Molecular forces and elastic constants of polyethylene single crystals

Polyethylene has an orthorhombic lattice for which nine elastic constants exist; they are obtained in terms of the intra- and intermolecular forces. Constants involved in the 6-12 Lennard-Jones potential approximating the London dispersion type of van der Waals' forces are obtained by computing the crystal potential energy and comparing it with the cohesive energy. First and second nearest-neighbor interactions are considered to establish relationship between the elastic constants and the interaction constants. The latter are obtained in terms of the C—C bond, stretching, bending, and repulsive force constants and the L-J potential constants. A limited type of central force assumption is applied. Values of Young and shear moduli are obtained along the three axes. The value along the chain compares with the experimentally determined and calculated values for oriented polyethylene. Young's modulus along the lateral direction is of the order of Young's modulus of bulk polyethylene, showing that intermo-lecular forces are the ones that determine the Young modulus of bulk polyethylene.     

A thermo-mechanically-coupled theory accounting for hydrogen diffusion and large elastic–viscoplastic deformations of metals

In this paper we develop a thermodynamically-consistent coupled-theory which accounts for diffusion of hydrogen, diffusion of heat, and large elastic–viscoplastic deformations of metals. The theory should be of utility in the analysis of hydrogen diffusion in elastic–plastically-deforming solids, an analysis which is an essential prerequisite for theoretical and numerical efforts aimed at modeling the integrity of structural components used for hydrogen gas storage and distribution.     

Stereoselective and facile total synthesis of (+)-goniodiol,a styryllactone from carbohydrates

The stereoselective synthesis of (+)-goniodiol, a cytotoxic styryllactone, has been accomplished in 10 steps starting from inexpensive and readily available d-manitol and δ-gluconolactone involving the direct and straightforward reaction conditions of Grignard addition, chain elongation, and hydroboration, thus making the synthesis simple and convenient.     

First structural characterization of core modified 10,15-meso aryl azuliporphyrins: observation of C-H...pi interaction between pyrrole beta-CH and mesityl ring

First successful syntheses and structural characterization of new core modified meso aryl azuliporphyrins by a simple [3 + 1] methodology are reported.     

Synthesis of 2,2-dimethyl-5-hydroxy-3-(3-oxobutyl)-7-pentyl-4-chromone

Alkylation and deformylation of 2,2-dimethyl-3-hydroxymethylene-5-hydroxy-7-pentyl-4-chromone occurs in the same step to give the title compound.     

Anisotropic metal nanoparticles: Synthesis, assembly, and optical applications

This feature article highlights work from the authors' laboratories on the synthesis, assembly, reactivity, and optical applications of metallic nanoparticles of nonspherical shape, especially nanorods. The synthesis is a seed-mediated growth procedure, in which metal salts are reduced initially with a strong reducing agent, in water, to produce approximately 4 nm seed particles. Subsequent reduction of more metal salt with a weak reducing agent, in the presence of structure-directing additives, leads to the controlled formation of nanorods of specified aspect ratio and can also yield other shapes of nanoparticles (stars, tetrapods, blocks, cubes, etc.). Variations in reaction conditions and crystallographic analysis of gold nanorods have led to insight into the growth mechanism of these materials. Assembly of nanorods can be driven by simple evaporation from solution or by rational design with molecular-scale connectors. Short nanorods appear to be more chemically reactive than long nanorods. Finally, optical applications in sensing and imaging, which take advantage of the visible light absorption and scattering properties of the nanorods, are discussed.     

Elliptic and Hyperelliptic Curves Over Supersimple Fields

It is proved that if F is an infinite field with characteristicdifferent from 2, whose theory is supersimple, and C is an ellipticor hyperelliptic curve over F with generic ‘modulus’,then C has a generic F-rational point. The notion of generityhere is in the sense of the supersimple field F.     

High-bandwidth transmission of an efficient photonic-crystal mode converter

We have investigated both theoretically and experimentally the spectral behavior and the transmission and reflection performance of a photonic-crystal (PhC) mode converter upon an InP substrate. This taper exhibits 70% transmission efficiency on an 80-nm bandwidth when it couples a ridge access guide to a strongly confined single-missing-row PhC guide. Such a taper design included in a PhC bend contributes a large benefit to the overall transmission budget of the PhC-based link.     

Phase-shifting windowed Fourier ridges for determination of phase derivatives

Determination of the phase or phase derivative from interferometric fringe patterns is an important task in optical interferometry. The use of wavelet ridges was recently shown to be an effective method for phase retrieval from a single fringe pattern. One necessary requirement in this method is the need for carrier frequency. In cases when carrier frequency is not available, the novel phase-shifting windowed Fourier ridges method can be used. Phase derivatives with the proper sign can be directly retrieved even in the presence of noise. An application for curvature determination from speckle shearographic fringes demonstrates the effectiveness of the method.