Mathematical modeling of crystallization analysis fractionation (Crystaf) of polyethylene

Four polyethylene samples (PE) with different molecular weight distributions (MWD) were analyzed by crystallization analysis fractionation (Crystaf) at several cooling rates to investigate the effect of MWD and cooling rate on their Crystaf profiles. Using these results, we developed a mathematical model for Crystaf that considers crystallization kinetic effects, which are ignored in all previous Crystaf models. The Crystaf model we proposed can fit the experimental Crystaf profiles of the 4 polyethylene resins very well. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 2749–2759, 2006     

The effect of microwave annealing on the electrical characteristics of lanthanum doped bismuth titanate films obtained by the polymeric precursor method

Lanthanum doped bismuth titanate thin films (Bi_3.25La_0.75Ti₃O₁₂ - BLT) were produced by the polymeric precursor method and crystallized in a domestic microwave oven and in conventional furnace. Using platinum coated silicon substrates configuration, ferroelectric properties of the films were determined with remanent polarization P_r and a coercive field E_c of 3.9 μC/cm² and 70 kV/cm for the film annealed in the microwave oven and 20 μC/cm² and 52 kV/cm for the film annealed in conventional furnace, respectively. The films annealed in conventional furnace exhibited excellent retention-free characteristics at low infant periods indicating that BLT thin films can be a promise material for use in non-volatile memories. On the other hand, the pinning of domains wall causes a strong decay at low infant periods for the films annealed in the microwave furnace which makes undesireable the application for future FeRAMS memories.     

Should Epstein strip arrangement be changed?

The paper describes effect of texture on the anisotropy of magnetic properties and shows that an Epstein strip arrangement including strips cut in a direction 45° to the rolling direction gives property values that are closer to the average values than the traditional RD+TD arrangement.     

On the phase structure of the compact abelian lattice Higgs model

This paper studies the vacuum overlap order parameter proposed by Fredenhagen and Marcu in the case of the compactU(1) gauge model with the Wilson action coupled to a Higgs field with fixed length ||=1. The existence of two distinct phases inD space-time dimensions (D4) is established.     

Adsorption of poly(ethylene glycol)s on mercury/aqueous solution interface 1. Kinetics of PEG 8000 adsorption

In order to study the influence of the adsorption of fulvic compounds on voltammetric signals and to understand better the adsorption of these compounds on hydrophobic natural water interfaces, adsorption studies of macromolecules such as poly(ethylene glycol) (HO(CH₂CH₂O)_n) with molecular weight of 8000 were done on the mercury/water interface by a.c. voltammetry at the potential of zero charge. The maximum surface concentration, adsorption equilibrium constant and adsorption rate constant have been determined from the global adsorption mechanism, controlled by two determining steps: diffusion and kinetics of adsorption at the interface.     

Fibers and 3D mesh scaffolds from biodegradable starch-based blends: production and characterization

The aim of this work is the production of fibers from biodegradable polymers to obtain 3D scaffolds for tissue engineering of hard tissues. The scaffolds required for this highly demanding application need to have, as well as the biological and mechanical characteristics, a high degree of porosity with suitable dimensions for cell seeding and proliferation. Furthermore, the open cell porosity should have adequate interconnectivity for a continuous flow of nutrients and outflow of cell metabolic residues as well as to allow cell growth into confluent layers. Blends of corn starch, a natural biodegradable polymer, with other synthetic polymers (poly(ethylene vinyl alcohol), poly(epsilon-caprolactone), poly(lactic acid)) were selected for this work because of their good balance of properties, namely biocompatibility, processability and mechanical properties. Melt spinning was used to produce fibers from all the blends and 3D meshes from one of the starch-poly(lactic acid) blends. The experimental characterization included the evaluation of the tensile mechanical properties and thermal properties of the fibers and the compression stiffness, porosity and degradation behavior of the 3D meshes. Light microscopy picture of 3D meshes.     

The search for a new model structure of β-Factor XIIa

We present the search for a new model of -factor XIIa, a blood coagulation enzyme, with an unknown experimental 3D-structure. We decided to build not one but three different models using different homologous proteins as well as different techniques and different modellers. Additional studies, including extensive molecular dynamics simulations on the solvated state, allowed us to draw several conclusions concerning homology modelling, in general, and -factor XIIa, in particular.     

A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides

A systematic study of the bulk and surface geometrical and electronic properties of a series of transition-metal carbides (TMC with TM = Ti, V, Zr, Nb, Mo, Hf, Ta, and W) by first-principles methods is presented. It is shown that in these materials the chemical bonding is strongly covalent, the cohesive energies being directly related to the bonding-antibonding gap although the shift of the center of the C(2s) band related peak in the density of states with respect to diamond indicates that some metal to carbon charge transfer does also take place. The (001) face of these metal carbides exhibits a noticeable surface rumpling which grows along the series. It is shown that neglecting surface relaxation results in very large errors on the surface energy and work function. The surface formation induces a significant shift of electronic energy levels with respect to the corresponding values in the bulk. The extent and nature of the shift can be understood from simple bonding-antibonding arguments and is enhanced by the structural rippling of this surface.