Materials Literature
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A theoretical model is suggested which describes the generation of lattice perfect, lattice partial and grain boundary dislocation loops (DLs) at pre-existent DLs in mechanically loaded nanocrystalline materials (NCMs). The energy characteristics of various modes of the DL generation are calculated and compared. With…
Abstract A systematic low‐field ac susceptibility measurement was carried out to study the critical phenomena of La 1– x Ag x MnO 3 ( x = 0.10 and 0.15) system near its ferromagnetic to paramagnetic phase transition by determining the Curie temperature and asymptotic magnetic susceptibility critical exponent. The obta…
Pither & Aarssen (2005) propose a null model approach to assess the proportion of niche specialist taxa along ecological gradients. They apply this methodology to a large data set of lacustrine diatom assemblages and conclude that a majority of the taxa are generalists on a pH gradient. This conflicts with previous wo…
Mechanisms of spin localization in graphitic nanoparticles of activated carbon fibers (ACFs) are discussed. Electronic properties of ACFs are described by the model which is the fusion of two approaches: Langevin paramagnetism represented by Curie law in electron paramagnetic resonance measurements and granular metal…
Diamond-like carbon (DLC) coatings have been studied for many years as wear-resistant and low friction materials. Their tribological behaviour depends on the nature of the coating, which is determined by the deposition process. It is also strongly affected by environmental conditions. In this study, the nanomechanical…
Abstract The interaction between [Cp*MoH 3 (dppe)] (dppe = Ph 2 PCH 2 CH 2 PPh 2 ) and a variety of proton donors hasbeen investigated by a combination of experiments andDFT calculations. Weak proton donors [2‐monofluoroethanol (MFE) and trifluoroethanol (TFE)] allow the determination of basicity factor ( E j = 1.42 ±…
The thermal stability of multi-walled carbon nanotubes (MWCNTs) was assessed under various spark plasma sintering (SPS) conditions. Our experimental results show that the MWCNTs transform into micrometre-sized diamonds at 1500 °C and only 80 MPa during SPS. The resulting diamonds are single or agglomerated crystalline…
A theoretical study of the different isomers of neutral VCn (n = 1-8) clusters has been carried out. Predictions for their electronic energies, rotational constants, dipole moments, and vibrational frequencies have been made using the B3LYP method with different basis sets. For linear and cyclic VCn clusters, the lowe…
We investigate the interplay between spin and orbital correlations in monolayer and bilayer manganites using an effective spin-orbital $t\text{\ensuremath{-}}J$ model which treats explicitly the ${e}_{g}$ orbital degrees of freedom coupled to classical ${t}_{2g}$ spins. Using finite clusters with periodic boundary con…
Isolated freestanding single-walled carbon nanotubes (SWNTs) have been successfully produced on silicon-based flat substrates using diffusion plasma-enhanced chemical vapour deposition. The quantitative effects of plasma parameters, such as ion density and sheath electric field, on the growth and tube alignments of fr…
Adsorption of CO on gold supported in zeolite NaY at 85 K led to the formation of (i) various carbonyls and isocarbonyls typical of the zeolite and (ii) carbonyls formed at cationic gold sites (observed in the 2186-2171 cm(-1) region). Analysis of the behavior of the bands allows their assignment to carbonyls of Au(3+…
Abstract Dimensional change and profile development in the melt spinning process of polyethylene terephthalate hollow fibers were studied through the numerical simulations and experimental results. The simulation predicts the final dimensions and profiles development of the hollow fibers at various positions from the…
A rational synthetic strategy is developed to provide compact and simple terpyridine (terpy) mesogens that show liquid-crystallinity both as pure compounds and in organic solution (amphotropic compound). The use of a central 4-methyl-3,5-diacylaminophenyl platform equipped with two lateral aromatic rings, each bearing…
Morphology and mechanical properties of nanocomposites prepared by melt mixing a montmorillonite-based organoclay with lithium, sodium, and zinc ionomers of poly(ethylene- co -methacrylic acid) are presented here. The effect of the type of neutralizing cation on the melt rheology and organoclay exfoliation efficiency…
Single-crystal ZnGa2O4 nanotubes were grown using well-aligned ZnO nanorods as templates by a vapor transport method. Ga and O vapors were reacted with ZnO to form ZnO∕ZnGa2O4 core-shell nanostructure, and single-crystal ZnGa2O4 nanotubes were obtained by the removal of ZnO cores with a dilute HCl solution. The cathod…
The apparent activation energy for viscous flow of a glass-forming liquid, Ea , and its ratio to temperature Tf , mf (= Ea /2.3Tf ), are seen as a measure of the viscosity's departure from the Arrhenius equation. As the viscosity, η, increases on cooling, Ea and mf increase. On slow cooling, a liquid vitrifies at a lo…
To include particle attachment and porosity of nanostructured materials in the discussion of their electronic properties is critical to our understanding of charge transfer across grain boundaries. We report the condensation of isolated TiO(2) nanocrystals via the application of a simple hydration-dehydration cycle. A…
Long-range-ordered anodic porous alumina with a reduced hole interval could be obtained by anodization using highly concentrated H 2 SO 4 solutions. The self-ordering of the hole arrangement of alumina occurred at a low applied voltage of 18 V in highly concentrated H 2 SO 4 solution of more than 6 M, which generated…
Formation energies of possible vacancies under different oxygen partial pressures were studied using an ab initio density functional theory and supercell approach. Under oxygen-rich conditions, lead vacancies are the stable ones throughout the band gap, and their ionization level locates at 0.56eV from the top of vale…
Solute friction is known to prevail in crystals where a solution of point defects results in a diffuse resistance to dislocation motion. This property is often used to strengthen materials. In this paper we show that it also affects dislocation–dislocation interactions. Dislocation dynamics simulations are used to inv…