Dear All

I have layered structure made of Materials “1” and “2” with their corresponding lattice parameters “a1” and “a2”. My aim is to calculate the strain distribution inside the layered system ( color-coded image ) by means of equation (14) and (15) from from this article: Ken-ichi Saitoh, Wing Kam Liu “Molecular dynamics study of surface effect on martensitic cubic-to-tetragonal transformation in Ni–Al alloy”, Computational Materials Science 46 (2009) 531–544. My difficulty is, how to write equations (14) and (15) in LAMMPS script?

Regards,

Sergey

saitoh2009.pdf (3.16 MB)