Materials Literature
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Based on the general theory of dislocation and kink, we have constructed the three kink models corresponding to the 1/2 〈111〉{011} and 1/2 〈111〉{112} edge dislocations (EDs) in bcc Fe using the molecular dynamics method. We found that the geometric structure of a kink depends on the type of ED and the structural energ…
The mechanical properties and strain rate sensitivity of nanocrystalline nickel was studied as a function of grain size at different temperatures in tensile tests and with a nanoindenter in order to examine the different deformation mechanisms of nanocrystalline materials. The effect of lateral boundaries and hydrogen…
Density functional theory is used to investigate the surface structures and the energies of two possible terminated LaAlO3 (001) surfaces with oxygen vacancies, i.e. LaO- and AlO 2 -terminated surfaces. The large displacements of ions, deviated from their crystalline sites, can lead to the formation of the surface rum…
The rigid polyurethane-polyisocyanurate (PUR-PIR) foams containing 5-25 wt. % of the fillers (aluminum hydroxide, melamine, starch, talc, chalk or borax) were the subjects of investigations. A PUR-PIR foam without the filler was a standard control sample. Thirteen functional properties of the products were estimated,…
Based on the phenomenological Landau–Devonshire thermodynamic theory, the film thickness dependence of electrocaloric effect in epitaxial Ba0.6Sr0.4TiO3 thin films is investigated. Theoretical analysis shows that the Ba0.6Sr0.4TiO3 thin films grown on LaAlO3 and MgO substrates have the giant electrocaloric effect at r…
The temperature dependences of saturated vapor pressures of hexadecafluorinated zinc and vanadyl phthalocyanines (MPcF 16 , M = Zn, VO) and their unsubstituted analogues were studied by the Knudsen effusion method. The temperature dependences of saturated vapor pressures were used to calculate the thermodynamic parame…
The collective plasmon resonances in a monolayer formed by metal or metal-dielectric nanoparticles with dipole or quadrupole single-particle resonances are theoretically and experimentally studied. The extinction, scattering, and absorption spectra are calculated using an exact many-particle solution for the system of…
Abstract The aim of the present study was to investigate the suitability of the melt sonocrystallization technique to modify the undesirable properties of the nonsteroidal anti‐inflammatory drug (NSAID), flurbiprofen (FBP), e.g., poor flowability, solubility, and dissolution rate and, consequently, poor bioavailabilit…
Thin films of nickel phthalocyanine (NiPc) are deposited on an as-received and on a mildly sputtered PEDOT:PSS film, spin coated on fluorine tin oxide coated glass. The electronic properties of the PEDOT:PSS surface, both as loaded and upon thermal treatment and sputtering, as well as of the interfaces between NiPc an…
Development of the lignocellulosic‐biomass‐based biorefinery for making transportation fuels requires the production of valuable byproducts, minimizing the chemical consumables, and efficient water recovery and reuse. Our focus is on a liquid stream containing a variety of soluble lignin species and alkalinity that is…
X-ray photoelectron spectroscopy (XPS) was used to study the natural outside aging of industrial low density polyethylene (LDPE) under the influence of one year round weather. Two types of LDPE were studied. The first type was LDPE without additives and the second type was doped with 4% of hindered amine light stabili…
Abstract In this paper, maleic anhydride is directly coated on the surface of SrAl 2 O 4 : Eu 2+ , Dy 3+ (SAO‐ED) phosphors by an interfacial coordination chemistry method. Fourier transform infrared spectroscopy (FTIR), X‐ray photoelectron spectra (XPS), X‐ray diffraction (XRD), and scanning electron microscopy (SEM)…
Samples of lead zirconate titanate Pb ( Zr 0.53 Ti 0.47 ) O 3 with europium ( Eu ) doping concentration of 0, 0.5, 1.5, 3 mol% (PEZT) were fabricated by sol–gel method. XRD spectra showed that the introduction of Eu into PZT favored the growth of (100) orientation. With 3% Eu content, the preferential orientation of t…
Sulfosalt SnSb2S4 films for optical and electrical applications have been prepared on glass substrates by thermal evaporation and subsequently thermally annealed in vacuum at temperatures from 100 to 200 °C. The optical and structural properties of the films were studied as a function of the annealing temperature. The…
The effect of heat treatment mode on the microstructure of Fe-Cr-B cast iron alloys was investigated in this paper by comparing the difference of precipitation patterns of secondary particles after thermal cycling treatment (TCT) with those after normal heat treatment (NHT). No obvious differences were found in precip…
Different methods currently employed for choosing and analyzing model configurations of binary systems with isomorphous substitution in the sublattice were considered. A new more efficient algorithm was proposed for determining the most disordered atomic configuration of an arbitrary composition for a cell with any si…
The influence of silica nanoparticles on the tensile properties of poly(ethylene terephthalate)(PET) fibers was investigated. The results showed that mechanical properties of PET fibers were improved through nano‐silica incorporation. Two maxima of the modulus‐strain curves of PET/silica nanocomposites (PETS) fibers a…
Melting and crystallization are reported as a means for reversible switching of nanoscale containers. Aqueous dispersions of 10 nm particles of polyethylene with variable branching and crystallinity were prepared by catalytic polymerization with water-soluble Ni(II) complexes. Fluorescence studies of lipophilic probe…
Abstract Das Reibungsverhalten amorpher Kohlenstoffschichten wird durch die feste Anbindung monomolekularer Bedeckungen bestimmt. Sie bedingen die sehr geringe Reibung in normaler (feuchter) Luft, ihr Fehlen führt in trockener Luft bzw. im Vakuum zu hohen Reibungszahlen. Mit wässrigen oder öligen Schmierstoffen ergebe…
Biomolecular templates provide an excellent potential tool for bottom-up device fabrication. Self-assembling alpha-synuclein protein fibrils, the formation of which has been linked to Parkinson's disease, have yet to be explored for potential device fabrication. In this paper, alpha-synuclein fibrils were used as a te…