2-Point Polarizable model of Silver and parameters
Description
It is a 2-point polarizable model of silver, which brings in the instantaneous polarization effect due to induced charges, triggered by charged external agents. This phenomenon had been missing in all the literature and this model reproduces density, lattice parameters and strongly follows the classical image potential curve. Surface cleavage and water interfacial were also computed with this model and found consistent with the experimental data. Additionally, nanoindentation was also performed and the results complied with the Hertz theory. 1. ImagePotential: It is the most vital development of this project, where the primary formulation of the two-point model is carried out and an exhibition of how the model surface responds to the presence of Sodium cation is also presented. 2.LatticeParameters& Density: The LJ parameters are tuned to find the best to match the Lattice parameters and the density. 3.SurfaceEnergy: The Primary validation is done by comparing the surface cleavage energy against the experimental. 4. InterfacialEnergy: Interactions of the developed model with water are analyzed. 5. UnitCells: It contains unit cells of the developed model.