Materials Literature
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Phonon-dispersion curves for a series of single-wall carbon nanotubes (SWCNT's) have been obtained by ab initio supercell approach. Force constants are calculated using norm-conserving pseudopotential plane-wave method in the framework of the density-functional theory and local-density approximation. Cumulant force-co…
Both $\mathrm{Cu}$ and $\mathrm{Fe}$ metals, with face-centered cubic (fcc) crystal structures, are nonmagnetic. However, the substitution of $\mathrm{Cu}$ atoms by Fe in the fcc-$\mathrm{Cu}$ lattice leads to the formation of a random solid solution and the appearance of ferromagnetic order, with a value of the magne…
Thio amino acids can be integrated into the backbone of peptides without significantly perturbing their structure. In this contribution we use ultrafast infrared and visible spectroscopy as well as state-of-the-art ab initio computations to investigate the photoisomerization of the trans form of N-methylthioacetamide…
Multistep reactions catalyzed by a covalently immobilized enzyme-cofactor-enzyme system were achieved. Lactate dehydrogenase (LDH), glucose dehydrogenase (GDH), and cofactor NADH were incorporated into two porous silica glass supports. One of the glass supports had pores of 30 nm in diameter, while the other was of 10…
Summary Morphological, geochemical and mineralogical studies were carried out in a representative soil catena of the low‐elevation plateaux of the upper Amazon Basin to interpret the steps and mechanisms involved in the podzolization of low‐activity clay soils. The soils are derived from Palaeozoic sandstones. They co…
Two new homologous series of bent-core compounds have been synthesized. Their mesophase behaviour has been investigated by polarizing microscopy, differential scanning calorimetry, X-ray diffraction, NMR spectroscopy, and by dielectric and electro-optical measurements. It was found that, with one exception, all the ch…
Monte Carlo simulations were performed to study the adsorption and orientation of antibodies on charged surfaces based on both colloidal and all-atom models. The colloidal model antibody consists of 12 connected beads representing the 12 domains of an antibody molecule. The structure of the all-atom antibody model was…
We have applied nanoporous anodic alumina films as planar optical waveguides and studied changes in the effective dielectric constants of these thin films due to various processes occurring in the pores. We demonstrate the potential of the porous anodic alumina waveguide for high sensitivity (bio-) chemical sensing wi…
Spinel-type ferrites are widely used in practical applications. A fascinating property of Zn-Ni ferrites which reveals a direction for application is reported. A large negative magnetoresistance effect has been observed in ZnFe2O4 and Ni substituted Zn1−xNixFe2O4 ferrites of spinel structure. These materials are eithe…
Gravitomagnetic charge that can also be referred to as the dual mass or magnetic mass is the topological charge in gravity theory. A gravitomagnetic monopole at rest can produce a stationary gravitomagnetic field. Due to the topological nature of gravitomagnetic charge, the metric of spacetime where the gravitomagneti…
We calculate the photoemission spectral function of the one-dimensional Hubbard model away from half filling using the dynamical density-matrix renormalization group method. An approach for calculating momentum-dependent quantities in finite open chains is presented. Comparison with exact Bethe ansatz results demonstr…
Recently introduced constitutive equations for the rheology of dense, disordered materials are investigated in the context of stick-slip experiments in boundary lubrication. The model is based on a generalization of the shear transformation zone (STZ) theory, in which plastic deformation is represented by a population…
We report the results of a thorough study of the magnetocaloric effect (MCE) in a La0.7Ca0.3MnO3 single crystal, which undergoes a first-order magnetic phase transition at ∼227 K. The magnetic entropy change ΔSM and the adiabatic temperature change ΔTad reach, respectively, ∼6.42 J/kg K and 4.76 K for ΔB=5 T and even…
A detailed study on the influence of particle size varied from 8 nm to 53 nm on the structural and magnetic properties of La0.8Sr0.2MnO3−δ has been done. The unit cell volume increases and the microstrain in the compound shows peak formation as the particle size decreases. Nano particles of La0.8Sr0.2MnO3−δ exhibit su…
For modeling the magnetic properties of concentrated and diluted magnetic semiconductors, we use the Kondo-lattice model. The magnetic phase diagram is derived by inspecting the static susceptibility of itinerant band electrons, which are exchange coupled to localized magnetic moments. It turns out that rather low ban…
We investigate the applicability of the synchronous relaxation (SR) algorithm to parallel kinetic Monte Carlo simulations of simple models of thin-film growth. A variety of techniques for optimizing the parallel efficiency are also presented. We find that the parallel efficiency is determined by three main factors $-$…
An ionically controlled nanoscopic molecular gate has been developed by using functionalized mesoporous materials. The system shows that control of mass transport at nanometric scale can be achieved by using suitable rigid solids and pH-active molecules. The design principle suggests new perspectives in the search of…
In this Letter, we report on the densest-known packings of congruent ellipsoids. The family of new packings consists of crystal arrangements of spheroids with a wide range of aspect ratios, and with density phi always surpassing that of the densest Bravais lattice packing phi approximately equal to 0.7405. A remarkabl…
The optical and morphological characteristics of vanadium dioxide nanoparticles and thin films during their nucleation and growth phases have been studied by correlating the temperature and sharpness of the transition with the processing parameters. Thermal annealing results in grain growth and improved crystallinity.…
We study experimentally the behaviour of a drop deposited on a conical fibre. It is shown that for wetting liquids, such a drop spontaneously moves towards the region of lower curvature. The driving force is measured and shown to be a gradient of Laplace pressure, which allows us to characterize the dynamics of these…