Materials Literature
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The dependence of the thermal conductivity of narrow wires made from bismuth and covalently bonded materials on wire diameter was numerically calculated by considering contributions of mean free paths of carriers and phonons. The results suggest that a reduction in the thermal conductivity should be observable in a bi…
Abstract The polypropylene‐ graft ‐cardanol was prepared by reactive extrusion, which is solvent‐free melt process, continuous processing, and controllable over residence time. The effect of monomer and initiator concentration on grafting ratio, grafting efficiency, and melt flow index (MFI) was also studied. The yiel…
The origin of the ferromagnetism in Co-doped SnO2 is investigated by density functional theory using local spin density approximation plus Hubbard U scheme. Our results show that O vacancy plays a key role in determining the magnetic order in Co-doped reduced samples. The presence of O vacancy makes the Co 3d-t2g mino…
Zinc hydroxide fluoride (Zn(OH)F) with novel flower-like morphology has been prepared via a microwave-assisted ionic liquid route. The flower-like Zn(OH)F particle has six petals and every petal is composed of lots of acicular nano-structure. Nanoporous ZnO is obtained by thermal decomposition of as-prepared Zn(OH)F i…
Langmuir monolayers and Langmuir-Blodgett (LB) films of the decatungstoeuropate [Eu(W(5)O(18))(2)](9-) (EuW(10)) and the amphiphilic Ir complex 1 have been successfully fabricated by using the adsorption properties of the EuW(10) polyanion dissolved in the aqueous subphase onto a positively charged 1 monolayer at the…
Abstract The effects of the addition of styrene‐ethylene/butylene‐styrene copolymer (SEBS) with various functionalized groups on the rheological, mechanical, and tribological properties on polyamide 6 nanocomposite filled with layered silicate (PA6/Clay) were investigated. Four types of SEBS: unmodified SEBS (SEBS), m…
The solid phase epitaxy of an amorphous layer on crystalline silicon is studied by means of molecular dynamics. Three stacks of 5120, 4928, and 5184 atoms respectively oriented along the [100], [110], and [111] directions are annealed with the Tersoff interatomic potential. The regrowth proceeds via the motion of a pl…
Abstract The kinetics and mechanism for the reaction of NH 2 with HNO have been investigated by ab initio calculations with rate constant prediction. The potential energy surface of this reaction has been computed by single‐point calculations at the CCSD(T)/6‐311+G(3 df , 2 p ) level based on geometries optimized at t…
Abstract Raman spectroscopy measurements of polycrystalline Na 2 MoO 4 ·2H 2 O (NMHO) and Na 2 MoO 4 (NM) under hydrostatic pressure (from 0 to 10 GPa) were performed. This study allowed us to monitor the stretching and bending vibrations of MoO 4 ions as well as the translational modes as a function of pressure. The…
Four ion-pair complexes of [Ni(dmit)(2)](-) with [NO(2)bzql](+) have been obtained, which belong to two kinds of polymorph forms, [NO(2)bzql][Ni(dmit)(2)] (1alpha and 1beta) and [NO(2)bzql][Ni(dmit)(2)].CH(3)COCH(3) (2alpha and 2beta) (where dmit = 2-thioxo-1,3-dithiole-4,5-dithiolate and [NO(2)bzql](+) = 1-(4-nitrobe…
Silicon thermal conductivities are obtained from the solution of the linearized phonon Boltzmann transport equation without the use of any parameter-fitting. Perturbation theory is used to compute the strength of three-phonon and isotope scattering mechanisms. Matrix elements based on Fermi’s golden rule are computed…
Carpet is one of the textile structures that are subjected to compressive load in use. In this study, firstly the mechanism of pile deformation in a cut-pile carpet is investigated, and then a theoretical analysis of force and energy of deformation is presented. The elastic-stored bending energy is derived, and the fr…
Oxygen incorporation in the ${\text{Ti}}_{2}\text{AlC}$ $MAX$ phase and TiC was investigated in the electron microscope using spatially resolved fine-structure electron energy-loss spectroscopy analysis. Corresponding fine structures were calculated within the full-potential-linearized augmented plane-wave framework.…
An effective route for the synthesis of aliphatic polyesters made from adipic or sebacic acid and alkanediols, using inorganic acid as a catalyst is reported. The monomer composition, reaction time, catalyst type, and reaction conditions were optimized to yield polyesters with weight average molecular weights of 23,00…
We have developed dual-tagging sensors, operating via both surface-enhanced Raman scattering (SERS) and metal-enhanced fluorescence (MEF), composed of silver-coated silica beads onto which were deposited SERS markers and dye-grafted polyelectrolytes, for multiplex immunoassays. Initially, a very simple electroless-pla…
Abstract A series of polylactides tethered with polyhedral oligomeric silsesquioxane (POSS–PLAs) were synthesized via the ring‐opening polymerization of L ‐lactide with 3‐hydroxypropylheptaisobutyl polyhedral oligomeric silsesquioxane (3‐hydroxypropylheptaisobutyl POSS) at a concentration of 0.02–2.00 mol % in the pre…
Lead-free piezoelectric xLiNbO3–(1−x)(K0.52Na0.58)NbO3 (LKNN) (x=0, 0.04, 0.06, and 0.08) thin films on Pt/Ti/SiO2/Si(100) substrates were prepared by a sol-gel method. The effects of the Li substitution content on the crystal structure, microstructure, and electrical properties of LKNN films were investigated. The Li…
We report sublimation of crystalline GeTe nanowires at elevated temperatures in vacuum imaged by in situ transmission electron microscopy. The GeTe nanowires exhibit significant melting point suppression in the presence of Au contamination. A nanosized effusion cell is formed by coating the GeTe core with a SiO(2) she…
We show how changes in a local, high frequency dynamic process are correlated with the macroscopic behavior of glassy polymers. Polyvinylethylenes vitrified by different chemical and thermodynamic pathways exhibit different densities in the glassy state. We find that the rate and amplitude of a high frequency relaxati…
We report the first results of the low-temperature photoluminescence study on polycrystal zinc oxide (ZnO) films obtained by atomic layer deposition at 100 °C, 130 °C and 200 °C. These ZnO films, when studied 'as-grown', show a strong excitonic emission even at room temperature. Low-temperature (T = 9 K) photoluminesc…