Materials Literature
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The carbon–silica dual phase filler (CSDPF) was modified by ionic liquids (ILs): 1‐allyl‐3‐methyl‐imidazolium chloride (AMI) and 1‐butlyl‐3‐methyl‐imidazolium hexafluorophosphate (BMI). The modified CSDPF was then incorporated into natural rubber (NR) through mechanical mixing. The interactions between CSDPF and ILs w…
The degree of shrinkage of particle stabilised bubbles of various sizes, in a polydisperse bubble dispersion, has been investigated in the light of the finite adsorption times for the particles and the disproportionation kinetics of the bubbles. For the case where the system contains an abundance of particles we find…
Tubular structures of the MS–TaS 2 with (M = Pb, Sn, Sb, Bi) misfit layered compounds are reported. The lattice mismatch between the alternating MS and TaS 2 layers leads to a variety of chiral tubular structures. Such tubular structures are studied via scanning electron microscopy (SEM), high resolution transmission…
The rate of protein evolution is determined by a combination of selective pressure on protein function and biophysical constraints on protein folding and structure. Determining the relative contributions of these properties is an unsolved problem in molecular evolution with broad implications for protein engineering a…
Streptokinase is one of the most commonly used thrombolytic agents for the treatment of thromboembolism. Short half-life of the streptokinase requires administration of higher dose which results in various side effects including systemic haemorrhage due to activation of systemic plasmin. To increase the selectivity of…
Lead free multiferroic Bi4−xSmxTi3−xNixO12±δ (x = 0.02, 0.05, and 0.07) samples have been synthesized by conventional solid state route. X-ray diffraction analysis reveals single phase up to x = 0.07, and a secondary phase appears at x > 0.07. Raman spectroscopy confirms the local distortions in the crystal. Field emi…
The crystallization process from a solution begins with nucleation, which determines the structure and size of the resulting crystals. Further understanding of multi-pathway crystallizations from solution through two-step nucleation mechanisms is needed. This study uses density functional theory to probe the thermodyn…
Photothermal processing of nanoporous gold using a microfocused continuous-wave laser at a wavelength of 532 nm and a 1/e(2) spot diameter of 2.9 μm has been studied. In addition, complementary experiments have been carried out via conventional annealing. Scanning electron microscopy has been used for characterization…
We report on density functional theory investigations of the electronic properties of monofunctional ligands adsorbed on ZnO-(1010) surfaces and ZnO nanowires using semi-local and hybrid exchange-correlation functionals. We consider three anchor groups, namely thiol, amino, and carboxyl groups. Our results indicate th…
ABSTRACT The flame‐retardant properties of asphalt for some building applications are very important. In this study, we mainly focused on the influence of organically modified montmorillonite (OMMT) on the flame‐retardant and other properties of asphalt in a large content range and explored suitable contents of OMMT f…
The thermal vibration of a single-walled carbon nanotube (SWCNT) is investigated by using the models of Euler beam and Timoshenko beam with quantum effects taken into consideration when the law of energy equipartition is unreliable. The relation between temperature and the root of mean-squared (RMS) amplitude of therm…
By examples of nanoparticles with superellipsoidal shapes, we investigate the optical properties of the entire family of metallic nanoparticles of cubic symmetry. In particular, we find drastic changes in the plasmonic spectrum when the nanoparticle varies its form from the spherical to the cubic one. This would allow…
Finding the structure of a confined liquid crystal is a difficult task since both the density and order parameter profiles are nonuniform. Starting from a microscopic model and density-functional theory, one has to either (i) solve a nonlinear, integral Euler-Lagrange equation, or (ii) perform a direct multidimensiona…
ABSTRACT We have developed a sequence‐dependent synthesis of the amino‐functionalized poly(ether sulfone) P2. The amino groups of P2 act as reactive sites toward epoxy resins. After curing P2 with diglycidyl ether of bisphenol A (DGEBA) and cresol novolac epoxy (CNE), we obtained the flexible, light‐yellow, transparen…
We report the results of a theoretical study on the structural, electronic, mechanical, and vibrational properties of some graphene oxide models (GDO, a-GMO, z-GMO, ep-GMO and mix-GMO) at ambient pressure. The calculations are based on the ab-initio plane-wave pseudo potential density functional theory, within the gen…
Compounds of interest for chemical hydrogen storage at near ambient conditions are specifically tailored to be relatively unstable and thereby desorb H2 upon heating. Their decomposition must be performed in the absence of impurities to achieve clean dehydrogenation products, which is particularly challenging for an e…
Inorganic crystals grown from solution find wide application. A mechanistic growth model based on the spiral growth mechanism that operates at low supersaturation on inorganic crystal surfaces is presented. The long‐range electrostatic interactions on inorganic crystal surfaces are captured by methods developed in our…
To investigate the role of preexisting twin boundaries in magnesium alloys during the deformation process, a large number of {10-12} tensile twins were introduced by a radial compression at room temperature before hot compressive tests with both low and high strain rates. Unlike the stable twins in Cu-based alloys wit…
The geometry of high-energy X-ray diffraction setups using an area detector and a rotation axis is analysed. The present paper (part 1) describes the methodology for determining continuously varying spatial distortions and tilt of the area detector based on the reference diffraction rings of a certified powder. Analyt…
Composite multiferroics are materials exhibiting the interplay of ferroelectricity, magnetism, and strong electron correlations. Typical example---magnetic nano grains embedded in a ferroelectric matrix. Coupling of ferroelectric and ferromagnetic degrees of freedom in these materials is due to the influence of ferroe…