Materials Literature
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${\mathrm{CaTiO}}_{3}$ has a static dielectric constant that extrapolates to a value greater than 300 at zero temperature. We investigate the origin of this large dielectric response on a microscopic level, using first-principles plane-wave pseudopotential density functional theory calculations. The electronic dielect…
Suspensions of magnetic particles with diameters in the nanometer range exhibit longterm sedimentation stability as well as the possibility of magnetic field induced control of their properties and flow. One of the most famous field induced effects is the change of viscosity of the fluids due to the action of magnetic…
A series of low and constant viscosity elastic liquids are constructed and are studied rheologically. Steady shear viscosity and normal stresses, dynamic properties, and an apparent extensional viscosity are measured using well-established techniques. The rheological characteristics of the solution are used to help ex…
Costly deterioration of many roads and highways paved with asphalt generates a growing interest in polymer modified asphalts (PMA). Although asphalt represents only a fraction of asphalt paving mix, it is believed that it has a significant effect on the thermomechanical properties of asphalt pavements. Currently there…
A numerical model of the front of a planar crack propagating between two connected elastic plates is investigated. The plates are modeled as square lattices of elastic beams. The plates are connected by similar but breakable beams with a randomly varying stiffness. The crack is driven by pulling both plates at one end…
Modeling structural and mechanical properties of intermetallic compounds and alloys requires detailed knowledge of their interatomic interactions. The first two papers of this series [Phys. Rev. B $56,$ 7905 (1997); $58,$ 8967 (1998)] derived first-principles interatomic potentials for transition-metal (TM) aluminides…
Hen egg-white lysozyme has been crystallized at slightly alkaline pH using 2-methyl-2,4-pentanediol (MPD) as the precipitant. The crystals are nearly isomorphous to crystals grown at acidic pH using sodium chloride as the precipitant. However, the growth kinetics differ markedly between the two conditions. The major r…
This work attempts to determine how percolation at an equilibrium state is correlated to percolation under experimental conditions. The dynamic process of forming conductive networks in carbon-black (CB)-filled poly(methyl methacrylate) composites was investigated by real-time tracing the time dependence of electrical…
Avian integument is thin, elastic, and loosely attached to the body, giving birds the freedom of movement needed for flight. Its epidermis is both keratinized and lipogenic, and the skin as a whole acts as a sebaceous secretory organ. The skin is covered by feathers over most of the body, but many birds show colored b…
The main aim of SUBGROUPGRAPH is a detailed study of a group–subgroup relation between two space groups, G > H, including the construction of chains of maximal subgroups for G > H for a specified/non-specified index i = |G:H| (the so-called G–H graph), the determination of the number of the different Hk < G, Hk ≅ H…
We report an extensive investigation of the electric dipole moment (μα), static polarizability (ααβ), and hyperpolarizability (βαβγ and γαβγδ) of the water dimer. Calculations were performed at both rigid and relaxed monomer geometries. At the rigid monomer geometry (RIMG), a very large [9s6p6d4f/6s5p3d2 f] basis set…
Nanocrystalline barium titanate particles are prepared by the alkoxide method. The lattice constants are obtained from the electron diffraction patterns for various orientations of single particles in the size range of 15--250 nm in diameter. The present result indicates that the structural change from a tetragonal (f…
We present calculations of energetic, electronic, and vibrational properties of silicon using a nonorthogonal tight-binding (TB) model derived to fit accurately first-principles calculations. Although it was fit only to a few high-symmetry bulk structures, the model can be successfully used to compute the energies and…
The oxide film on magnesium offers considerable surface protection in rural and some industrial environments and the corrosion rate lies between that of aluminum and low carbon steels. Galvanic coupling of magnesium alloys, high impurity content such as Ni, Fe, Cu and surface contamination are detrimental for corrosio…
Colony PCR and semi-nested PCR techniques were employed for screening polyhydroxyalkanoate (PHA) producers isolated from the environment. Three degenerate primers were designed based on multiple sequence alignment results and were used as PCR primers to detect PHA synthase genes. Optimized colony PCR conditions were a…
Rigorous coupled-wave analysis (also called the Fourier-modal method) is an efficient tool for the numerical analysis of grating diffraction problems. We show that, with only a few modifications, this method can be used efficiently for the numerical analysis of aperiodic diffraction problems, including photonic crysta…
Recent studies on two aspects of silica glass as a photonic material will be described. Part A of this review will be focused on structural disorder and structural relaxations in silica glass. With regard to the structural disorder, investigations have been made to improve transparency and to shift the optical absorpt…
Abstract Polyamide 6 nanocomposites (PA6/NC) are novel type of composite materials comprising extremely thin, “nanometer scale” dispersions of smectitic silicate platelets. We prepared such PA6/NC materials via a melt compounding technique using suitably organomodified montmorillonite or hectorite type clays. The high…