Materials Literature
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We studied the surface wave and reflective properties of two types of metamaterials, one that combines a material with dispersive μ with a metal film, and another that possesses arbitrary ε and μ. Generic surface wave phase diagrams with respect to ε and μ are given. For the first type, we find that the simultaneous a…
We report a polarized fluorescence recovery after photobleaching (pFRAP) method to measure the rotational dynamics of fluorescent colloids over a wide dynamic range. The method is based on the polarization anisotropy in the fluorescence intensity, generated by bleaching of fluorescently labeled particles with an inten…
We have investigated atomistic processes of nucleation and crystallization in supercooled liquid silicon (Si) based on molecular-dynamics (MD) simulations using the Tersoff potential. MD cells composed of up to 8192 Si atoms were heated to produce melted Si, and then melted Si was quenched under various supercooled co…
A theoretical investigation of the properties of the Si3C4, Si4C3, and Si4C4 clusters is reported. Systematic explorations of the potential energy surfaces of the three clusters are performed using a combination of ab initio molecular dynamics and local energy minimizations using density functional theory. A large num…
First-principles-based kinetic Monte Carlo simulation was used to track the elementary surface transformations involved in the catalytic decomposition of NO over Pt(100) and Rh(100) surfaces under lean-burn operating conditions. Density functional theory (DFT) calculations were carried out to establish the structure a…
The polarized optical reflectance spectra of the quasi-two-dimensional organic correlated electron system $\ensuremath{\kappa}\ensuremath{-}(\mathrm{BEDT}\ensuremath{-}\mathrm{TTF}{)}_{2}\mathrm{Cu}[\mathrm{N}(\mathrm{CN}{)}_{2}]Y,$ $Y=\mathrm{Br}$ and Cl are measured in the infrared region. The former shows the super…
A uniform array of a new type of heterojunction formed between carbon nanotubes and silicon is studied. The heterojunction array was controllably grown with parallel and uniform nanotubes vertically aligned to the silicon substrate using a self-organized nanopore array template. The pronounced rectifying characteristi…
To clarify different phase formations of diamond nanocrystals upon pulsed-laser-induced liquid-solid interfacial reaction (PLIIR), we preformed the first-principles investigation of the total energy of cubic and hexagonal diamond. Interestingly, by a comparison of the structure stabilities of cubic and hexagonal diamo…
In this paper we study the magnetocaloric effect in the Laves phase pseudobinary $\mathrm{Er}({\mathrm{Co}}_{1\ensuremath{-}c}{\mathrm{Ni}}_{c}{)}_{2}.$ We use a theoretical model, considering both the localized spins of rare-earth ions and the itinerant electrons of the transition elements. The two-body interactions…
We studied two bidimensional square gratings of square holes formed in photoresist layers deposited on silicon wafers, both by classical spectroscopic ellipsometry (1.5-4.5-eV spectral range) at a constant incidence angle (70.7 degrees) and by angle-resolved Mueller polarimetry at a constant wavelength (532 nm). The g…
The electronic band structure, metallization, structural phase transition and superconducting transition of silver chloride (AgCl) and silver bromide (AgBr) under pressure are studied using the TB-LMTO method. The ground state properties and bandgap values are compared with the experimental and previous theoretical re…
The correction of order $1/\ensuremath{\omega}$ to the high-energy total ${e}^{+}{e}^{\ensuremath{-}}$ photoproduction cross section in the electric field of a heavy atom is derived with the exact account of this field; $\ensuremath{\omega}$ is the photon energy. The consideration is based on the use of the quasiclass…
The following dimolybdenum complexes containing −OSi(O t Bu) 3, −O 2 P(O t Bu) 2, and −OB[OSi(O t Bu) 3 ] 2 ligands have been synthesized and structurally characterized: Mo 2 (NMe 2 ) 4 [OSi(O t Bu) 3 ] 2 ( 1 ), Mo 2 (O t Bu) 4 [OSi(O t Bu) 3 ] 2 ( 2 ), Mo 2 (NMe) 4 {OB[OSi(O t Bu) 3 ] 2 } 2 ( 3 ), Mo 2 (NMe 2 ) 2 [μ-…
We report magnetic and magneto-optical measurements of two ${\mathrm{Mn}}_{12}$ single-molecule magnet derivatives isolated in organic glasses. Field-dependent magnetic circular dichroism (MCD) intensity curves (hysteresis cycles) are found to be essentially identical to superconducting quantum interference device mag…
A computational methodology is presented that is designed to model, at a coarse-grained level, the mesoscale dynamics of fluids and potentially other forms of soft matter. Within a molecular dynamics simulation, "ghost" particles of a specific size, corresponding to the fundamental length-scale of coarse-graining, are…
Titanium dioxide (TiO 2 ) films were deposited by r.f. reactive magnetron sputtering using four different sputtering gases, Ne, Ar, Kr, or Xe at a total gas pressure of 1.0 or 3.0 Pa. In the case of 1.0 Pa, the content of rutile phase markedly decreased and anatase content increased with increasing atomic mass of the…
The distribution of neutral copper oxide clusters in the gas phase created by laser ablation is detected and characterized through time-of-flight mass spectroscopy (TOFMS). The neutral copper oxide clusters are ionized by two different approaches: Multiphoton absorption of 355 and 193 nm radiation; and single photon a…
We report a study of the effect of hydrostatic pressure up to 9 kbar on selected compounds of the Gd5(SixGe1−x)4 series (x = 0.8, 0.45, 0.1) by means of ac magnetic susceptibility, compressibility, and linear thermal expansion measurements. The pressure-induced increase of the transition temperatures at the second-ord…
Zirconium oxide clusters are generated in the gas phase by laser ablation of the metal into a flow of ca. 5% O2/95% He at 100 psig and supersonic expansion into a vacuum chamber. Mass spectra of neutral gas phase zirconium oxide clusters are obtained through photoionization at three different laser wavelengths: 118, 1…
This paper reviews some of the progress made on wellbore stability modeling during the last two decades. First we demonstrate the improvement made on mud-pressure predictions by moving from analytic elastic solutions to finite element elastoplastic modeling. We show this progress, presenting a finite element model bas…