Materials Literature
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To study the shape formation process of carbon nanotubes, a string equation describing the possible existing shapes of the axis curve of multishell carbon tubes (MCTs) is obtained in the continuum limit by minimizing the shape energy. It is shown that there exists a threshold relation of the outmost and inmost radii t…
Many properties of glass-forming systems can be explained in terms of their multidimensional potential energy landscape. Here the total potential energy landscape of a small glass-forming system with periodic boundary conditions is determined numerically. An appropriate one-dimensional projection is introduced. It all…
First-principles calculations show that the defect pair $({2V}_{\mathrm{Cu}}^{\ensuremath{-}}+{\mathrm{In}}_{\mathrm{Cu}}^{+})$ in CuInS${\mathrm{e}}_{2}$ has an unusually low formation energy, due both to the relative ease of forming Cu vacancies $({V}_{\mathrm{Cu}})$ and to the attractive interactions between ${V}_{…
To describe structural peculiarities in inhomogeneous media caused by the tendency to the close packing of atoms a formalism based on the using of the Riemann geometry methods (which were successfully applied lately to the description of structures of quasicrystals and glasses) is developed. Basing on this formalism w…
We present self-consistent ab-initio total-energy and electronic-structure calculations on stoichiometric and non-stoichiometric TiO2 (110) surfaces. Scanning tunneling microscopy (STM) topographs are simulated by calculating the local electronic density of states over an energy window appropriate for the experimental…
The development of surface-enhanced Raman scattering substrates suitable for in situ environmental analysis is presented. Sol-gel techniques are introduced to improve the mechanical stability of an existing active substrate type, to develop a new type of SERS active medium and finally to improve the sensitivity of sub…
The effect of crosslinking of polyamide 11 and butadiene-acrylonitrile copolymer (nitrile rubber) was studied. The effect of static and dynamic crosslinking on blending are described. Static and dynamic crosslinking do not significantly improve impact strength of low-rubber-content PA11/NBR blends. For blends with dyn…
Poly(butylene terephthalate) (PBT), a thermoplastic polyester, was melt blended with acrylonitrile-butadiene-styrene (ABS) terpolymer using styrene-maleic anhydride (SMA) as the compatibilizer. The PBT : ABS ratio was fixed at 70 : 30 by weight and weight percent (wt %) of SMA was varied as 2.5, 5, and 7.5. The effect…
Isothermal melt and cold crystallization kinetics of PEDEKmK linked by meta-phenyl and biphenyl were investigated by differential scanning calorimetry in two temperature regions. Avrami analysis is used to describe the primary stages of the melt and cold crystallization, with exponent n = 2 and n = 4, respectively. Th…
The morphological changes of blends of nylon-6 and acrylonitrile-butadiene-styrene (ABS) with reactive compatibilizer [poly(N-phenylmaleimide-styrene-maleic anhydride)] as a function of viscosity ratio of the components, concentration of compatibilizer, and the feed rate have been studied using an intermeshing corotat…
A relationship between heat generation of filled rubber vulcanizates and hysteresis loss, specific heat, thermal conductivity, modulus, filler loading, structure, and surface area of the filler, the temperature difference between application temperature and glass transition temperature, frequency, temperature differen…
The Chemistry of Polymers, 5th Edition, is fully updated with the latest developments in polymer science providing a highly readable textbook for those requiring a broad overview of the subject. Like previous editions, the book continues to explore the subject from an applications point of view, providing a comprehens…
Mass transport properties of silicate liquids exhibit complex behavior as a function of pressure, as the tetrahedral framework structure of the liquid shifts to a more compact arrangement of atoms. For highly polymerized aluminosilicate liquids, oxygen diffusivities pass through a maximum at pressures below 10 gigapas…
The shape memory behavior of a series of polycaprolactone/methane diisocyanate/butanediol (PCL/MDI/BDO) segmented polyurethanes of different composition was studied. The molecular weight of PCL diols was in the range of 1600–7000, and the hard segment content varied from 7.8 to 27% by weight. Film specimens for shape…
Garito and co-workers have suggested a mechanism to dramatically increase the second hyperpolarizability, gamma, in linear pi-electron-conjugated molecules. Polarization is introduced that leads to a difference between the dipole moments of the molecule's ground state and excited state. Here a series of carotenoids wa…
Fourier transform infrared measurements on the spectra of the products of the evaporation of silicon/carbon mixtures trapped in Ar at ∼10 K, combined with the results of ab initio calculations published earlier, and density functional theory (DFT) calculations carried out in the present work, have resulted in the dete…
The (PZT 53/47) and (PZT 20/80) films deposited on substrates by RF magnetron sputtering are single-phase epitaxial films. In order to prevent large thermal stresses being induced in the films during the preparation process, the PZT films were cooled slowly through the Curie temperature. Scanning electron microscopy (…
The conductivity of -doped emeraldine polymers is studied as a function of temperature in the range . The dopant concentration of the samples varies between 0.1 M and 1.0 M. The temperature dependence of the dc electrical conductivity gives evidence for a transport mechanism based on variable-range hopping in three di…
The results of a density-functional-theory study of the formation energies of (100)- and (111)-faceted steps on the Pt(111) surface, as well as of the barrier for diffusion of an adatom on the flat surface, are presented. The step formation energies are found to be in a ratio of 0.88 in favour of the (111)-faceted ste…
We perform extensive simulations of $10^4$ Lennard-Jones particles to study the effect of particle size dispersity on the thermodynamic stability of two-dimensional solids. We find a novel phase diagram in the dispersity-density parameter space. We observe that for large values of the density there is a threshold valu…