Materials Literature
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The response of fullerenes and carbon nanotubes is investigated by representing each carbon atom by its atomic polarizability. The polarization of each carbon atom produces an induced dipole that is the result of the interaction with a given external field plus the mutual interaction among carbon atoms. The polarizabi…
The recent identification of the dysprosium titanate compound $Dy_2 Ti_2 O_7$ as a ``Spin-Ice'', i.e. the spin analog of regular entropic ice of Pauling, has created considerable excitement. The ability to manipulate spins using magnetic fields gives a unique advantage over regular ice in these systems, and has been u…
Binary collision simulations of high-fluence 1 keV Si+ ion implantation into 8-nm-thick SiO2 films on (001)Si were combined with kinetic Monte Carlo simulations of Si nanocrystal (NC) formation by phase separation during annealing. For nonvolatile memory applications, these simulations help to control the size and loc…
Experimental and theoretical studies of fission of doubly-charged Li, Na, and K clusters in the low fissility regime reveal the strong influence of electronic shell effects on the fission products. The electronic entropy controls the quenching of the shell effects and the competition between magic-fragment channels, l…
New copper(II) complexes of the cyclic trinuclear type with 1,2,4-triazole ligands, [Cu(3)(mu(3)-OH)(aaat)(3)(H(2)O)(3)](NO(3))(2).H(2)O [Haaat = 3-acetylamino-5-amino-1,2,4-triazole] (1) and ([Cu(3)(mu(3)-OH)(aat)(3)(mu(3)-SO(4))].6H(2)O)(n) [Haat = 3-acetylamino-1,2,4-triazole] (2), have been prepared and characteri…
Many systems of both theoretical and applied interest display multi-affine scaling at small length scales. We demonstrate analytically and numerically that when vertical discontinuities are introduced into a self-affine surface, the surface becomes multi-affine. The discontinuities may correspond to surface overhangs…
We study the physical properties of MnAs under strain by using accurate first-principles pseudopotential calculations. Our results provide new insight on the physics of strained multilayer that are grown epitaxially on different lattice mismatched substrates and which are presently of interest for spintronic applicati…
An electrochemical etching technique has been developed that provides continuous control over the porosity of a porous silicon layer as a function of etching depth. Thin films with engineered porosity gradients, and thus a controllable gradient in the index of refraction, have been used to demonstrate broadband antire…
We have calculated the complete anisotropic crystal-melt interfacial free energy of aluminum, using molecular dynamics simulations of the interfaces in equilibrium. The interfacial free energy, $\ensuremath{\gamma}(\mathbf{n}^),$ can be expressed in terms of two anisotropic parameters, $\ensuremath{\epsilon}=1.2$% and…
We report on catalyst-driven molecular beam epitaxy of ZnO nanorods. The process is site specific, as single crystal ZnO nanorod growth is realized via nucleation on Ag films or islands that are deposited on a SiO2-terminated Si substrate surface. Growth occurs at substrate temperatures on the order of 300–500 °C. The…
At microwave frequencies, hollow metallic waveguides behave in certain aspects as a "one-dimensional plasma." This feature will be advantageously used for simulating the propagation of electromagnetic (EM) waves in left-handed metamaterials provided the hollow waveguide is periodically loaded with split ring resonator…
INTRODUCTION. Historical Aspects. Definitions, Terminology and Classification of Pore Structures. GENERIC METHODS FOR THE CHARACTERIZATION OF POROUS MATERIALS. Modelling of Ideal Pore Structure. Fractal Analysis. Microscopy and Stereology. Scattering and Diffraction Methods. Adsorption from Gas Phase. Adsorption from…
Anelastic relaxation behavior of hydrogen atom diffusion in Ni3Al was investigated in single crystal by an inverted torsion pendulum. Two peaks appeared at about 270 K (P0) and 387 K (P1), which were considered to be caused by stress-induced reorientation of the H–H pairs and B–H pairs, respectively.
The mechanism of hydrolysis of the nitrile (N-acetyl-phenylalanyl-2-amino-propionitrile, I) catalyzed by Gln19Glu mutant of papain has been studied by nanosecond molecular dynamics (MD) simulations. MD simulations of the complex of mutant enzyme with I and of mutant enzyme covalently attached to both neutral (II) and…
PURPOSE: To examine the effect of phosphoric acid solution on the anodic oxide film of titanium. MATERIALS AND METHODS: Commercially pure grade 2 titanium specimens were prepared and anodized in phosphoric acid solution at a constant current density (70 A/m2). Specimens were evaluated by means of scanning electron mic…
Grafting of maleic anhydride (MAH) onto metallocene based polyethylene–octene elastomer (POE) was studied in this article. By the results of Fourier transform infrared spectroscopy, proton nuclear magnetic resonance spectroscopy, and differential scanning calorimetry (DSC), it was confirmed that POE was grafted with M…
Poly(ethylene glycol) (PEG) was employed as templating agent for the synthesis of porous silica. The effect of PEG chain length and of the PEG/silica ratio on textural properties (fractality, pore size, and pore distribution) were investigated by monitoring the development of silica-PEG intermediates using ultrasmall…
Abstract The melting and crystallization behavior of nonreactive and reactive melt‐mixed blends of polypropylene and carboxylic‐modified polyamide (mPA) as the dispersed phase was investigated. It was found that the size of the mPA particles decreases and the crystallization behavior of the mPA particles changes in de…
Abstract Pressure‐sensitive adhesives (PSAs) composed of a styrene–isoprene–styrene triblock copolymer and a midblock‐associating resin were prepared via solvent and hot‐melt coating. The formulations and thermal histories up to the point of coating were identical, yet significant differences in the properties were ob…
An extraordinary high Al3+ ion conducting solid electrolyte was realized by successfully stabilizing the NASICON-type structure which has a suitable three-dimensional Al3+ ion pass way. Because the Al3+ ion conductivity reaches the ion conductivity region of the well-known and commercially available oxide anion conduc…