ Prismen , die über eine gemeinsame Vierecksfläche verknüpft sind, bilden das Zentralgerüst (Bild rechts) des zehnkernigen Eisenkomplexes 1 . Magnetischen Messungen zufolge hat die Käfigverbindung einen Highspin‐Grundzustand mit S = 11 oder 12. Hchp = 6‐Chlor‐2‐pyridon. [Fe 10 Na 2…
In this letter we report on the pulsed laser epitaxial deposition of thin films of Sr0.75Ba0.25Nb2O6 on MgO substrates with measured diagonal Pockel’s coefficient r33=844 pm/V in these films. This is the largest linear electro-optic coefficient reported to date in a thin film material. In order to measure this coeffic…
Subwavelength structured (SWS) surfaces etched directly into different substrates provide performance equivalent to an ideal anti-reflection thin film. We report on SWS surfaces etched into silicon which present anti-reflection properties for visible light. The fabrication of the SWS component is based on a double hol…
To explore the origin of the recently discovered non-Arrhenius behavior of the dc conductivity in glassy fast ionic conductors at high temperatures, we investigate by Monte Carlo simulations the transport of charged particles in an energetically disordered structure. We show that the combined effect of Coulomb interac…
Epitaxial hcp and bcc Cu and Pd films were grown on W(100). The epitaxial relation of the hcp films is determined by reflection high energy electron diffraction (RHEED) as $(11\overline{2}0)\ensuremath{\parallel}(100)$ and $[0001]\ensuremath{\parallel}[011]$. The growth of hcp Cu and Pd is attributed to the much small…
By electrolysis of the methanol solution, an attempt was made to deposit diamondlike carbon (DLC) films on silicon substrate at temperature of less than 60 °C. Substrates were negatively biased with a dc potential of 0 to −3000 V. IR spectra showed that the O–H, C–H, and C–O vibration bands of electrolyte decreased re…
A giant permittivity associated with the motion of domain walls is reported in epitaxial hetero- structures having alternating layers of ferroelectric and nonferroelectric oxides. At low frequencies, permittivities as high as 420 000 are found. Real and imaginary parts of the dielectric constant show large dispersion…