Materials Literature
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This letter reports, diamond field emitters, Cs treated, air stable, that emit electrons at the lowest reported field, <0.2 V μm−1. Field emission from B-, Li-, P-, and N-doped diamonds and carbonized polymer was characterized as a function of surface treatment. A treated with an O2 plasma, coated with Cs, heat…
The anharmonic lifetimes of zone-center optical phonons in C, Si, and Ge are calculated along with their temperature and pressure dependences, using third-order density-functional perturbation theory. Our basic ingredients are by-products of a standard linear-response calculation of phonon dispersions in the harmonic…
The stability of the flow in a half-zone configuration is analysed with the aid of direct numerical simulation. The work is concentrated on the small Prandtl numbers relevant for typical semiconductor melts. The axisymmetric thermocapillary flow is found to be unstable to a steady non-axisymmetric state with azimuthal…
Self-condensing vinyl polymerization was used to produce dendritic polymers with both highly branched structures and numerous reactive groups. A vinyl monomer will undergo self-polymerization if it contains a pendant group that can be transformed into an initiating moiety by the action of an external stimulus. The sel…
A device configuration for light emission from electroactive polymers is described. In these light-emitting electrochemical cells, a p-n junction diode is created in situ through simultaneous p-type and n-type electrochemical doping on opposite sides of a thin film of conjugated polymer that contains added electrolyte…
First-principles calculations based on density functional theory and the pseudopotential method have been used to investigate the energetics of H$_2$O adsorption on the (110) surface of TiO$_2$ and SnO$_2$. Full relaxation of all atomic positions is performed on slab systems with periodic boundary conditions, and the…
First-principles calculations based on density functional theory and the pseudo\-potential method have been used to investigate the influence of gradient corrections to the standard LDA technique on the equilibrium structure and energetics of rutile TiO$_2$ and SnO$_2$ perfect crystals and their (110) surfaces. We fin…
1. INTRODUCTION Pressure-Volume-Temperature (PVT) Data: Equilibrium and Nonequilibrium States of Polymers Scope of This Data Collection Equipment for PVT Measurements: Piston-Die Technique Confining Fluid Technique Equipment Used for Data in This Book Experimental Procedures: Stan- dard PVT Runs Sample Preparation Det…
The density-functional theory proves that an ion-electron mixture can be treated as a one-component liquid interacting only via a {\it pairwise} interaction in the evaluation of the ion-ion radial distribution function (RDF), and provides a set of integral equations: one is an integral equation for the ion-ion RDF and…
We report resonance Raman scattering (RRS) spectra and Raman excitation profiles (REP) of a system containing π dimers of identical molecular radical ions measured with laser excitation in resonance with the charge transfer (CT) transition. A Peierls–Hubbard (PH) Hamiltonian has been used to model the investigated sys…
Extensive molecular dynamics simulations have been performed on sodium disilicate glass Na2Si2O5, using realistic empirical interaction potentials. The structure of the simulated glass agrees reasonably with experimental diffraction data. Analysis of this structure is performed by a number of different methods and the…
The central parameter of the dynamically disordered hopping (DDH) model, the renewal time, is correlated with the characteristic time constant of the glass transition relaxation in polymer–salt complexes. With this identification, the frequency-dependent permittivity of these materials can be quite adequately describe…
Abstract UV‐radiation‐induced graft‐copolymerization of cotton cellulose was carried out with glycidyl methacrylate (GMA) using ceric ammonium nitrate (CAN) as a photoinitiator as well as a chemical initiator. With increase in the graft add‐on, breaking load and moisture regain of cotton decreased, so also its thermal…
We report molecular dynamics simulations of a Gay–Berne nematic liquid crystal at constant temperature and density/pressure using the generalization of an algorithm recently proposed by Toxvaerd [Phys. Rev. E 47, 343 (1993)]. On the basis of these simulations the absolute values of the Oseen–Zöcher–Frank elastic const…
Abstract Poly(ethylene) (PE) films were treated with a carbon dioxide (CO 2 ) plasma to study the formation of oxygen‐containing functional groups at the surface. Modified and nonmodified films were characterized by X‐ray photoelectron spectroscopy (XPS) and water contact angle measurements. During the CO 2 plasma tre…
We examine binary mixtures of large and small symmetric AB diblock copolymers using self-consistent field theory. In accord with experiment, we find that when the ratio of their polymerization indexes exceeds about 1:5, they become immiscible producing a coexistence between long- and short-period lamellar phases. As i…
Thermal excitation of adsorbed oxygen species is found to initiate the CO oxidation on Pt(111). We have prepared three different coadsorption systems to study the reactivity of different oxygen species; (1) CO on the O2 preadsorbed Pt(111) surface, (2) CO on the nearly perfect Pt(111) p(2×2)-O surface, and (3) CO on t…
A molecular theory is presented for the dynamics of small-molecule nematic liquid crystals in shear flow. The flow-alignment angle is predicted to depend on the aspect ratio of the liquid crystal molecules, as well as the second and fourth moments, P2 and P4 of the distribution of molecules about the nematic director.…
The Stokes–Einstein and Stokes–Einstein–Debye relations hold well in nonsupercooled liquids; however, sizeable deviations from the former appear in supercooled liquids, leading to a ‘‘decoupling’’ of translational diffusion from viscosity and reorientational relaxation. We attribute this breakdown and this ‘‘decouplin…
The magnetostrictive stress for a ${\mathrm{Ho}}_{6}/{Y}_{6}$ superlattice has been determined at low temperatures by means of a capacitive cantilever technique. The magnetostrictive stress responsible for the basal plane distortion is found to be strongly enhanced with respect to bulk holmium. An explanation accounti…