Materials Literature
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A brief review of the SIESTA project is presented in the context of linear-scaling density-functional methods for electronic-structure calculations and molecular-dynamics simulations of systems with a large number of atoms. Applications of the method to different systems are reviewed, including carbon nanotubes, gold…
The thermodynamics of the 2D XY model is formulated by a transfer matrix method and analyzed by a density matrix renormalization group. The finite-size scaling and the beta function of the model are studied by the Roomany-Wyld renormalization group theory. It is found that the 2D XY model has an essential finite-size…
We report the observation of large low-field magnetoresistance (MR) behavior in ${\mathrm{CaCu}}_{3}{\mathrm{Mn}}_{4}{\mathrm{O}}_{12}$ with a perovskite-related $({\mathrm{AA}}^{\ensuremath{'}}_{3}B_{4}{\mathrm{O}}_{12})$ structure. ${\mathrm{Ca}}^{2+}{\mathrm{Cu}}_{3}^{2+}{\mathrm{Mn}}_{4}^{4+}{\mathrm{O}}_{12}$ is…
Liquid phase ultraviolet irradiation in the presence of benzophenone as a photosensitizer and barium hydroxide as a pH controller were used to graft the mixtures of acrylic acid and acrylamide to a polypropylene surface. The surface of the grafted polypropylene samples were characterized by Fourier transform infrared…
The copolymerization in bulk and solution of trimethylene carbonate (TMC) with adipic anhydride (AA) as well as the blending of homopolymers are described. We show experimentally that the components are not copolymerizable but partially miscible, forming a microscopic dispersion without any visible signs of phase sepa…
The copolymerization in bulk and solution of trimethylene carbonate (TMC) with adipic anhydride (AA) as well as the blending of homopolymers are described. We show experimentally that the components are not copolymerizable but partially miscible, forming a microscopic dispersion without any visible signs of phase sepa…
Compatibilizing effects of styrene/rubber block copolymers poly(styrene-b-butadiene-b-styrene) (SBS), poly(styrene-b-ethylene-co-propylene) (SEP), and two types of poly(styrene-b-ethylene-co-butylene-b-styrene) (SEBS), which differ in their molecular weights on morphology and selected mechanical properties of immiscib…
A three-dimensional analysis is performed to investigate the effects of an electric field on the steady deformation and small-amplitude oscillation of a bubble in dielectric liquid. To deal with a general class of electric fields, an electric field near the bubble is approximately represented by the sum of a uniform f…
Diffractive elements with polarization multiplexing for the visible spectral region are demonstrated. The polarization-multiplexing property of the element is based on the polarization-dependent transmission characteristics of metal-stripe subwavelength period gratings. The proper dimensions of these gratings are esti…
Ability of copper/cupric compound mixtures to remove iodide from solution was investigated to predict sorption of radioactive iodine in the environment and to assess their use in a nuclear reprocessing method. Thermodynamic calculations were performed to study the stability of such mixtures in solution and to obtain e…
As part of a search for chemically and electrochemically stable ambient temperature molten lithium salt systems, we have investigated the properties of solutions of LiAlCl 4 with various second components. In this paper we review the factors which determine the ambient temperature conductivity and report results for t…
Octanuclear (THF)(8)Ln(8)S(6)(SPh)(12).xTHF clusters (Ln = lanthanide ion) can be isolated from the reactions of Ln(SPh)(3) with elemental S. Complexes have been isolated successfully for Ln = Ce (1), Pr (2), Nd (3), Sm (5), Gd (6), Tb (7), Dy (8), Ho (9), and Er (10). Only the Ce and Sm compounds are intensely colore…
Solution and interfacial properties of water-soluble hybrid linear−dendritic polyether copolymers are investigated by static and dynamic surface tension measurements and adsorption experiments on polymeric substrates. The results obtained show that the block copolymers are able to form mono- and multimolecular aggrega…
Crystals of C(64)H(32)N(16)YbI(2) and C(64)H(32)N(16)AsI(2) were grown directly in the reaction of ytterbium or arsenic powder with 1,2-dicyanobenzene under a stream of iodine at 200 degrees C. Both partially oxidized phthalocyanine complexes crystallize in the P4/mcc space group of the tetragonal system with one mole…
The characteristics and development of ceramic fiber and ceramic matrix composites(CMCs) prepared by polymer precursor pyrolysis have been reivewed. By analyzing the requirements for ceramic matrix oriented precursors, suitable physical/chemical properties, and the structural characteristics were proposed. The disadva…
The novel polyoxometalate [H(2)PW(9)Ni(4)O(34)(OH)(3)(H(2)O)(6)](2)(-) (1) has been synthesized and characterized by IR spectroscopy, polarography, elemental analysis, and magnetic measurements. An X-ray single-crystal analysis was carried out on Cs(2)[H(2)PW(9)Ni(4)O(34)(OH)(3)(H(2)O)(6)].5H(2)O, which crystallizes i…
Rheological and intensity (ILS) and dynamic light scattering (DLS) experiments were performed on semidilute aqueous mixtures of various compositions of oppositely charged and hydrophobically modified polyelectrolytes. The associative phase separation usually observed when mixing oppositely charged polyelectrolytes is…
First studies of the ternary system SnSe-Bi(2)Se(3) developed in 1960s and 1970s have revealed the existence of a nonstoichiometric trigonal phase with a wide range of compositions. In this study, an almost stoichiometric phase, corresponding to the composition SnBi(4)Se(7), has been identified and isolated. The struc…
Five model compounds (U u, U s, DPT, DMT, and MB) and two liquid crystalline poly(ester−urethane)s with inherent urethane and internal and external ester groups were prepared to monitor the hydrogen-bond (H-bond) interactions of urethane−urethane and urethane−ester (including internal and external esters). The model c…
Single-crystal films are essential for devices because the intrinsic properties of the material, rather than its grain boundaries, can be exploited. Cubic bismuth oxide has the highest known oxide ion mobility, which makes it useful for fuel cells and sensors, but it is normally only stable from 729 degrees to 825 deg…