Computational Analysis of Many Body Interaction (MBI) Potential in Solids
Keywords:
MBI, Computational Analysis, Crystal Structures, TBI, vdW, SR, Anti-SymmetryAbstract
The difficulty of predicting stable crystal structures based on the knowledge of only the chemical composition has long puzzled the scientists and has been a stumbling block on the way to fully computational materials design. Many physical properties of the materials are predicated on the awareness of the interionic forces that bind the atoms together. Possibly, the principles of atomic bonding are the best illustrated by considering the interactions between two isolated atoms as they are brought into close proximity from an infinite separation. These differences cause difference in their mechanical, electrical and magnetic properties. It is due to the influence of these inter-atomic forces that the constituent particles of a crystal attain the positions corresponding to a minimum energy configuration and thus get bonded together. Present paper made elaborated study on the many body interactions in general and three body interaction in particular.
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