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In this paper, electronic and structural properties such as lattice constant, energy band structure, and density of states of InP in bulk and nanowire are calculated. The calculations have been performed using the Pseudopotential method in the framework of density functional theory (DFT) with local density approximation (LDA), and generalized gradient approximation (GGA) by Quantum Espresso package. The results show a direct bandgap of 1.4 eV at the Γ point in the Brillouin zone and have not cut the Fermi level, with a good agreement with the available experimental results. Also, band structure in nanowires of about 1.49 eV was calculated, which shows an increased bulk state. The calculated results show good agreement with the available experimental results.

In this research, the use of the exact difference method forcing scheme in the pseudo-potential multiphase model is suggested for the simulation of a droplet impact on a thin liquid film at a density ratio of 1000, and the effect of inertia, surface tension, and gravity forces are considered by means of their corresponding non-dimensional numbers (i.e. the Reynolds, Weber, and Bond numbers). For this reason, the Palabos open source software is modified by implementing the exact difference method in it. The results of our simulations in different Reynolds and Weber numbers show that the Weber number has a slight influence on the crown layer radius, meanwhile, the Reynolds number has a direct effect on the crown radius. The crown height is increased with an increase in the Reynolds and Weber numbers. Furthermore, the comparison between the pseudopotential model simulations and the free-energy model shows that crown shape is related on the surface tension in addition to the non- dimensional numbers and with a noticeable increase in surface tension the crown tip becomes bigger. The influence of the gravity force is investigated through the Bond number. According to the results, the crown height is noticeably affected by the Bond number. When the Bond number decreases, the crown radius and height increase. Therefore, the proposed model with the capability of being used for multiphase problems with large density ratios while producing a low spurious current could be utilized for a vast variety of other multiphase problems as well. [ABSTRACT FROM AUTHOR]