Materials Literature
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Abstract To study the effects of processing conditions on the viscoelastic and mechanical properties of biodegradable composites, we prepared several composites based on sisal fibers and biodegradable polymers. The effects of processing conditions such as the speed of rotation, temperature, and time of mixing were inv…
To improve ZnO thin film quality, the ZnO thin films grown on silicon (100) by plasma enhanced chemical vapour deposition from Zn(C 2 H 5 ) 2 and CO 2 gas mixtures at a low temperature of 120°C are annealed in an oxygen ambient at temperature ranging from 600°C to 1000°C. X-ray diffraction spectra indicate that ZnO fi…
We present a dual-resolution coarse-graining scheme for efficient molecular dynamics simulations of bisphenol-A-polycarbonate (BP-A-PC) liquids in contact with a (111) nickel surface. The essential feature of this model is the strong adsorption of phenoxy chain ends, and the absence of adsorption by other parts of the…
The three-dimensional microstructure of a Strombus decorus persicus seashell was studied by means of high-resolution electron microscopy and energy-variable X-ray diffraction on synchrotron beam lines. Energy variation in small steps allows the X-ray penetration depth to be changed precisely and, on this basis, for a…
Abstract Particulate reinforced thermoplastic composites are designed to improve the properties and to lower the overall cost of engineering plastics. In this study, the influence of adding talc and kaolin fillers on the mechanical properties of nylon 6 was investigated. Fillers, either singly or mixed by various weig…
[reaction: see text] The diphenylamino group is an effective handle for electropolymerization to give electron donor-acceptor conjugated polymers. In addition, interesting electrochromic and photoresponsive behavior of 13 has been investigated.
Annulation of one TTF unit directly to the porphyrin chromophore produces an almost nonfluorescent species which can be transformed into a fluorescent species by oxidation of the TTF unit.
Calcium carbonate was precipitated from a supersaturated calcium bicarbonate solution in association with a series of long-chain fatty acid monolayers, and the location of the growing crystals with respect to the monolayer domain structure was determined by in situ analysis using a Brewster angle microscope (BAM). Inc…
Chemisorption of singlet (1)Delta(g) O2 on single-walled carbon nanotubes is reexamined by first principles calculations, and the reaction barrier is substantially lower than previously reported when the spin on O2 is correctly treated. The process is initiated by the cycloaddition of a singlet O2 on top of a C-C bond…
The structure and growth of crystal nuclei that spontaneously form during computer simulations of the simplest nontrivial model of a liquid, the hard sphere system, is described in this work. Compact crystal nuclei are observed to form at densities within the coexistence region of the phase diagram. The nuclei possess…
The reactivity of the [alpha-SiW(11)O(39)](8-) monovacant polyoxometalate with lanthanide has been investigated for four different trivalent rare-earth cations (Ln = Nd(III), Eu(III), Gd(III), Yb(III)). The crystal structures of KCs(4)[Yb(alpha-SiW(11)O(39))(H(2)O)(2)] x 24H(2)O (1), K(0.5)Nd(0.5)[Nd(2)(alpha-SiW(11)O…
The additive dose, T m ( E a )– T stop , repeated initial rise, variable heating rate and computerized glow curve deconvolution (CGCD) methods were used to determine the number of peaks and kinetic parameters (kinetic orders b , activation energy E a and attempt-to-escape frequency s ) associated with the thermolumine…
The evolution and physicochemical characteristics of CeO 2 −ZrO 2 and V 2 O 5 /CeO 2 −ZrO 2 samples under the influence of thermal treatments from 773 to 1073 K were investigated using X-ray diffraction (XRD), BET surface area, Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS). The CeO 2 −ZrO 2 mixed oxid…
The thermal conductivity of the spin-1/2 chain cuprate BaCu2Si2O7 was measured along different crystallographic directions in the temperature region between 0.5 and 300 K. The thermal conductivity along the chain direction considerably exceeds that along perpendicular directions. Near the antiferromagnetic transition…
With 780-nm, 250-fs laser pulses, ultrafast optical nonlinearity has been observed in a series of thin films containing PMMA-TiO2 nanocomposites, which are synthesized by a simple technique of in-situ sol-gel/polymerization. The best figures of merit are found in one of the films prepared with a 60% weight percentage…
We report here noncollinear magnetic configurations in the Heusler alloys ${\mathrm{Ni}}_{2}\mathrm{MnGa}$ and ${\mathrm{Ni}}_{2}\mathrm{MnAl}$ which are interesting in the context of the magnetic shape memory effect. The total energies for different spin spirals are calculated and the ground-state magnetic structures…
The various approximations used in the construction of a first-principles effective Hamiltonian for ${\mathrm{BaTiO}}_{3},$ and their effects on the calculated transition temperatures, are discussed. An effective Hamiltonian for ${\mathrm{BaTiO}}_{3}$ is constructed not from first-principles calculations, but from the…
We calculate from first principles the electronic structure, relaxation and magnetic moments in small Fe particles, applying the numerical local orbitals method in combination with norm-conserving pseudopotentials. The accuracy of the method in describing elastic properties and magnetic phase diagrams is tested by com…
In a recent publication [D. P. Varn, G. S. Canright, and J. P. Crutchfield, Phys. Rev. B {\bf 66}:17, 156 (2002)] we introduced a new technique for discovering and describing planar disorder in close-packed structures (CPSs) directly from their diffraction spectra. Here we provide the theoretical development behind th…
In the previous paper of this series [D. P. Varn, G. S. Canright, and J. P. Crutchfield, Physical Review B, submitted] we detailed a procedure--epsilon-machine spectral reconstruction--to discover and analyze patterns and disorder in close-packed structures as revealed in x-ray diffraction spectra. We argued that this…