Abstract
In this study, a bond order type interatomic potential for Al-N systems is developed in the framework of a generalized method for potential development proposed by our group. Extended Tersoff potential function is employed for the potential function. In case of potential parameters for pure Al, lattice constants and cohesive energies of polytypes and elastic constants of FCC phase are fitted to. In case of those for pure N, lattice constants and cohesive energies of polytypes, vibration number of dimer and bulk modulus of diamond are fitted to. In case of those for the Al-N interaction, lattice constants and cohesive energies of binary crystals that involve various coordination numbers and wide range of bond angles. Potential parameters are optimized by using genetic algorithms. The developed potential well reproduces Al-N systems.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
