Materials Literature
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In this study, the crystallization process of SrTiO3 thin films, prepared by a chemical method, was characterized by Fourier Transformed Infra Red (FT-IR), Grazing Incident X-ray Diffraction (GIXRD), Thermal Analysis (TG) and X-ray Absorption Near Edge Structure (XANES). The results showed that an amorphous inorganic…
Iodo-oxyapatite [pentadecacalcium iodide oxide nonaphosphate, Ca(15)(PO(4))(9)IO] was synthesized by a flux method and the structure was solved from single-crystal X-ray data. The crystal structure was refined in the space group P6(3)/m [a = 9.567 (1), c = 20.754 (2) Å and Z = 2] to wR on F of 0.0459. Iodo-oxyapatite…
Quantum-based atomistic simulations are being used to study fundamental deformation and defect properties relevant to the multiscale modeling of plasticity in bcc metals at both ambient and extreme conditions. Ab initio electronic-structure calculations on the elastic and ideal-strength properties of Ta and Mo help co…
Deformation by laundering is investigated for single jersey and 1 × 1 rib flat knit silk and cotton fabrics with yams of varying linear densities and fabric tightness. The fabrics are subjected to relaxation processes and an extended series of wash and tumble- dry cycles. Changes in dimensions are measured in every pr…
X-ray photoelectron spectroscopy has become a true microscopic technique at third generation soft X-ray synchrotron sources, finding applications in many domains of academic and applied research. This paper describes the present status of scanning photoemission microscopy, where by using photon optics the photon beam…
Mercuric iodide crystals in their platelet habit were grown by the polymer controlled vapor transport method. Mercuric iodide 99% in purity was sublimated at temperatures about 122 - 126 °C and vacuum conditions (10-5 mmHg), after selecting an appropriate polymer. Temperature profiles and experimental heat transfer mo…
The infrared absorption, infrared emission, and Fourier transform (FT)-Raman spectra of a series of gibbsites well defined by X-ray diffraction have been obtained. Hydroxyl stretching frequencies were found ∼ at 3670, 3620, 3524, 3452, 3395, 3375, and ∼ 3300 cm −1 . Hydroxyl deformation vibrations were observed at 105…
A numerical analysis has been made of anharmonicity effects for vibrational eigenmodes in a model of vitreous silica constructed by molecular dynamics. It is shown that in macroscopic systems all eigenmodes are generally harmonic. Strong anharmonicity is found for the bare localized modes in the low-frequency region a…
Pressureless sintering studies have been conducted for excess Al 2 O 3 , stoichiometric, and excess MgO compositions of MgAl 2 O 4 at 1500‐1625°C. Initial powders of various compositions are prepared by solid‐state reaction of MgO and Al 2 O 3 . A Brouwer defect equilibrium diagram is constructed that assumes intrinsi…
All representatives of an inorganic crystal structure type can be found systematically in the new database SICS (Standardized Inorganic Crystal Structures). It is derived from the Inorganic Crystal Structure Database (ICSD) by selecting the best determination of each phase. In addition, each entry is given in a standa…
Controlling bacterial biofouling is desirable for almost every human enterprise in which solid surfaces are introduced into nonsterile aqueous environments. One approach that is used to decrease contamination of manufactured devices by microorganisms is using materials that easily slough off accumulated material (i.e.…
We study the phase behavior of model colloidal systems composed of infinitely thin hard platelets, with polydispersity in the size of the particles. Semi-grand Gibbs ensemble simulations are used to study the coexisting nematic and isotropic phases for a range of systems with varying polydispersity. Particle size segr…
The present study was carried out in an attempt to make a gelatin film strongly bioadhesive by introducing free dangling aldehyde groups. When gelatin films were treated with 0.5M of glutaraldehyde (GA) solution at 60 degrees C, free aldehyde groups (up to 150 micromol/g) were introduced in the film. The bonding stren…
We developed a new lattice Boltzmann method that allows the simulation of two-phase flow of viscoelastic liquid mixtures. We used this new method to simulate a bubble rising in a viscoelastic fluid and were able to reproduce the experimentally observed cusp at the trailing end of the bubble.
We propose a di-interstitial model for the P6 center commonly observed in ion implanted silicon. The di-interstitial structure and transition paths between different defect orientations can explain the thermally activated transition of the P6 center from low-temperature C1h to room-temperature D2d symmetry. The activa…
We study the critical dynamics of three-dimensional ferromagnets with uniaxial anisotropy by taking into account exchange and dipole-dipole interaction. The dynamic spin correlation functions and the transport coefficients are calculated within a mode coupling theory. It is found that the crossover scenario is determi…
This paper reports ${}^{139}\mathrm{La}$ NMR measurements of a powder sample of the colossal magnetoresistance compound ${\mathrm{La}}_{2/3}{\mathrm{Ca}}_{1/3}{\mathrm{MnO}}_{3}{(T}_{c}=268 \mathrm{K})$ performed in the paramagnetic state (292--575 K) and in high magnetic fields (2.00--9.40 T). Analysis of the spectru…
Classical hard spheres crystallize at equilibrium at high enough density. Crystals made up of stackings of two-dimensional hexagonal close-packed layers (e.g., fcc, hcp, etc.) differ in entropy by only about ${10}^{\ensuremath{-}3}{k}_{B}$ per sphere (all configurations are degenerate in energy). To readily resolve an…
Numerical simulation of the dislocation motion in 2D Frenkel - Kontorova (FK) model in the thermostat shows an unusual dynamical behavior. It appears that ''kink'' regime of dislocation gliding takes place in a certain region of parameters of the model but, in disagreement with the common views about the dislocation m…