Materials Literature
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This work aims to show the possibility of using the integral kinetic model, which is applicable to any geometry, for general space-dependent kinetic analysis. A space-dependent kinetic analysis methodology and code were developed based on the integral kinetic model. The developed kinetic analysis code was verified by…
We fabricate planarized carbon nanotube (CNT) via interconnects using chemical mechanical polishing (CMP). The selective growth of CNT bundles in via holes and the filling of spin-on-glass into the space among the CNTs are performed, followed by a CMP process. The via resistance is reduced by post-CMP treatment and po…
The distinctive paper is devoted to correct wavelet-based multilevel numerical method of local solution of boundary problems of structural analysis. Operational and variational formulations of the problem (particularly with the use of wavelet basis) are presented. Computer-oriented algorithms of fast direct and invers…
The first part of this review summarizes methods for the syntheses of mono-, di-, and tetra-substituted glycosylated phthalonitriles, which are the main starting materials for the preparation of the corresponding glycosylated metal phthalocyanines. In the second part the preparation of symmetrically and unsymmetricall…
Metamagnetic thin films represent a promising geometry for more efficient magnetocaloric cooling applications due to a fast heat transfer. Here, we identify suitable growth conditions to obtain epitaxial Ni-Mn-In-Co films with a metamagnetic transition in vicinity of room temperature. We show that both increased subst…
Single crystals of the ternary compound FeIn 2 Se 4 are grown by directional crystallization of the melt. The composition and structure of the single crystals are determined. The local states of iron ions in this compound are studied by nuclear γ-resonance spectroscopy in transmission configuration. The temperature an…
Abstract. The paper discusses a method of optimization of thick-walled shells on the basis of the solution of inverse problems theory of elasticity of inhomogeneous bodies. There are discussed the terms of equal-stress and equal-strength structures. The notion of efficiency ratio of equal-strength shell as the ratio o…
Abstract A novel environmentally friendly type of calcium carbonate and iron(III) scale inhibitor (ALn) was synthesized. The anti-scale property of the Acrylic acid-allylpolyethoxy carboxylate copolymer (AA-APELn or ALn) towards CaCO 3 and iron(III) in the artificial cooling water was studied through static scale inhi…
This paper presents a systematic computational study of the mechanism of cyclohexanone-monomer co-initiation in high-temperature homopolymerization of methyl acrylate (MA) and methyl methacrylate (MMA). Previous experimental studies of spontaneous thermal homopolymerization of MA and MMA showed higher monomer conversi…
Using first-principles calculations, we investigate the electronic and magnetic properties of Zn vacancy in ZnO with and without Li-doping. It is found that the Zn vacancy can induce magnetism but the formation energy of the system is high. We also found that the Li-dopant at either the substitutional sites or the int…
Nanopowders (NPds) of pure CeO2 of a specific surface area up to 210 m2/g and those doped with copper, carbon, and iron (≤1 wt % of dopant) of a specific surface area in the range 130–160 m2/g have been produced by evaporation with a pulsed electron beam. According to the X-ray phase analysis data, no secondary phases…
The work is a molecular dynamics study of the peculiarities of local structural transformations in a copper crystallite at the atomic level in contact interaction of various types: shear loading of perfectly conjugate surfaces, local shear loading and nanoindentation. Interatomic interaction is described in the framew…
Single crystals of a series of hydrides Er2Fe14BHx (x ≤ 2.5) have been produced and studied in pulsed magnetic fields up to 60 T. The magnetization curve of Er2Fe14B in the easy direction [100] features a stepwise anomaly at about 45 T, corresponding to the first-order phase transition. A similar magnetization jump is…
Density functional theory (DFT) calculations have been used to study the nature of intrinsic defects in the hexagonal polymorph of barium titanate. Defect formation energies are derived for multiple charge states, and due consideration is given to finite-size effects (elastic and electrostatic) and the band gap error…
The force-assisted desorption kinetics of a macromolecule from adhesive surface is studied theoretically, using the notion of tensile (Pincus) blobs, as well as by means of Monte Carlo (MC) and molecular dynamics (MD) simulations. We show that the change of detached monomers with time is governed by a differential equ…
The behavior of magnesium octa(benzo-15-crown-5)phthalocyaninate in water medium in the presence of sodium dodecyl sulfate was studied using both electronic and 1 H NMR spectroscopy, including the method of two-dimensional 1 H- 1 H correlation NOESY. In the microheterogeneous environment of the CH 3 (CH 2 ) 11 OSO 3 N…
0.91Pb(Zn 1/3 Nb 2/3 )O 3 -0.09PbTiO 3 (PZN-9%PT) single crystals with different orientations are investigated by using a spectroscopic ellipsometer, and the refractive indices and the extinction coefficients are obtained. The Sellmeier dispersion equations for the refractive indices are obtained by the least square f…
This study focuses on the simultaneous plasma treatment of interlayer dielectric (ILD) and chemical mechanical polished (CMP) Cu surfaces using N2/H2 plasma processes. The modifications induced by the gas chemistries are investigated for two ILD films with different porosities and carbon concentrations. H atoms and ra…
We obtain the patch-repetition entropy Σ within the Random First-Order Transition (RFOT) theory and for the square plaquette system, a model related to the dynamical facilitation theory of glassy dynamics. We find that in both cases the entropy of patches of linear size ℓ, Σ(ℓ), scales as s c ℓ d + A ℓ d − 1 down to l…
Transition rules and optical properties of armchair graphene nanoribbons embedded in hexagonal boron nitride lattices are studied for the first time. Based on tight binding calculations considering first and second nearest neighbors, we show that the optical transition rules of such structures are completely different…