I am new to lammps and i want to use lammps to do the CNB cuting tool to cut the steel(Fe-c alloy).For there are many atoms ,the hybrid potentials is so difficult that i can’t write the lammps code correctly.
pair_style hybrid tersoff eam/fs lj/cut 2.5
pair_coeff * * tersoff BNC.tersoff C C B N
pair_coeff 3 4 eam/fs Fe-C.eam.fs Fe C NULL NULL
pair_coeff 1 3 lj/cut 0.00759200 3.5 9.7625
I want to use the tersoff between atom 3 and 4 ,while use eam/fs between atom 1 and 2 ,how should i write the lammps code?
best regards
Yao
College of Mechanical Engineering, Donghua University
Room 3034, academy building 4, 2999 North Renmin Road, Songjiang District
Shanghai, 201620, China
Tel: 86-159-0160-8286
Email: liuyao13@…8…