A Mechanistic Study of Clustering and Diffusion of Molybdenum and Rhenium Atoms in Liquid Sodium

Liquid Na is widely used as the heat transfer medium in high-temperature heat pipes based on Mo-Re alloys. In this study, ab initio molecular dynamics are employed in order to understand the interactions between the Na solvent and Mo or Re solute in the liquid phase. Both the temperature and concentration effects on the clustering and diffusion behaviors of solute atoms are investigated. It is found that Mo2 and Re2 dimers can be stabilized in liquid Na, and the higher temperature leads to a stronger binding force. Pure Re and Mo-Re mixed solutes can form tetramers at the highest concentration. However, for the pure Mo solute, Mo4 is not observed. The diffusivities of a single solute atom and clusters are calculated. It is found that the Mo species diffuse faster than the Re species, and the diffusivity decreases as the cluster size increases.

Temperature and Concentration Effects on Oscillatory Flow for Variable Viscosity Carreau Fluid through an Inclined Porous Channel

The aim of this paper is to study the combined effects of the concentration and the thermo-diffusion on the unsteady oscillation flow of an incompressible Carreau fluid through an inclined porous channel. The temperature is assumed to affect exponentially the fluid's viscosity. We studied fluid flow in an inclined channel under the non-slip condition at the wall. We used the perturbation series method to solve the nonlinear partial differential equations. Numerical results were obtained for velocity distribution, and through the graphs, it was found that the velocity of fluid has a direct relation with Soret number, Peclet number, and Grashof number, while it has a reverse variation with chemical reaction, Schmidt number, frequency of oscillation, and Froude number.

Rational direct synthesis of [Fe(Htrz)2(trz)](BF4) polymorphs: temperature and concentration effects.

The [Fe(Htrz)2trz](BF4) compound is probably the most studied in the spin crossover (SCO) community since it exhibits switching properties with a large temperature range of memory effect, just above room...