Materials Literature
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Crystallization is an important purification process used in a broad range of industries, including pharmaceuticals, foods, and bulk chemicals. In recent years, molecular modeling has emerged as a useful tool in the analysis and solution of problems associated with crystallization. Modeling allows more focused experim…
This study measures the x-ray-absorption spectra of a series of nanodiamond thin films with grain diameters ranging from 3.5 nm to $5\ensuremath{\mu}\mathrm{m}$ at the C $K$-edge using the sample drain current mode at room temperature. Resonance peaks resembling the C $1s$ core exciton are observed. The exciton state…
A theoretical model based on the basic electronic band structure of bulk Bi is developed to predict the dependence of the band structure and thermoelectric properties on nanowire width. By carefully tailoring the Bi wire size and carrier concentration, substantial enhancement in the thermoelectric figure of merit is e…
The present work reports a general method for the calculation of t he polarizability of a truncated sphere on a substrate. A multipole ex pansion is used, where the multipoles are not necessarily localized in the center of the sphere but can freely move on the revolution axis. From the weak formulation of the boundary…
Molecular dynamics simulations were carried out to test the thermodynamic theory of weakly excited, two-dimensional granular systems [Hayakawa and Hong, Phys. Rev. Lett. 78, 2764 (1997)], where granular materials are viewed as a collection of spinless Fermions. We first determine the global temperature T by fitting th…
The magnetoresistance of La2/3Sr1/3MnO3/CeO2 composites is explored as a function of the metal/insulator composition, temperature, and magnetic field. An important enhancement of the low-field magnetoresistance is observed for samples close to metallic percolation threshold. The improved field sensitivity is still fai…
The phase diagram of star polymer solutions in a good solvent is obtained over a wide range of densities and arm numbers by Monte Carlo simulations. The effective interaction between the stars is modeled by an ultrasoft pair potential which is logarithmic in the core-core distance. Among the stable phases are a fluid…
The wide variation in reported cupric hydroxide solubility constants is attributed to the age of the solid, kinetic limitations in approaching equilibrium, and transient formation of basic copper nitrate solids. In situations similar to those where cupric hydroxide solubility constants were determined via precipitatio…
The electro-optical response of colloidal dispersions of rod-shaped gold particles is studied for various aspect ratios (2.6 < L/d < 49; d = 15 nm) by monitoring the absorbance spectra in the visible wavelength regime. The absorbance spectra strongly depend on the degree of orientational order of the rods and the dire…
A microscopic picture of the ``preparation'' of a crystal to the transition to liquid state at the approach to melting temperature is proposed. Basing on simple crystallogeometric considerations and the analysis of the computational results for corresponding anharmonic characteristics an evaluation is given for the ma…
SCALPEL is a tue 4X reduction technology that capabilities on high resolution capabilities from electron beam exposure and high throughput capabilities from projection printing. Current mask blank fabrication for SCALPEL technology use widely available 100 mm, crystalline silicon wafers. The use of 100 mm crystalline…
Water-soluble a-PHB oligomers (from dimer to dodecamer) were synthesized by anionic oligomerization of ( R,S )-β-butyrolactone and characterized by electrospray ionization tandem mass spectrometry (ESI-MS n ). The oligomers were analogous to the degradation products remaining after enzymatic hydrolysis of synthetic hi…
The local Ni II and Mn II magnetization was measured in the two paramagnetic high-spin molecules [Cr{(CN)Ni(tetren)} 6 ](ClO 4 ) 9 (intramolecular ferromagnetic coupling) and [Cr{(CN)Mn(TrispicMeen)} 6 ](ClO 4 ) 9 ·3THF (intramolecular antiferromagnetic coupling) by X-ray magnetic circular dichroism (XMCD). The absorp…
We show that the Adam and Gibbs model of relaxation of liquid and polymeric glass-formers based on the configurational entropy, S c, cannot account for several important experimental facts and phenomenology. These shortcomings include the decrease of the glass temperature when the glass-former is confined in nanometer…
Experiments on the diffusion-limited corrosion of porous copper clusters in thin gap cells containing cupric chloride are reported. By carefully comparing corrosion front velocities and concentration profiles obtained by phase-shift interferometry with theoretical predictions, it is demonstrated that this process is w…
We report here two different methods for preparing thiol-functional polymers. The first method consists of esterifying the hydroxyl-terminated polyesters with a thiol-protected mercaptoacetic acid. The Sangers reagent (2,4-dinitrofluorobenzene) was used to protect the mercaptoacetic acid and was removed with mercaptoe…
For the first time a selenium species has been successfully trapped in the voids of an electroneutral SiO 2 modification, namely, in the porosil decadodecasil 3R (DDR). Raman spectroscopy in combination with theoretical ab initio calculations at the SCF and MP2 levels of theory have been used to assign the observed sp…
This paper presents the first experimental results on Marangoni–Bénard instability in a symmetrical three-layer system. A pure thermocapillary phenomenon has been observed by performing the experiment in a microgravity environment where buoyancy forces can be neglected. This configuration enables the hydrodynamic stab…
Macromolecular Gd(III) complexes may find useful application as contrast agents for magnetic resonance angiography (MRA). Herein two novel systems are reported, namely Gd(DO3ASQ)3-lys16 and Gd(DO3ASQ)30-orn114. Their syntheses are based on the ability of the squaric acid moiety to act as a linker between the DO3A (1,4…
Isotactic poly(1-butene) (PB-1) films, consisting either of crystal form III (solution-grown crystal mat) or I‘ (melt-crystallized film under a high pressure), were drawn uniaxially by tensile draw and solid-state coextrusion in the range of room temperature to 80 °C, below their melting temperatures ( T m = 90−100 °C…