Materials Literature
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Construction of organic−inorganic hybrid materials with controlled mineralization analogous to those produced by nature is now of current interest for both organic and inorganic chemists to understand the mechanism of the natural biomineralization process as well as to seek industrial and technological applications. T…
We report the preparation of polystyrene and silica-coated Au nanorods (aspect ratio 13 with 16 nm short axis). The coating resulted in a modification of the optical properties of the Au nanorods. Dissolution of the Au core from the polystyrene- and silica-coated Au nanorods using KCN enabled the formation of hollow p…
Abstract In designing a gas‐insulated bus (GIB) using N 2 /SF 6 mixtures, there are many application problems, such as the mixture pressure needed in order to maintain the required dielectric and heat transfer performance. Problems of recycling SF 6 are also essential in applying N 2 /SF 6 mixtures. This paper present…
A complete identification and characterization of three distinct capillary instabilities in nematic liquid crystal fibers is presented. Linear stability analysis of capillary instabilities in thin nematic liquid crystalline cylindrical fibers is performed by formulating and solving the governing nematocapillary equati…
Various approaches have been demonstrated for the automatic interpretation of crystallographic data in terms of atomic models. The use of a masked Fourier-based search function has some benefits for this task. The application and optimization of this procedure is discussed in detail. The search function also acquires…
The corrosion products formed during the anodic polarization of molybdenum in 1 M KOH were investigated in situ with time-resolved X-ray absorption spectroscopy at the Mo K-edge. Near edge spectra (XANES) as well as EXAFS scans extending over approximately 1000 eV above the Mo absorption edge were measured as a functi…
Following recent x-ray diffraction experiments by Wong, Li, and Safinya on biopolymer gels, we apply Onsager excluded volume theory to a nematic mixture of rigid rods and strong " pi/2" cross-linkers obtaining a long-ranged, highly anisotropic depletion attraction between the linkers. This attraction leads to breakdow…
The anomalous signal of S atoms is easily detected at the Cu Kalpha wavelength of a non-synchrotron source with current data-collection methods. The position of sulfur and other anomalous scatterers can be located through an anomalous difference Fourier map (F+ - F-, phi(calc) - 90 degrees). It has been discovered exp…
The incorporation of chosen, non-amino acids into cyclopeptides is a promising approach to designs capable of performing specific tasks. While such hybrid cyclopeptides are common in the microbial world, there is hardly any effort by synthetic organic chemists to explore such designs for creating architecturally beaut…
A review is given of the mathematical procedures required for a molecular-replacement structure determination. These apply equally to the more frequently encountered situations where a known homologous structure can be used as a search model and to phase determination in the presence of non-crystallographic symmetry (…
Abstract Many dynamical properties of polymers, including segmental relaxation and chain diffusion, exhibit anomalies in thin‐film samples. We extend the studies of thin‐film dynamics to the case of semicrystalline polymers and present a study of the crystal growth rate for thin films of poly(ethylene oxide). We used…
Chapter 1: Introduction Chapter 2: Mechanical Aspects and Macroscopic Fracture-Surface Orientation Chapter 3: Fracture Mechanisms and Microfractographic Features Chapter 4: Fracture Modes and Macrofractographic Features Chapter 5: Failure Analysis of Composites Chapter 6: Electronic Failure Analysis Chapter 7: Case St…
We derive the gravitational and electrostatic self-energies of a particle at rest in the background of a cosmic dispiration (topological defect), finding that the particle may experience potential steps, well potentials or potential barriers depending on the nature of the interaction and also on certain properties of…
The ``14-1-11'' phase compounds based on magnetic Mn ions and typified by Ca14MnBi11 and Ba14MnBi11 show unusual magnetic behavior, but the large number (104) of atoms in the primitive cell has precluded any previous full electronic structure study. Using an efficient, local orbital based method within the local spin…
The molecular-replacement method has been extended to locate molecules and their fragments in an electron-density map. The approach is based on a new spherically averaged phased translation function. The position of the centre of mass of a search model is found prior to determination of its orientation. The orientatio…
Mesoscopic organosilicas were synthesized with bis(triethoxysilyl)ethane (BTSE) and cetyltrimethylammonium chloride (CTAC) under basic conditions. Further functionalization was achieved by co-condensation with trialkoxyorganosilanes. Surfactant extraction produced periodic mesoporous organosilicas (PMO's) functionaliz…
An account is given of the molecular replacement method as implemented in the package AMoRe. The overall strategy of the method is presented and the main functions used in the package are described. The most important features of AMoRe are the quality of the fast rotation and translation functions and the facility of…
Ab initio 6-31G* optimization of a fragment of poly(styryl sodium) and poly(α-methylstyryl sodium) composed of two monomer units in cis-configuration gives rise to low energies of the triplet state. The novel mechanism of living polymer depolymerization is proposed, involving thermal excitation into the low-lying trip…
Abstract The kinetics of the transesterification reaction between poly(ethylene terephthalate) (PET) and poly(ethylene 2,6‐naphthalate) (PEN) with and without the addition of a chain extender were studied with 1 H NMR. Different kinetic approaches were considered, and a second‐order, reversible reaction was accepted f…
PbZrO 3 (PZ) nanoparticles were synthesized through a halide- and organic-free hydrogen peroxide method at 700 °C for 2 h. Stoichiometric amounts of zirconyl nitrate and lead nitrate were dissolved in a diluted H 2 O 2 (aqueous) solution, which was slowly dropped into a solution of H 2 O 2 and NH 3 (pH = 11). The prec…