Revisting Lennard Jones, Morse, and N-M potentials for metals

A significant source of error was found in the paper by Zhen and Davies which is highly cited for use calculating Lennard Jones N-M potential parameters. This corrected a new more easily implemented method determining parameters developed. 38 metallic elements were calculated using this addition to Morse 6-12 Molecular dynamics simulations carried out illustrate increased accuracy The predicted bulk modulus silver off approximately 40%, while generated study within 2% experimental value. Finally, discussion on limitations each type describing different systems presented. In particular, overly slow decay rate with distance addressed small values parameter “m”. • Modern methods outlined fitting pair potentials. Updated Morse, 6-12, M-N potentials metals. Discussion influence cutoff radius provided.