In this paper the first-principles generalized pseudopotential theory ~GPT! of transition-metal interatomic potentials @J. A. Moriarty, Phys. Rev. B 38, 3199 ~1988!# is extended to AB binary compounds and alloys. For general transition-metal ~TM! systems, the GPT total-energy functional involves a volume term, central-force pair potentials, and angular-force multi-ion potentials, which are both...

In this paper, polysiloxane is used to modify insulation paper cellulose, and molecular dynamics methods are used to evaluate the glass transition temperature and mechanical properties of the paper before and after the modification. Analysis of the static mechanical performance of the model shows that, with increasing temperature, the elastic modulus of both the modified and unmodified cellulos...

PVT (Pressure-Volume-Temperature) properties of polymers are important for both engineering and polymer physics. Fig.1 shows the typical PVT diagrams of an amorphous (a) and semi-crystalline polymer (b). PVT diagram describes the specific volume as a function of pressure and temperature. Specific volume increases with the temperature increasing. There is a thermal transition in the polymer. The...

the complexation reactions of some transition metal ions and 2-aminopyridine (2-ampy) were studied potentiometrically in aqueous solution at µ=0.1 m and 25 °c. the overall stability constants log β’s of all species are obtained by computer refinement of ph-volume data with using the best computer program. several models were tested and the best one accepted according to the least sum of squared...

High porosity (>40 vol %) iron specimens with micro- and nanoscale isotropic pores were fabricated by carrying out free pressureless spark plasma sintering (FPSPS) of submicron hollow Fe-N powders at 750 °C. Ultra-fine porous microstructures are obtained by imposing high heating rates during the preparation process. This specially designed approach not only avoids the extra procedures of adding...

We consider the classical fluctuations of the gravitational constant generated by bubbles in the inflationary universe. For extended inflation, we demonstrate numerically how and how large fluctuations are produced during bubbleexpansion. The amplitude of the fluctuations depends on the Brans-Dicke parameter ω: if ω is of the order of unity, the amplitude becomes of the order of unity within on...

The influence of a flat interface on the isotropic to nematic (I/N) phase transition was investigated for aqueous solutions of cylindrical micelles of polybutadiene-poly(ethylene oxide) block copolymers using specular neutron reflectivity. While the I/N-transition in the bulk occurs at the solute volume fraction φN/I, we observed the formation of a condensed layer close to a silicon single crys...

In the present work, a theoretical model based on the integral formalism approach for both laminar and turbulent external free convection is extended to Newtonian nanofluids. By using an empirical model for computing nanofluid viscosity, a close attention is focused first on the way the heat transfer is modified by increasing the volume fraction of nanoparticles and then to the transitional thr...

In mixed cultures where Chilomonas paramecium and Tetrahymena py?%formis W were in competition for the same dissolved food, the population size of both species (expressed in terms of total number of organisms), as well as the size and shape of individual organisms, were all affected by the presence of the other species. The size of the Chilomonas population was significantly larger in mixed tha...

A mean-field lattice theory is applied to predict the self-assembly into ordered structures of an ABC triblock copolymer in selective solvent. More specifically, the composition-temperature phase diagram has been constructed for the system (C)14(PO)12(EO)17/water, where C stands for methylene, PO for propylene oxide and EO for ethylene oxide. The model predicts thermotropic phase transitions be...