Materials Literature
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<div class="htmlview paragraph">A family of water-based sol-gel coatings has been developed as an environmentally-friendly alternative to traditional aerospace finishing materials and processes. The sol-gel hybrid network is based on a reactive mixture of an organo-functionalized silane with a stabilized zirconi…
Abstract When a polymer chain in solution interacts with an atomically smooth solid substrate, its conformational properties are strongly modified and deviate substantially from those of chains in bulk. In this work, the interplay of two competing transitions that affect the conformations of polymer chains near an ene…
Abstract The twinkling fractal theory (TFT) of the glass transition temperature T g provides a new method of analyzing rate effects and time–temperature superposition in amorphous materials. The rate dependence of T g was examined in the light of new experimental and theoretical evidence for the nature of the dynamic…
Several issues connected with bridging methods for atomistic-to-continuum (AtC) coupling are examined. Different coupling approaches using various energy blending models are studied as well as the influence that model parameters, blending functions, and grids have on simulation results. We use the Lagrange multiplier…
Nanometer-scale silicate platelet (NSP) materials were previously developed by increasing the interlayer space and exfoliation of layered silicate clays such as montmorillonite and synthetic fluorinated mica by the process of polyamine exfoliation. In this study, the antibacterial activity and cytotoxicity of these na…
Expanded polypropylene (EPP) foams have been widely used as protective materials in automotive bumpers, safety helmets, etc., but their dynamic behavior is not well defined. In the current study, quasi-static compression tests and dynamic tests using a split Hopkinson pressure bar were performed to investigate the eff…
Structural and electronic properties for a series of silicon-substituted benzenes (C n Si m H 6, where n = 0−6, m = 0−6, and n + m = 6) are studied through density functional theory calculations. Benzene is found to sustain its planarity up to two Si substitutions for all isomers. For three Si substitutions, only the…
Abstract Corrosion protection of mild steel by a newly developed chlorinated rubber (CR)‐based coating system containing the inherently conductive polymer polyaniline (PAni) as an anticorrosion agent was studied. The synthesis of PAni and preparation of CR‐based paint containing this polymer are described herein. The…
We design a new class of chemically modified graphenes through selective hydrogenation, which contain an array of triangular carbon domains separated by hydrogenated carbon stripes. By using a density-functional theory method within the generalized gradient approximation in the Perdew-Burke-Ernzerhof functional form,…
Josephson junctions between a FeAs-based superconductor with antiphase s-wave pairing and a conventional s-wave superconductor are studied. The translational invariance in a planar junction between a single crystal pnictide and an aluminum metal greatly enhances the relative weight of electron pockets in the pnictide…
Abstract The mechanisms of polyhydroxyalkanoate (PHA) production have been studied for over half a century. However, despite numerous improvements in the control of monomer composition, genetically‐engineered host organisms, fermentation strategies and polymer recovery processes they remain uncompetitive compared with…
Ti-24Nb-4Zr-7.9Sn (TNZS) is a newly developed beta-titanium alloy with low modulus and it has been considered as good material for dental or orthopedic implant. The purpose of the current study is to evaluate the effect of micro-arc oxidation (MAO) treatment on the biological performance of TNZS surface. The phases, m…
Stoichiometric B4 thin films have formally divergent surface energies, which arise from the intrinsic dipole of the unit cell. Previous density functional theory studies have predicted that below a critical thickness this results in relaxation to the nonpolar planar h-MgO structure. The calculations presented here dem…
In contrast to the well-known reaction of phosphonic acids RP(O)(OH)(2) with divalent transition-metal ions that yields layered metal phosphonates [RPO(3)M(H(2)O)](n), the 2,6-diisopropylphenyl ester of phosphoric acid, dippH(2), reacts with zinc acetate in methanol under ambient conditions to afford tetrameric zinc p…
Flexoelectric charge separation and the associated size dependent piezoelectricity are investigated in centrosymmetric dielectric solids. Direct piezoelectricity can exist as external mechanical stress is applied to non-piezoelectric dielectrics with shapes such as truncated pyramids, due to elastic strain gradient in…
Electrocrystallization experiments with the chiral ethylenedithio-tetrathiafulvalene-methyl-oxazoline (EDT-TTF-OX) donors (R)-, (S)-, and (rac)-1 have provided two series of mixed-valence salts with the PF(6) (-) and [Au(CN)(2)](-) anions. Within each series the cell parameters are the same for the three R, S, and rac…
To date, the successful low-temperature synthesis of the aluminosilicate imogolite nanotubes always involved initial concentrations of the reagents in the millimolar range, higher concentrations being reported to lead to the formation of the less well characterized allophane phase. The present work shows that reaction…
Liver-imaging probes are prepared through the conjugation of Gd chelates and galactosyl moieties to peptide dendrimers. The dendritic probes possessing highly controlled structures and a single molecular weight have a two-fold increase in T(1) relaxivity to 9.1 x 10(3) (Gd M)(-1) s(-1) compared to Gd-DTPA. No obvious…
Abstract Existing studies in the research literature showing conflicting changes in physical aging rates with decreasing film thickness in nanoconfined polymer films highlight the need for a single experimental technique to efficiently characterize physical aging rates in thin polymer films of varying chemical structu…
A new type of pH-responsive block copolymer nanoparticle has been synthesized and characterized. The amphiphilic diblock copolymer, PEG-b-PMYM, contains acid-labile ortho ester side-chains in the hydrophobic block and can self-assemble into micelle-like nanoparticles in water at neutral pH. Hydrolysis of the ortho est…