Materials Literature
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We have studied nucleation and growth characteristics of diamond on nickel with AlN buffer layers. The diamond deposits on partially filled 3-d shell transition metals such as Ni, Fe, and Co usually result in the formation of interposing graphite layers which cause poor adhesion of diamond overlayers. To minimize and…
A semiconductor-metal transition occurring just below the Curie temperature T C was observed in single crystals of perovskite La 1-x Sr x MnO 3 for x>or=0.175. For x<or=0.15 the crystals exhibit only semiconducting behaviour. These transport properties are closely connected with the electron transfer mediated by the d…
In combination with scanning electron microscopy and x-ray pole-figure analysis high resolution electron microscope (HREM) observation of the diamond-silicon cross section in a 〈001〉 epitaxially oriented diamond film was carried out to investigate the atomic interfacial microstructure. The films were prepared by micro…
Lithium oxide has been suggested as a suitable breeder blanket material for fusion reactors. Tritium ions and lithium vacancies are created by neutron irradiation, forming bulk defect complexes whose exact character is experimentally unclear. We have used ab initio total energy pseudopotential methods to study the str…
Laser ablation of a BiSrCaCuO target is performed both in vacuum and in an oxygen pressure of 0.1 mbar. Two substrates are located in the chamber in order to study the role of re-emission processes from the growing film and/or the scattering of the ablated species by an oxygen atmosphere. The results indicate that re-…
Electron paramagnetic resonance (EPR), optical absorption, and photoluminescence (PL) spectroscopy have been combined to characterize Pb-doped ZnO ceramic powders. We observe a decrease in the 2.26 eV emission peak and a concomitant smearing of the band edges, narrowing the effective gap of the grains to ≊2 eV with in…
This letter reports, diamond field emitters, Cs treated, air stable, that emit electrons at the lowest reported field, &lt;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…