Materials Literature
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Ordered poly(ethylene)-poly(vinylcyclohexane) (PE-PVCH) block copolymers are employed to study the crystallization of tethered PE in confined geometries. The high Tg of the PVCH component of these materials forces PE chains to crystallize in well-defined geometries dictated by the mesophase structure of the block copo…
The structure and morphology of Ag deposits grown at room temperature on high-quality MgO(001) surfaces have been investigated in situ, from 0.2 to 300 equivalent monolayers (ML) of Ag deposited. Surface x-ray diffraction and grazing incidence small angle x-ray scattering parallel and perpendicular to the surface were…
The equilibrium phase behavior of water (nonsolvent)-DMF (solvent)-PVDF system at 25°C was investigated via both theoretical and experimental approaches. Using binary interaction parameters, χij, obtained previously, the theoretical phase boundaries were computed and were found to match closely the measured binodal an…
Recent measurements have shown that the inorganic clathrate Sr8Ga16Ge30 has good thermoelectric properties. This discovery has caused intense experimental activity to synthesize and test other compounds in this class. It has been conjectured that clathrates may be good thermoelectrics if they satisfy several condition…
Steam-exploded fibers from Yellow poplar (Liriodendron tulipifera) wood were assessed in terms of their thermal stability characteristics, their impact on torque during melt processing of a thermoplastic cellulose ester (plasticized CAB) matrix, their fiber–matrix adhesion and dispersion in composites, and their mecha…
A series of shape-memorized crosslinked ester-type polyurethanes (PUs), based on different compositions of 4,4′-diphenyl methane diisocyanate (MDI), poly(butylene adipate) glycol (PBAG) with different molecular weight (MW) and trimethylol propane (TMP), were synthesized. The morphology of samples was investigated by u…
Here we carry out an examination of shape complementarity as a criterion in protein-protein docking and binding. Specifically, we examine the quality of shape complementarity as a critical determinant not only in the docking of 26 protein-protein "bound" complexed cases, but in particular, of 19 "unbound" protein-prot…
The main observed trends in the variations of the ${}^{119}\mathrm{Sn}$ M\"ossbauer isomer shift \ensuremath{\delta} for tin chalcogenides are interpreted in terms of the valence electronic populations, and are related to changes in the Sn local environment. First, the values of the valence electron charge density at…
Here we propose a simple physical model that may universally describe glass-transition phenomena from the strong to the fragile limit. Our model is based on the idea that there always exist two competing orderings in any liquids, (i) density ordering leading to crystallization and (ii) bond ordering favoring a local s…
It is shown that the standard treatment of lubrication effects in many-particle hydrodynamic interactions leads to divergent three-particle contributions to the short-time translational self-diffusion coefficient. To resolve the problem the improved method to account for lubrication is proposed. The translational and…
Understanding of the complex behavior of particles at surfaces requires detailed knowledge of both macroscopic and microscopic processes that take place; also certain processes depend critically on temperature and gas pressure. To link these processes we combine state-of-the-art microscopic, and macroscopic phenomenol…
We discuss a computationally efficient classical many-body potential designed to model the Al-Al interaction in a wide range of bonding geometries. We show that the potential yields results in excellent agreement with experiment and ab initio calculations for a number of bulk and surface properties, among others for s…
In order to study the magnetic excitation behaviors in colossal magnetoresistance manganites, a magnon-phonon interacting system is investigated. Sudden broadening of magnon linewidth is obtained when a magnon branch crosses over an optical phonon branch. Onset of the broadening is approximately determined by the magn…
The band gap energy as well as the possibility of cross luminescence processes in alkaline-earth dihalide crystals have been calculated using the ab initio Perturbed-Ion (PI) model. The gap is calculated in several ways: as a difference between one-electron energy eigenvalues and as a difference between total energies…
The electrical properties of LiNbO3 ceramic pellets were investigated by impedance spectroscopy in the temperature range of 450–800 °C. Impedance data are presented in the Nyquist plot which, in addition to the separation of grain and grain boundary contributions, allows the determination of the relaxation frequency o…
In this article, we show how the well-known one-phonon confinement model can be improved to determine the diameter of silicon nanocrystalline spheres from the optical phonon wave-number shift, even using a physical-meaning weighting function. We show that the fundamental parameter is the knowledge of the phonon disper…
Measurements by atomic force microscopy are reported for (100) and (110) surfaces of ${\mathrm{SrTiO}}_{3}$ monocrystals prepared with different oxidizing and reducing conditions at elevated temperatures (800--1000 \ifmmode^\circ\else\textdegree\fi{}C). The morphology of the surfaces turns out to be drastically altere…
Large wavelength shifts have been measured in the reflectivity spectra of Bragg mirrors etched in porous silicon after exposure of the mirrors to vapor from organic solvents. The shift in the Bragg wavelength of the mirror arises from refractive index changes, induced by capillary condensation of the vapor in the meso…
We have studied systematically the chemical trends of the band-gap pressure coefficients of all group IV, III-V, and II-VI semiconductors using first-principles band-structure method. We have also calculated the individual ``absolute'' deformation potentials of the valence-band maximum (VBM) and conduction-band minimu…
1 H NMR spectra for solutions prepared by dissolution of [CpCr(CO) 3 ] 2 and [Cp*Cr(CO) 3 ] 2 in toluene in the temperature range 190−390 K are interpreted in terms of thermodynamic and kinetic parameters for dissociation of the diamagnetic dimers into the paramagnetic monomers CpCr(CO) 3 and Cp*Cr(CO) 3 . There is no…