Materials Literature
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To study digital Mott insulator LaTiO3 and band insulator SrTiO3 interfaces, we apply correlated band theory within the local density approximation including a Hubbard U to (n, m) multilayers, 1<or=n, m<or=9 using unit cells with larger lateral periodicity. If the on-site repulsion on Ti is big enough to model the Mot…
Two synthetic routes for the benzannulation in the "bay"-region of rylenebis(dicarboximide)s leading to new pi-system-expanded chromophores are described. The first route follows a two-step approach: Suzuki coupling of bromo-substituted perylenebis(dicarboximide) with 2-bromophenylboronic acid, followed by palladium-c…
Cell‐cycle effects in phytoplankton have both general and specific influences over a variety of cellular processes. Understanding these effects requires that the majority of cells in a culture are progressing through the same cell‐cycle stage, which requires synchronous growth. We report the development of a silicon s…
Water plays a central role in biological systems and processes, and is equally relevant in a large range of industrial and technological applications. Being the most important natural solvent, its presence uniquely influences biological function as well as technical processes. Because of their importance, aqueous solu…
The solid-state β→β + α transformation in titanium alloys leads to complex microstructures with feature spanning across a range of length scales. In order to develop a better understanding of the microstructural evolution process, a detailed characterization of the crystallography of α laths formed from the β phase in…
The friction between concentric carbon nanotubes sliding one inside the other has been widely studied and simulated, but not so far using external force as the driving variable. Our molecular dynamics (MD) simulations show that as the pulling force grows, the sliding velocity increases by jumps and plateaus rather tha…
Intersubband response in a superlattice subjected to a homogeneous electric field (biased superlattice with equipopulated levels) is studied within the tight-binding approximation, taking into account the interplay between homogeneous and inhomogeneous mechanisms of broadening. The complex dielectric permittivity is c…
A direct correlation is seen between the coercive field (HC) and the magnetic-field-dependent resistivity (MR) in SrMnO3/SrRuO3 superlattices of perpendicular magnetic anisotropy. The magnetoresistance shows a sharp jump at Hc for in-plane current and the out-of-plane magnetic field. Both HC and high-field MR also osc…
We show that the third-order optical response of disordered linear J-aggregates can be calculated by considering only a limited number of transitions between (multi-) exciton states. We calculate the pump-probe absorption spectrum resulting from the truncated set of transitions and show that, apart from the blue wing…
The centric diatom Thalassiosira pseudonana Hasle et Heimdal and the pennate diatom Phaeodactylum tricornutum Bohlin possess genes with translated sequences homologous to high‐affinity ferric reductases present in model organisms. Thalassiosira pseudonana also possesses putative genes for membrane‐bound ferroxidase (…
Recycling of polystyrene can be done by mechanical, chemical, and thermal methods. High impact polystyrene is a promising material for mechanical recycling since its properties are not extremely affected even after multiple processing of upto nine cycles. Production of liquid products and gaseous products are highly d…
In a material, the existence and coexistence of phases with very different magnetic and electronic properties is both unusual and surprising. Manganites in particular capture the imagination because they demonstrate a complexity that belies their chemically single-phase nature. This complexity arises because the magne…
X-ray diffraction was demonstrated from shock-compressed polycrystalline metal on nanosecond time scales. Laser ablation was used to induce shock waves in polycrystalline foils of Be, 25 to 125 microns thick. A second laser pulse was used to generate a plasma x-ray source by irradiation of a Ti foil. The x-ray source…
The results of investigation of kinetics of nanopores filling into membranes from aluminum oxide (pore diameter - 200 nm, porosity ~ 50%) at electrodeposition of copper and silver are described. It is shown, that at identical quantity of electricity passed through solutions, the degree of pores filling by metal (avera…
Two-component submonolayer growth on triangular lattice is qualitatively studied by kinetic Monte Carlo techniques. The hopping barrier governing surface diffusion of the atoms is estimated with an improved formula and using realistic pair interaction potentials. Realistic degrees of freedoms enhancing the surface dif…
A two dimensional amorphous material is modeled as an assembly of mesoscopic elemental pieces coupled together to form an elastically coherent structure. Plasticity is introduced as the existence of different minima in the energy landscape of the elemental constituents. Upon the application of an external strain rate,…
Composition dependence of crystallographic features of α″-martensite in Ti–Nb-based alloy was systematically examined in Ti–Xmol%Nb–3mol%Al alloy, where X is 10–30. One of the lattice deformation strains, η3, became 0 at the critical Nb concentration of 23 mol% and the sign of η3 changed across the composition. The ph…
The objective of this research is to use atomistic simulations to investigate the energy and structure of symmetric and asymmetric Σ3 ⟨110⟩ tilt grain boundaries. A nonlinear conjugate gradient algorithm was employed along with an embedded atom method potential for Cu and Al to generate the equilibrium 0 K grain bound…
Nanostructured biomaterials have tremendous potential for tissue engineering. However, the performance and integration of the nanomaterials in vivo are not well understood. A challenge in vascular tissue engineering is to develop optimal scaffolds and establish expandable cell sources for the construction of tissue-en…
Optical absorption, photoluminescence, thermoluminescence (TL) and photostimulated luminescence (PSL) studies on RbI:Tb(3+) crystals irradiated with gamma-rays is reported. Photoluminescence of these crystals exhibits characteristic Tb(3+) emissions, due to transitions from the (5)D(3) and (5)D(4) levels to various le…