Materials Literature
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The structural elements in a rock are characterized by their density in Preisach-Mayergoyz space (PM space). This density is found for a Berea sandstone from stress-strain data and used to study the response of the sandstone to elaborate pressure protocols. Hysteresis with discrete memory, in agreement with experiment…
Dynamic and static light scattering is applied to concentrated suspensions of a new species of charged colloidal suspensions with a low refractive index. The polymer colloids which were obtained by polymerizing perfluorobutylacrylate could be index matched in a water/glycerol mixture. At volume fractions Φ greater tha…
Fourier transform infrared measurements on the spectra of the products of the vaporization of silicon/carbon mixtures trapped in solid argon in concert with ab initio calculations using second order many body perturbation theory have resulted in the identification for the first time of two vibrational fundamentals, ν3…
The molecular-based magnetic materials Cs(2)Mn(||)[V(||)(CN)(6)] (1) and (Et(4)N)(0.5)Mn(l.25)- [V(CN)(5)].2H(2)O (2) (where Et is ethyl) were prepared by the addition of manganese(II) triflate to aqueous solutions of the hexacyanovanadate(II) ion at 0 degrees C. Whereas 1 crystallizes in a face-centered cubic lattice…
A novel design for a zero-order achromatic diffractive optical element is presented. Applications of the optical element are discussed. Tolerances on the material properties and fabrication considerations are presented. The predicted performance characteristics, including optical efficiency and effective bandwidth, ar…
In the present communication we describe the investigation of local structure using a new visualization technique. The approach is based on two-dimensional pair correlation functions derived from a molecular dynamics computer simulation. We have used this method to analyse a trajectory produced in a simulation of a ne…
We report grand canonical Monte Carlo simulations at 298 K for a model of water in graphitic carbon pores of slit shape, for a range of pore widths from 5 to 27 Å. Large systems (typically 500–1000 water molecules and 2016 carbon atoms) and long runs (30–50 million configurations) were used, and the structure of the c…
Abstract Poly(ethylene terephthalate) (PET) taken from postconsumer soft‐drink bottles was subjected to solid‐state polycondensation after cutting into small pieces or after dissolution in trifluoracetic acid, trifluoracetic acid/dichloromethane mixture (50/50%, v/v), or nitrobenzene, and coagulation in methanol. The…
The 248 nm UV photosensitivity of H2 loaded optical fibers is shown to be significantly enhanced by increasing the temperature during the UV exposure. Heating to 250–400 °C resulted in dramatic UV reaction rate increases in GeO2 doped fibers. Increasing the core temperature during 248 nm irradiation caused P2O5 doped…
Melts of many silicates are known to have an anomalous transport property in that the diffusivity of oxygen atoms drastically increases with pressure. Here we propose a mechanism for the anomalous diffusion process in liquid silica and silicates on the basis of molecular dynamics (MD) results for pressure-induced stru…
Electron beam deposition (EBD) is a maskless technique suitable for the fabrication of nanometer scale structures. Metals can be deposited from an organometallic gas, but simultaneous carbon deposition typically yields grossly impure (∼25% metal) deposits. We have found that the metal content of the deposited solid is…
We present a method for calculating the self-energy in the $\mathrm{GW}$ approximation that can be applied to systems containing $3d$ and $4f$ electrons. The method is applied to NiO and a gap of $\ensuremath{\sim}5.5$ eV is obtained, which is in reasonable agreement with the experimental value of 4.0 eV. The local de…
Three series of glassy samples are prepared by means of rapid quenching in the systems Li2OTiO2P2O5, Li2OTiO2P2O5SiO2, and Li2OTiO2P2O5SiO2V2O5. Their glass transition temperature, crystallization temperature, density, and electrical conductivity are measured by DTA, Archimedes method, and impedance spectrosc…
Single crystals of SrxBa1−xNb2O6 (SBN) with congruent composition (x = 0.61) and Sr0.61Ba0.39Nb2O6 crystals doped with various concentrations of cerium are grown with the Czochralski method. A subsequent doping of the crystals with protons and deuterons is performed either by hydrothermal high temperature treatment or…
The tracer diffusion coefficient of 44Ti in α-Fe is determined by the serial sectioning method in the temperature range of 948 to 1174 K. In paramagnetic α-Fe the diffusion coefficient of Ti shows a linear Arrhenius relationship from the α-γ transformation temperature to about 30 K above the Curie temperature TC = 104…
The optical and electrical properties of c-axis-oriented ZnO films prepared by chemical vapour deposition (CVD) in oxygen atmosphere containing water vapour are investigated. The minimum dc resistivity gives 2.20 Ω cm at a film formation temperature of 550°C. The temperature dependence of electrical conductivity for t…
The chemical species in the asymmetric unit of the title complex, [Cu(C 2 H 3 N) 4 ]PF 6 .C 2 H 3 N, consist of tetrahedral [Cu(CH 3 CN) 4 ] + cations [Cu−N 1.968 (6)-2.030 (6) A], [PF 6 ] − anions and acetonitrile solvate molecules
The diffusion constant in a silicon melt is calculated using molecular dynamics simulation based on the modified Stillinger–Weber [Phys. Rev. B 31, 5262 (1985)] interatomic potential in the temperature range 1550 K<T<1900 K. Temperature dependence of the calculated diffusion constant can be expressed usi…
We present the results of density-functional calculations of the dielectric function and the photoelastic tensor---the susceptibility for strain-induced birefringence---in GaAs for photon frequencies below the direct band gap. These calculations were performed in the Kohn-Sham local-density approximation in a pseudopo…
Crystal structure refinement of copper-bearing tourmaline from Paraiba, Brazil, rim composition {Na 0.54 Ca 0.05 } {Li 1.21 Mn 0.04 Cu 0.10 Al 1.66 } Al 6 {Si 5.92 - Al 0.08 } O 18 {BO 3 } 3 ,(OH) 3.56 F 0.44 }, core composition {Na 0.55 Ca 0.01 } {Li 1.16 Mn 0.08 Cu 0.05 Al 1.71 } Al 6 {Si 5.88 -Al 0.12 } O 18 {BO 3…