Materials Literature
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A series of gold clusters spanning the size range from Au6 through Au147 (with diameters from 0.7 to 1.7 nm) in icosahedral, octahedral, and cuboctahedral structure has been theoretically investigated by means of a scalar relativistic all-electron density functional method. One of the main objectives of this work was…
Sea urchin larvae form an endoskeleton composed of a pair of spicules. For more than a century it has been stated that each spicule comprises a single crystal of the CaCO3 mineral, calcite. We show that an additional mineral phase, amorphous calcium carbonate, is present in the sea urchin larval spicule, and that this…
The overall isothermal crystallization kinetics for neat polypropylene and grafted polypropylene systems were investigated. The rate constants were corrected assuming the heterogeneous nucleation and three dimensional growth of polypropylene spherulites. A semiempirical equation for the radial growth rate of polypropy…
Blends of liquid crystalline poly(oxybenzoate-co-oxynaphthalate) (Vectra A950) and polycarbonate (PC) were prepared by adding a compatibilizer to the two polymers in a melt-blending process. The compatibilizer was based on controlled transesterification between synthesized poly(oxybenzoate-co-terephthalate) (40/60) an…
Magnetic flux leakage (MFL) is used for in-line inspection of underground oil and gas pipelines. MFL signals are sensitive to the line pressure which should be taken into account when estimating the sizes of defects. MFL signals have been studied from electrochemically milled pits with 50% penetration in pipeline stee…
A systematic quantitative method for the selection of models for the high-conversion free radical polymerization exhibiting gel and glass effects has been developed. Four representative models were selected from the literature and were compared on the basis of the same experimental data. All models describe the isothe…
This paper is aimed at calculating the onset voltage of negative corona in rod - plane gaps as influenced by the presence of a dielectric barrier located either parallel or normal to the gap axis. The effect of the barrier thickness, permittivity and location with respect to the stressed rod on the calculated onset vo…
Phosphate-polyester copolymers were synthesized from spirocyclic pentaerythritol di(phosphate acid monochloride)s (SPDPC), which is an intumescent, phosphate flame retardant. Because of the new monomer being introduced, the structure and properties of the polyester were altered. The effects of the phosphate on the pro…
The theoretical background, methodology and some applications of atomistic simulation of interfaces in materials are described in this paper. Interfaces between crystalline solids and polymers as well as between two polymers can be simulated using the methods described. Applications include various interfaces in a mul…
A di- or triaziridinyl compound served as the latent curing agent for the prepared carboxylic groups containing aqueous-based polyurethane (PU) dispersions. It was formulated as a single pack self-curable aqueous-based PU system. This system was stable under an alkaline environment and its curing reaction could be ini…
Small water droplets dispersed in a nematic liquid crystal exhibit a novel class of colloidal interactions, arising from the orientational elastic energy of the anisotropic host fluid. These interactions include a short-range repulsion and a long-range dipolar attraction, and they lead to the formation of anisotropic…
Frequencies of transverse acoustic phonons were measured by inelastic neutron scattering on single crystals of the organic superconductor κ − (BEDT − TTF)2Cu(NCS)2. Significant frequency changes were observed for phonon energies close to the superconducting energy gap 2Δ on cooling the sample below the superconducting…
This graduate/research level text introduces the theory of multi-electron transitions in atomic, molecular and optical physics, emphasising the emerging topic of dynamic electron correlation. The book begins with an overview of simple binomial probabilities, classical scattering theory, quantum scattering and correlat…
We present a Molecular Dynamics study of large Lennard-Jones clusters evolving on a crystalline surface. The static and the dynamic properties of the cluster are described. We find that large clusters can diffuse rapidly, as experimentally observed. The role of the mismatch between the lattice parameters of the cluste…
Introduction - definitions, classifications and applications. Part 1 Constituents: fibres, fabrics and fillers matrix resins and fibre/matrix adhesion. Part 2 Mechanics: micromechanics mechanics of laminated structures mechanics of woven fabric composites fracture and damage mechanics in laminated composites. Part 3 P…
Classical density-functional theory is employed to study finite-temperature trends in the relative stabilities of one-component quasicrystals interacting via effective metallic pair potentials derived from pseudopotential theory. Comparing the free energies of several periodic crystals and rational approximant models…
The temperature dependence of the critical scattering above and the order parameter below have been measured for sodium nitrate using time-of flight neutron diffraction. Sodium nitrate undergoes a structural phase transition from a low-temperature rhombohedral structure to a high-temperature structure which is charact…
A series of interstitial nitrides with has been prepared for R = Ce, Nd, Sm, Gd, Tb, Dy or Y. The nitrides have structures related to , but the unit-cell volumes are 4.7 - 6.6% greater and the magnetic ordering temperatures some 224 - 361 K higher than those of the parent compounds, and the saturation magnetizations a…
We report the successful deposition of highly c-axis oriented CaBi2Nb2O9 (CBN) thin films directly on p-type Si(100) substrates by pulsed laser deposition. The CBN thin films exhibited good structural, dielectric, and CBN/Si interface characteristics. The electrical measurements were conducted on CBN thin films in a m…
The low-temperature - high-temperature rhombohedral-ferroelectric phase transition and the rhombohedral-ferroelectric - cubic-paraelectric phase transition in Nb-doped ceramics (x = 0.05 and 0.25) were investigated using dielectric and resonance frequency measurements. The dielectric behaviour in PZT(Nb)95/5 is found…