Materials Literature
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Theoretical and experimental studies have been conducted on the effective electromagnetic properties of planar composites at microwave frequencies, with embedded conductive fibers of various volume concentrations. Two types of distribution are considered: random and periodic. Experimental results for the transmission…
Abstract A series of nanocomposites of poly(ethylene terephthalate) (PET) with the organoclay dodecyltriphenylphosphonium‐mica (C 12 PPh‐mica) were synthesized with the in situ polymerization method. PET hybrid fibers with various organoclay concentrations were melt‐spun at various draw ratios (DRs) to produce monofil…
Here, we report a novel, programmable, molecular self-assembling system to fabricate shape-specific, three-dimensional nanoarchitectures. Three types of simple 16-mer peptides consisting of hydrophobic Leu and hydrophilic Lys, LKL16, KLK16, and LK16, were prepared as building blocks for nanofabrications. A detailed an…
Homoleptic bis(phthalocyaninato) rare-earth double-deckers complexes [M(III)[Pc(alpha-OC5H11)4]2] (M = Eu, Y, Lu; Pc(alpha-OC5H11)4 = 1,8,15,22-tetrakis(3-pentyloxy)phthalocyaninate) have been prepared by treating the metal-free phthalocyanine H2Pc(alpha-OC5H11)4 with the corresponding M(acac)3.nH2O (acac = acetylacet…
Collision and adsorption of hydrogen with high incident kinetic energies on a single-walled boron nitride (BN) nanotube have been investigated. Molecular-dynamics (MD) simulations indicate that at incident energies below 14 eV hydrogen bounces off the BN nanotube wall. On the other hand, at incident energies between 1…
Heterometallic clusters containing lanthanides and the group 12 metals can be isolated as crystalline compounds in high yields. These products [(py)8Ln4M2Se6(SePh)4 (Ln = Er, Yb, Lu; M = Cd, Hg)] adopt a double cubane structure with the covalent M occupying an opposing pair of external metal sites. Both Er/M compounds…
Nanoporous fluoropolymer films with dielectric constants below 2 are prepared via consecutive surface-initiated atom transfer radical polymerizations of pentafluorostyrene (PFS) and divinylbenzene (DVB) on silica nanospheres. After agglomeration of the nanospheres, crosslinking of the nanospheres by UV, and removal of…
We have fabricated high-density arrays of individually isolated semispherical nanocapacitors consisting of porous anodic aluminum oxide (AAO) layers as dielectric materials and carbon nanotubes (CNTs) as electrodes. It is shown that the nanocapacitors made with the CNT electrodes exhibit much better C-V behaviors than…
Mesostructured inorganic films are formed from pre-organized block-copolymer thin films. The diblock copolymer used, poly(d8-styrene)-block-poly(2-vinylpyridine), was first crosslinked, thus retaining its morphology. Silica and titania were incorporated into the structure and the polymer was subsequently removed, gene…
This work reports on the structural characterization and on the low-temperature upconversion spectroscopy of the Y2O3:2%Er,1%Yb nanophosphor prepared by thermal decomposition of a polymeric resin (Pechini’s method [U.S. Patent No. 3,330,697 (July 11 1967)]). The average particle size evaluated from transmission electr…
We present a new reactive force field ReaxFF(HBN) derived to accurately model large molecular and condensed phase systems of H, B, and N atoms. ReaxFF(HBN) has been tested against quantum calculation data for B-H, B-B, and B-N bond dissociations and for H-B-H, B-N-B, and N-B-N bond angle strain energies of various mol…
In order to characterize the spin-spin exchange interactions responsible for the Type-${E}^{\ensuremath{'}}$ antiferromagnetic order in inhomogeneous ${\mathrm{RNiO}}_{3}$ perovskites ($R=\mathrm{Y}$ or rare earth), the pressure dependence of the N\'eel temperature ${T}_{\mathrm{N}}$ was systematically measured for sa…
A new materials model for sand has been developed in order to include the effects of the degree of saturation and the deformation rate on the constitutive response of this material. The model is an extension of the original compaction materials model for sand in which these effects were neglected. The new materials mo…
An existing model for the piezoelectric thickness coefficient (d33 coefficient) of cellular polymers is tested with experimental data obtained from two differently manufactured cellular polypropylene (PP) materials. The model assumes the cellular film to consist of plane parallel solid and gaseous layers charged at th…
Two- and three-dimensional, ordered nanocrystal arrays are formed from the self-assembly of water-soluble nanocrystal–micelles that are prepared using surfactant encapsulation techniques. This new method is simple, widely applicable, and can be used to prepare water-soluble nanocrystals with different compositions and…
Bridging the gap: Heterogenized Shibasaki's binol/La catalyst is synthesized by a self-supporting strategy through the reactions of multitopic ligands with La(OiPr)3 (see picture). The catalyst shows high activity and enantioselectivity, and can be reused in the asymmetric epoxidation of α,β-unsaturated ketones.
Processing effects on the dielectric properties of sol–gel‐derived PbZrO 3 –PbTiO 3 (PZT) films integrated onto Pt/Ti/SiO 2 //Si substrates are reported. Sol–gel synthesis and deposition conditions were designed to produce films of varying thickness (95–500 nm) with consistent chemical composition (Pb (Zr 0.53 Ti 0.47…
A combinatorial phage display method was applied to films composed of a stereoregular polymer of methacrylates. The phage clones with selective affinity for isotactic (it) poly(methyl methacrylate) (PMMA) were isolated. Greater amounts of the phage clones bound to it-PMMA, compared to other stereoregular PMMAs. The ph…
Complex phase structures of AB/CD diblock copolymer blends were investigated. Two pairs of poly(isoprene- block -2-vinylpyridine) (IP) and poly(styrene- block -4-hydroxystyrene) (SH) diblock copolymers with different molar ratios, 5:5 and 9:1, were used; they were coded IP-55, IP-91, SH-55, and SH-91, respectively. Tw…
We present here an algorithm for computing stable, well-defined localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates. The algorithm is very fast, limited only by diagonalization of two matrices with dimension the size of the number of virtual orbitals. Furthermore, we require no more tha…