Materials Literature
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Abstract Rubber‐toughened polystyrene has been extensively studied and is a well‐established technology. However, the use of thermoplastic elastomers to toughen polystyrene (PS) is new and has the potential for further investigations. In the present study, three EVAs (ethylene–vinyl acetate copolymers) with identical…
Abstract As soon as material failure dominates a deformation process, the material increasingly displays strain softening and the finite element computation is significantly affected by the element size. Without remedying this effect in the constitutive model one cannot hope for a reliable prediction of the ductile ma…
In this paper, we attempt to correlate the rate of corrosion at the metal surface with bulk solution properties such as electrical conductance, viscosity, and density. The premise is that the process solution environment within the pipe or refinery equipment controls the severity of the corrosion at the metal surface.…
The crystal structures of orotidine 5'-monophosphate decarboxylases from four different sources have been published recently. However, the detailed mechanism of catalysis of the most proficient enzyme known to date remains elusive. As the ligand-protein interactions at the orotate binding site are crucial to the under…
Reaction of Ir(NO)(PPh3)3 with anhydrous HCl results in addition of 2 equivalents of HCl with formal protonation of the nitrosyl ligand, affording the unusual six-co-ordinate nitroxyl complex cis,trans-IrHCl2(NH=O)(PPh3)2.
Acoustic cavitation considerably enhances the mass transport toward a surface. When suitably fast electrochemical equipment is used, periodic peak currents can be observed. Previous observations attributed these peaks to diffusion inside a thin liquid layer present between the electrode and the bubble (Maisonhaute, E.…
Abstract An Erratum has been published for this article in International Journal for Numerical Methods in Engineering 2002; 55(4):499–501. A new continuum model to describe damage, fragmentation and large deformation of pulverized brittle materials is presented. The multiple‐plane‐microcracking (MPM) model, developed…
Complexation mechanism, binding properties and thermodynamic parameters of supramolecular chirality induction in the achiral host molecule, syn (face-to-face conformation) ethane-bridged bis(zinc porphyrin), upon interaction with chiral monoamine and monoalcohol guests have been studied by means of the UV-vis, CD, (1)…
We have investigated the structure and thermal behavior of nonmolecularly layered silver stearate by using various analytical tools, i.e., X-ray diffraction (XRD), diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy, X-ray photoelectron spectroscopy (XPS), thermal analysis, UV/VIS spectroscopy, and tra…
We have described a one-step, high-yield, nondestructive purification and processing method for multiwalled carbon nanotube (MWNT) containing soot using a conjugated organic polymer host. This host selectively suspends nanotubes relative to impurities. The fraction of available MWNTs suspended can be measured using el…
Abstract Hybrid nanocomposites based on organophillic montmorillonite (MMT) and ethylene–propylene–diene rubber (EPDM) have been prepared by a melt compounding process. From analysis by X‐ray diffraction and transmission electron microscopy, the rubber molecules were found to be intercalated into the galleries of orga…
Purification of single-walled carbon nanotubes by capillary electrophoresis (CE) is demonstrated. Real-time Raman spectroscopy of the separation process and single-wavelength UV/vis detection show the ability of CE to provide high-resolution separations of nanotube fractions with baseline separation. AFM images of col…
Diffusion is often accompanied by a reaction or sorption which can induce temperature inhomogeneities. Monte Carlo simulations of Lennard-Jones atoms in zeolite NaCaA are reported with a hot zone presumed to be created by a reaction. Our simulations show that localised hot regions can alter both the kinetic and transp…
We analyze Ge-related defects in Ge-doped SiO_2 using first-principles density functional techniques. Ge is incorporated at the level of ~ 1 mol % and above. The growth conditions of Ge:SiO_2 naturally set up oxygen deficiency, with vacancy concentration increasing by a factor 10^5 over undoped SiO_2, and O vacancies…
We report direct first-principles density-functional calculations of the piezoelectric tensor $\tensor{d}$ relating polarization to applied stress for the binary compounds AlN, GaN, and InN. The values of $\tensor{d}$ are rather sensitive to the choice of the exchange-correlation functional, and results are presented…
Because the physical interpretation of the spin-polarization of a ferromagnet determined by point-contact Andreev reflection (PCAR) is non-trivial, we have carried out parameter-free calculations of PCAR spectra based upon a scattering-theory formulation of Andreev reflection generalized to spin-polarized systems and…
We introduce a fiber bundle model where the interaction among fibers is modeled by an adjustable stress-transfer function which can interpolate between the two limiting cases of load redistribution, the global and the local load sharing schemes. By varying the range of interaction several features of the model are num…
We identify the W center in self-implanted crystalline Si with the three-membered self-interstitial cluster I_3 on the basis of first-principles density-functional-theory calculations matching all the known experimental signatures of the center (emission energy, extrinsic energy levels, activation energy and dissociat…
Mössbauer spectra of [LFe(II)X](0) (L = beta-diketiminate; X = Cl(-), CH(3)(-), NHTol(-), NHtBu(-)), 1.X, were recorded between 4.2 and 200 K in applied magnetic fields up to 8.0 T. A spin Hamiltonian analysis of these data revealed a spin S = 2 system with uniaxial magnetization properties, arising from a quasi-degen…
MS-325 is a novel blood pool contrast agent for magnetic resonance imaging currently undergoing clinical trials to assess blockage in arteries. MS-325 functions by binding to human serum albumin (HSA) in plasma. Binding to HSA serves to prolong plasma half-life, retain the agent in the blood pool, and increase the rel…