Materials Literature
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Recently, the breakup of spiral and concentric ringed spherulites has been observed experimentally in isothermal crystallization of poly(vinylidene fluoride) in its blends with ethylene vinyl acetate copolymer. To elucidate the phenomenon of spiral breakup in polymer spherulites, a theoretical simulation has been unde…
A ``minimal model'' of the Kondo-lattice type is used to describe a competition between the localization and metallicity in doped manganites and related magnetic oxides with Jahn-Teller ions. It is shown that the number of itinerant charge carriers can be significantly lower than that implied by the doping level $x$.…
A density functional theory of two-dimensional freezing is presented for a soft interaction potential that scales as inverse cube of particle distance. This repulsive potential between parallel, induced dipoles is realized for paramagnetic colloids on an interface, which are additionally exposed to an external magneti…
We report on a combined experimental and theoretical carbon and nitrogen K-edge near-edge x-ray absorption fine structure investigation on condensed metal-free phthalocyanine (H2Pc). Based on the results from improved virtual orbital calculations, all resonances in the experimental high-resolution data can be assigned…
Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Fatigue damage in face-centred cubic crystals by dislocation substructuring and crack growth was computationally simulated at the atomic scale. Single-crystal copper specimens with approximately 200 000 atoms and an initial crack were subjected to fatigue loading with a constant strain amplitude of ϵ max =0.01 and a l…
The magnetization of single crystal ${\mathrm{Gd}}_{5}{\mathrm{Ge}}_{4}$, which in a zero magnetic field orders antiferromagnetically at $128\phantom{\rule{0.3em}{0ex}}\mathrm{K}$, indicates a reversible spin-flop transition when the magnetic field is along the $c$ axis and the absence of similar transformations when…
Electrochemical polymerization of N-vinyl carbazole (VC) on carbon nanotube (CNT) films was studied by cyclic voltammetry (CV) in LiClO4/acetonitrile solutions. Comparing the cyclic voltammograms recorded on a blank Pt electrode with those obtained when single- or multi-walled carbon nanotube (SWNT or MWNT) films were…
We found that the CutA1 protein, from Pyrococcus horikoshii (PhCutA1), has an extremely high denaturation temperature (T(d)) of nearly 150 degrees C, which exceeds the highest record determined by DSC by about 30 degrees C. To elucidate the mechanism of the ultra-high stability of PhCutA1, we analyzed the crystal stru…
We report the kinetics of photoinduced changes in absorption coefficient, optical band gap, and refractive index of $\mathrm{a}\text{\ensuremath{-}}{\mathrm{As}}_{2}{\mathrm{S}}_{3}$ films by measuring the time evolution of complete transmission spectrum between 400 and $800\phantom{\rule{0.3em}{0ex}}\mathrm{nm}$ at e…
Abstract A series of nonlinear optical chromophores 6 containing a substituted benzothiazole ring have been synthesized and characterized. 1,3‐Benzothiazoles 6 were prepared by treating various formyl derivatives of thienyl compounds with ortho ‐aminobenzenethiol in fair to excellent yields. These in turn were prepare…
We show, using the antiferromagnetic ferroelectric ${\mathrm{BaNiF}}_{4}$ as a model system, that the ``weak'' magnetic order arising from a polar structural distortion in a ferroelectric magnet due to the Dzyaloshinskii-Moriya interaction can be switched by an electric field. We calculate the magnitude of the resulti…
We study magnetic vortex-like excitations lying on a conic space background. Two types of them are obtained. Their energies appear to be linearly dependent on the conical aperture parameter, besides of being logarithmically divergent with the sample size. In addition, we realize a geometrical-like pinning of the vorte…
It is well known that three-dimensional Euclidean space cannot be tiled by regular tetrahedra. But how well can we do? In this work, we give several constructions that may answer the various senses of this question. In so doing, we provide some solutions to packing, tiling, and covering problems of tetrahedra. Our res…
It is shown that magnetic states and field-driven reorientation transitions in synthetic antiferromagnets crucially depend on contributions of higher-order anisotropies. A phenomenological macrospin model is derived to describe the magnetic states of two antiferromagnetically coupled magnetic thin film elements. The c…
A molecular solid C$_{50}$Cl$_{10}$ with possible crystalline structures, including the hexagonal-close-packed (hcp) phase, the face-centered cubic (fcc) phase, and a hexagonal monolayer, is predicted in terms of first-principles calculation within the density functional theory. The stable structures are determined fr…
We demonstrate a detection method for microwave spectroscopy on magnetization reversal dynamics of nanomagnets. Measurement of the nanomagnet anisotropic magnetoresistance was used for probing how magnetization reversal is resonantly enhanced by microwave magnetic fields. We used Co strips of 2 um x 130 nm x 40 nm, an…
A series of molybdenum disulfide intercalation compounds was prepared to study the effect of varying loadings of the samples with intercalated molecules. The molecules, (5,7,7,12,14,14-hexamethyl-1,4,8,11- tetraazacyclotetradeca-4,11-diene) macrocycles, occupy the gallery spaces between the MoS2 layers in a single lay…
A first-principles treatment of the vibrational dynamics of molecular chemisorbates on metal surfaces is presented. It is shown that the mean field quantum evolution of the vibrational position operator is determined by a quantum Langevin equation with an electronic friction. In the mean field limit, the quantum noise…
We solve the Dirac--Bogoliubov--de Gennes equation in an impurity-free superconductor--normal-metal--superconductor junction, to determine the maximal supercurrent ${I}_{c}$ that can flow through an undoped strip of graphene with heavily doped superconducting electrodes. The result ${I}_{c}\ensuremath{\simeq}(W∕L)e{\e…