[lammps-users] potentials for white tin

Dear all,

As we known, tin usually has two different structures: when temperature is below 13.2° , it is what we usually called gray or α-tin with a diamond structure, however, on warming, it will change into white or β-tin which has a body-centered tetragonal structure.

It seems that a MEAM potential for gray tin is included in LAMMPS’s package, however, I want to perform the simulation of white tin, so could anyone tell me something about the potential for white tin?

thanks
Qingjie

Please ask Greg Wagner this Q - gjwagne at sandia.gov

Steve

2010/8/25 qingjie li <[email protected]>: