Materials Literature
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There is a vast array of materials with diverse mechanical, physical and chemical properties from which the design engineer has to choose the most suitable material satisfying different design requirements. The design engineer has to take into account also a large number of material selection criteria before arriving…
In this study, Al ‐doped ZnO particles are infiltrated into porous ZrSiO 4 substrates to form an Al ‐doped ZnO / ZrSiO 4 composite ceramic using sol‐gel process. The doping of aluminum results in the high‐concentration carriers, leading to the improvement of polarization capability and electric conductivity. When the…
Silver nanoparticles are notoriously susceptible to oxidation, yet gold nanoparticles coated in silver exhibit a unique electronic interaction that occurs at the interface of the two metals, leading to enhanced stability properties for the silver shell. In order to probe the phenomenon, the stability of gold nanoparti…
The stability and electronic structure of (protonated) polyaniline (PANI) and PANI–graphene composite are systematically studied using density-functional simulations. The protonation of PANI is a spontaneous exothermic reaction. It decreases the band gap of PANI and introduces shallow impurity states (ISs), both of wh…
We study metamaterials with an anisotropic permittivity tensor in which one component is near zero. We find that such an anisotropic metamaterial can be used to control wave propagation and construct almost perfect bending waveguides with a high transmission rate (>95%). This interesting effect originates in th…
Structural, magnetic and magnetocaloric properties of Fe2P-based Mn-Fe-P-Si compounds were investigated. The study reveals a large magneto-elastic coupling that starts to develop in the paramagnetic state and grows when the ferromagnetic transition temperature is approached. Based on the behavior of the magneto-elasti…
Electronic structure calculations are used to analyze the electronic and magnetic properties in {K$_{2}$Fe$_{4+x}$Se$_{5}$}. Fe atoms can be divided into two distinct groups. The $x{=}0$ (parent) compound forms an insulating, collinear, local moment phase with high N{é}el temperature. We show that large biquadratic ex…
The lattice dynamics of FeSb(2) is investigated by first-principles density functional theory calculations and Raman spectroscopy. All Raman- and infrared-active phonon modes are properly assigned. The calculated and measured phonon energies are in good agreement. We have observed strong mixing of the A(g) symmetry mo…
The density of states and chemical potential as functions of temperature and filling degree of energy band were calculated. It was shown the peculiarity of concentration and temperature behavior of chemical potential is stipulated by Fermi statistics in the system with bounded energy spectrum. The magnetic initial sus…
An effective model that describes the Kondo effect due to a point defect in graphene is developed, taking account of the electronic state and the lattice structure of the defect. It is shown that this model can be transformed into a single-channel pseudogap Anderson model with a finite chemical potential. On the basis…
We present a metamaterial-based terahertz (THz) sensor for thickness measurements of subwavelength-thin materials and refractometry of liquids and liquid mixtures. The sensor operates in reflection geometry and exploits the frequency shift of a sharp Fano resonance minimum in the presence of dielectric materials. We o…
Graphene films grown on metal substrates by chemical vapor deposition (CVD) method have to be safely transferred onto desired substrates for further applications. Recently, a roll-to-roll (R2R) method has been developed for large-area transfer, which is particularly efficient for flexible target substrates. However, i…
A model based on space charge dynamics under high dc electric field has been proposed to explain commonly observed thickness dependent breakdown of polymeric material. The formation and dynamics of space charge will result in local electric field enhancement that has a direct impact on dielectric breakdown. The simula…
We report a large piezoelectric Pb-free system—Ba(Ti0.8Hf0.2)O3-(Ba0.7Ca0.3)TiO3, designed upon a triple-point morphotropic phase boundary (TMPB) idea. The system shows anomalies of both ac (dielectric and piezoelectric) and dc (P-E hysteresis) properties around TMPB, especially the d33 achieving ∼550 pC/N at room tem…
Using a chemical vapor deposition method, we have synthesized vertically aligned BCN nanotubes (VA-BCNs) on a Ni-Fe-coated SiO(2)/Si substrate from a melamine diborate precursor. The effects of pyrolysis conditions on the morphology and thermal property of grown nanotubes, as well as the nanostructure and composition…
New iron selenide superconductors by intercalating smaller-sized alkali metals (Li, Na) and alkaline earths using high-temperature routes have been pursued ever since the discovery of superconductivity at about 30 K in KFe₂Se₂, but all have failed so far. Here we demonstrate that a series of superconductors with enhan…
We discuss existing and new computational analysis techniques to classify local atomic arrangements in large-scale atomistic computer simulations of crystalline solids. This article includes a performance comparison of typical analysis algorithms such as common neighbor analysis (CNA), centrosymmetry analysis, bond an…
The purpose of the research was to employ a novel particle engineering technique-melt sonocrystallization (MSC) for some nonsteroidal anti-inflammatory drugs for development of more soluble forms of the drugs without the use of excipients. The original forms of Paracetamol (OFPCM), Indomethacin (OFIMC) and Mefenamic a…
The microstructures, irradiation-induced defects and changes of mechanical property of Chinese domestic A508-3 steels after proton irradiation were investigated by TEM, positron lifetime, slow positron beam Doppler broadening spectroscopy and hardness measurements . The defects were induced by 240 keV proton irradiati…
Chemical exchange saturation transfer (CEST) MRI enables measurement of dilute CEST agents and microenvironment properties such as pH and temperature, holding great promise for in vivo applications. However, because of confounding concomitant radio frequency (RF) irradiation and relaxation effects, the CEST-weighted M…