Materials Literature
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The thermoelectric properties near ambient temperature of half-Heusler alloys based on LnPdSb, where Ln=Ho, Er, and Dy are reported. The Seebeck coefficients are large, between 60 and 250 μV/K, and the materials are p type. The resistivities are between 0.6 and 20 mΩ cm. Thermal conductivities are between approximatel…
Light scattering which peaks in the plane of light polarization is observed in glass pumped by intense laser radiation. The phenomenon is interpreted in terms of the angular distribution of photoelectrons in isotropic solid state materials.
We have studied the Cu core level photoemission spectra in the Anderson impurity model for cuprates with different Cu-O networks, dimensionalities (zero, one, two and three) and Cu valencies (two and three). We focus on the shape of the leading peak and obtain very good agreement with the experimental data. We show ho…
We present a calculation of the Hg phonon self-energy for a model of A3C60 (A= K, Rb). The orientational disorder of the C60 molecules is included, and the lowest order self-energy diagram is considered. The calculations illustrate that due to the violation of momentum conservation by the orientational disorder, Raman…
We report the first microscopic (RPA) calculation of the van der Waals interaction between two self-consistent jellium metal slabs---from asymptotic separations down to full contact. We also present the first test of a recently proposed seamless van der Waals density functional, which reproduces the RPA results satisf…
Recent theoretical advances have established that the electric polarization in an insulating crystal can be viewed as a multivalued quantity that is determined by certain Berry phases associated with the occupied Bloch bands. The application of this approach to the computation of piezoelectric coefficients is not enti…
We propose an efficient linear-scaling time-dependent method for calculating nonlinear response function, and study the size effects in non-degenerate two photon absorption spectra of Si nanocrystallites by using semi-empirical pseudopotentials.
A protein isolated from a biosilica (shown schematically) catalyzes alkoxysilane polycondensation at neutral pH values and low temperatures. Replacement of either of two specific side chain functionalities (Ser-26 and His-165) significantly diminishes catalysis, supporting a reaction mechanism analogous to that of a w…
In order to clarify the origin of the hysteresis between freezing and melting of pore water, we performed x-ray diffraction measurements of water confined inside the cylindrical pores of seven kinds of siliceous MCM-41 (a member of ordered mesoporous materials denoted by Mobil Oil researchers) with different pore radi…
The mechanical toughness of modified ABS (acrylonitrile–butadiene–styrene) alloys was evaluated using Izod impact, tensile, and compact tension tests. The modified ABS alloys contain 20 wt % of styrene–N-phenylmaleimide (SMI) that is added to enhance the thermal resistance of the ABS. In this study, the effects of mat…
A hydrogenated styrene–butadiene copolymer (HSBR) was prepared by a diimide reduction of SBR in the latex stage. The influence of the styrene content on various reaction parameters, namely, time, temperature, and concentration of the reactants and the catalyst was studied. A comparatively lower temperature, longer tim…
This article deals with the characterization of blend films obtained by mixing silk fibroin (SF) and polyacrylamide (PAAm). The DSC curves of SF/PAAm blend films showed overlapping of the main thermal transitions characteristic of the individual polymers. The exothermic peak at 218°C, assigned to the β-sheet crystalli…
Our observations on whole mounted major ampullate silk glands suggested that the thread is drawn from a hyperbolic die using a pre–orientated lyotropic liquid crystalline feedstock. Polarizing microscopy of the gland's duct revealed two liquid crystalline optical textures: a curved pattern in the feedstock within the…
The substituted tetraphenylporphyrins palladium 5,10,15,20-tetrakis(2‘,3‘,5‘,6‘-tetrafluorophenyl-4‘-octadecyloxyphosphonic acid)porphyrin ( 16 ) and palladium 5,10,15-tris(2‘,6‘-dichlorophenyl)-20-(2‘,3‘,5‘,6‘-tetrafluorophenyl-4‘-octadecyloxyphosphonic acid)porphyrin ( 17 ) have been studied as Langmuir monolayers a…
The frequency-dependent polarizabilities of a number of halogen-substituted benzene species are computed using ab-initio methods. The polarizability tensors are analyzed for possible additive properties. Simple group or atom additivity trivially fails (the overall polarizability is not a sum of isotropic atom or group…
The determination of low-Z elements such as carbon, nitrogen, and oxygen in atmospheric aerosol particles is of interest in studying environmental pollution. Conventional electron probe microanalysis technique has a limitation for the determination of the low-Z elements, mainly because the Be window in an energy-dispe…
It is known in the literature that InGaP alloy synthesized within a certain range of growth temperature (520 - 720 degree Centrigrade) shows Cu-Pt crystal ordering. This ordering reduces the band gap energy . It was predicted that the ordering induced modification of energy levels of InGaP lowers its conduction band e…
We present an attempt to build up a new two-body effective potential for hydrogen fluoride, fitted to theoretical and experimental data relevant not only to the gas and liquid phases, but also to the crystal. The model is simple enough to be used in Molecular Dynamics and Monte Carlo simulations. The potential consist…
A 34-membered macrocyclic ligand with six pendant carboxymethyl groups has been synthesized by the coupling of two diethylenetriaminepentaacetate (dtpa) and two 1,4-diaminobutane units: the macrocycle is 2,12,19,29-tetraoxo-1,4,7,10,13,18,21,24,27,30-decaaza-4,7,10,21,24,27-cyclotetratriacontanehexaacetic acid, abbrev…
A novel strategy for the maximum production of a biodegradable copolymer, poly(3-hydroxybutyric-co-hydroxyvaleric) acid, P(HB-co-HV), was developed, based on the kinetic parameters obtained from fed-batch culture experiments of Alcaligenes eutrophus. The effects of various culture conditions such as mole ratio of carb…