Materials Literature
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Ab initio calculations of the electronic energy loss of ions moving in aluminum crystal are presented, within linear-response theory, from a realistic description of the one-electron band structure and a full treatment of the dynamical electronic response of valence electrons. For the evaluation of the density-respons…
We study electronic properties of solids with correlated d electrons which could be described by a multiband Hubbard Hamiltonian in the weak-interaction case, $U/w<1$. The one-electron part of the many-body Hamiltonian is described by a tight-binding LMTO method. The many-body part is treated by non-selfconsistent FLE…
We propose a consistent treatment of the applied external stress on a two-dimensional dislocation systems by using the analogy between our model and the layered superconductors. Using the results of a mathematically rigorous, real-space renormalization-group (RG) calculations in the latter model we extend the original…
The momentum and energy dependence of the matrix elements for direct and indirect transitions across the band gap is studied both theoretically and experimentally. The accepted theory for the inelastic scattering cross section of fast electrons by condensed matter is extended to show how the nature of a transition can…
Nanostructured CoFe 2 O 4 particles were prepared by a sonochemical approach, first by preparation of the amorphous precursor powders, followed by heat treatment at relatively very low temperatures. The precursor was prepared by sonochemical decomposition of solutions of volatile organic precursors, Fe(CO) 5 and Co(NO…
The proper development of the musculoskeletal system in the tetrapod limb requires the coordinated development of muscle, tendon and cartilage. This paper examines the morphogenesis of muscle and tendon in the developing avian hind limb. Based on a developmental series of embryos labeled with myosin and tenascin antib…
The optimized geometries of carbon allotropes related to graphite, called graphyne, graphdiyne, graphyne-3, and graphyne-4, as well as their electronic band structures were calculated using a full-potential linear combination of atomic orbitals method in the local-density approximation. These carbon allotropes consist…
A polarization-insensitive, tunable nematic liquid crystal Fabry-Perot filter incorporating polymer liquid crystal waveplates within the Fabry-Perot cavity is presented. The performance of the filter is evaluated experimentally, and theoretically verified using computational modeling techniques. Fabrication tolerance…
Two series of polyestercarbonates containing 1,4-cyclohexylene linkages were designed and synthesized to allow investigation of the relationship between local molecular motion and mechanical properties in these materials. Incorporation of increasing amounts of 1,4-cyclohexylene dicarboxylate linkages enhanced the segm…
Intramolecular electron transfer between Co II (SQ) and Co III (Cat) redox isomers has been investigated for the series of complexes Co(N-N)(3,6-DBQ) 2, where 3,6-DBQ is the semiquinonate or catecholate form of 3,6-di- tert -butyl-1,2-benzoquinone and N-N is tetramethylmethylenediamine (tmmda), tetramethylethylenediam…
No AccessDesign Data for Plastics EngineersOct 1998Mechanical Properties of Solid PolymersNatti Rao, Keith O'BrienNatti RaoSearch for more papers by this author, Keith O'BrienSearch for more papers by this authorhttps://doi.org/10.3139/9783446402447.001SectionsAboutPDF ToolsAdd to FavoritesDownload CitationTrack Citat…
A molecular model suitable for predicting thermodynamic and dynamical properties of polypropylene is developed. A systematic effort is undertaken to improve the representation of the potential. Molecular dynamics (MD) simulations of atactic polypropylene, based on the new potential, indicate good agreement of volumetr…
The thermal decomposition of ammonium tetrathiomolybdate, a process widely used for the preparation of molybdenum sulfides, has been studied in situ for the first time, using combined Mo K edge XAFS and X-ray powder diffraction. Isothermal decomposition at 120 °C produced pure amorphous molybdenum trisulfide ( a -MoS…
The relation between fracture surface morphology and the three-dimensional structure of crack fronts is investigated through direct observation of brittle cracks in gels. A key notion in this investigation is the discontinuity of the crack front, whose advancement creates the fracture surface. We discuss the significa…
It is suggested that the appearance of Jordan blocks in the normal form of the recursion (transfer) matrix is responsible for high temperature superconductivity and related phenomena. Several published observations are discussed to support this idea. The draft of a quantum chemical theory is given for a more complete…
Polycrystalline samples of Ln 1/2 Sr 1/2 MnO 3 (Ln = La, Pr, La 0.33 Nd 0.67, Nd, Nd 0.5 Sm 0.5, Sm, and Gd) and Ln 1/2 Ca 1/2 MnO 3 (Ln = La, Pr, La 0.5 Nd 0.5, Nd, Sm, and Y 0.5 Sm 0.5 ) have been prepared, and structure determinations have been carried out at room temperature using high-resolution synchrotron X-ray…
We have studied the adsorption of two structurally similar forms of hemoglobin (met-Hb and HbCO) to a hydrophobic self-assembled methyl-terminated thiol monolayer on a gold surface, by using a Quartz Crystal Microbalance (QCM) technique. This technique allows time-resolved simultaneous measurements of changes in frequ…
The electronic properties of comb structures composed of one-dimensional atomic wires of alkali elements are studied. The wires and network of wires are assumed to be formed either on substrates or through networks of metal filled nanotubes. A tight-binding model is used to model the electronic structure of the wires…
Photoresponsive cholesteric (Ch) liquid crystals (LCs) showing reflection of visible light were prepared by the addition of chiral molecules and azobenzene molecules in a host nematic LC. The Ch–isotropic phase transition temperature and wavelength of reflected light were controlled by varying the enantiomer excess. S…
The electrical transport properties of have been investigated using complex-plane impedance analysis and dielectric measurements with measurements of four-probe dc conductivities and magnetic susceptibilities. The temperature dependencies of the bulk conductivities obtained by impedance analysis, and dielectric relaxa…