Materials Literature
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The effect of the exchange-correlation potential in ab initio electron transport calculations is investigated by constructing optimized effective potentials (OEP) using different energy functionals or the electron density from second-order perturbation theory. We calculate electron transmission through two atomic chai…
Structures were calculated for Mercury, Venus, Earth, the Moon, and Mars, using a core-mantle model and adjusting the core radius to reproduce the observed mass and diameter of each body. Structures were calculated using Fe and basalt equations of state of different degrees of sophistication for the core and mantle. T…
We present a two-dimensional granular model for the mechanical behavior of an ensemble of globular grains, during solidification. The grain structure is produced by a Voronoi tessellation based on an array of predefined nuclei. We consider the fluid flow caused by grain movement and solidification shrinkage in the net…
The irradiation hardening of reactor pressure vessel steels due to the formation of dislocation loops is analyzed. The analysis is based on the original model for the nucleation and subsequent evolution of dislocation loops in irradiated materials. The loop formation in displacement cascades is taken into account, alo…
Chitosan was chemically modified using monochloroacetic acid at various reaction conditions. Chemical structure was confirmed by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and x-ray diffraction (XRD). The carboxymethyl chitosan (CM-chitosan) was prepared at different temperature…
Abstract Novel cage-type mesoporous carbon “carbon nanocage (CNC),” which is prepared as a carbon replica of KIT-5 mesoporous silica, showed a high electrochemical performance as an electrode material, due to the high specific surface area and mesopore volume as well as the sparse carbon network.
The effect of functionalized nickel (Ni) nanoparticles capped with positively charged tetraheptylammonium on cellular uptake of drug quercetin into hepatocellular carcinoma cells (SMMC-7721) has been explored in this study via microscopy and electrochemical characterization as well as MTT assay. Meanwhile, the influen…
Energy spectrum fine structure of triplet two-electron states is investigated theoretically. Spin-orbit interaction induced terms in the effective Hamiltonian of electron-electron interaction are derived for zinc-blende lattice semiconductor nanostructures: quantum wells and quantum dots. The effects of bulk and struc…
This study intends to present some further research in polymer-dispersed liquid crystal (PDLC) systems [1 Drzaic , P. S. ( 1998 ) . Liquid Crystal Dispersions , World Scientific , Singapore , p. 5 . [Google Scholar]]. These PDLC type cells were produced based on a low-cost commercial polymer (PVC) and liquid crystal E…
This study investigates the effect of Cu alloying on electromigration behavior of Ag metallization. Electromigration tests are performed on pure Ag and Ag (1.5% Cu) samples deposited by e-beam evaporation. The experiments show that Ag (Cu) alloy interconnect has superior elctromigration resistance compared to pure Ag…
Metal-based drugs are largely undeveloped in pharmacology. One limiting factor is the systemic toxicity of metal-based compounds. A solid-phase, sequestratable delivery agent for local delivery of metals could reduce systemic toxicity, facilitating new drug development in this nascent area. Amorphous peroxotitanates (…
Abstract BACKGROUND: Silicon‐containing fluoroacrylate copolymers are potential materials for use in the protection of ancient stone buildings. In the work reported in this paper, a new core–shell silicon‐containing fluoroacrylate latex was prepared through grafting of a fluoroacrylate copolymer latex with polysiloxan…
The structure of glasses in the binary system SiO(2)-GeO(2) has been studied by Raman spectroscopy. Our results are consistent with mixing of SiO(2) and GeO(2) tetrahedra. The changes induced by temperature and by pressure on the structure are monitored by in situ measurements on the same mixed glasses. Anomalous temp…
Abstract BACKGROUND: Chemical warfare (CW) agents are highly toxic compounds and have been used in war to produce physical immobilization, so safe and effective ways to detoxify them without endangering human life or the environment is of great concern. One of the important ways to achieve protection against CW agents…
The iron oxides fractions of four major physiographic units obtained from a transect of calcareous materials were studied to assess the effects of key pedogenic processes and local hydrology conditions as well as physiographic units in controlling iron oxides forms in the north-west of Iran. Samples from different hor…
We investigate the isotropic-to-smectic transformation in a fluid of colloidal hard rods using computer simulations. At high supersaturation, we observe spinodal decomposition: many small clusters are formed at the initial stage of the phase transformation, which form a percolating network that eventually transforms i…
Abstract The synergistic effect produced by nanoparticles when incorporated into different systems used as analytical tools represents a growing research field nowadays. On the other hand, the study of interactions involving pharmacological drugs and biological membranes using phospholipids as mimetic systems is a res…
Pearl-necklace-like Pb/PbSe heterostructure ordered arrays have been fabricated via a simple electrodeposition method. The phase structures, morphologies, and chemical compositions of the samples have been characterized by atomic force microscopy, field emission scanning electron microscopy, transmission electron micr…
Abstract In this study we propose a novel integrated charcoal gasification and solid oxide fuel cell (SOFC) system, which is intended to produce electricity and heat simultaneously. This system mainly consists of an updraft gasifier using air and steam as the gasification agents, a planar and direct internal reforming…
Poly (amidoamine) dendrimer nanoparticles are used extensively in diverse biological and medical applications. Examples include gene and drug delivery, where nanoparticles disrupt cell membranes to allow the transport of material into cells. The size and surface chemistry of these particles have a strong effect on the…