Recent content by ronbenin

Hi Kanato, I guess I need to find the basis vectors and also the number of basic vector for the interface to be along (110) or (111) plane and the unit cell which I again guess will be cubic. Then I need to repeat these basis vectors along all three axis to generate the crystal...

Hi Kanato, thanks for your reply. It has been very helpful. I actually want to create an interface and the z-axis should be perpendicular to the (110) plane. In another simulation, I want the z-axis to be perpendicular to the (111) plane. I still...

Dear friends, I am doing a Molecular dynamics simulations of a crystal. For this the initial configuration is FCC (face centered cubic) lattice. My problem is that I have to study the system for different orientations of the crystal i.e. (100) plane, (110) plane and (111) planes. For (100), the...

Hi, thanks a lot for your help. Ronald

Hi friends, I have a question regarding MD simulation using a LJ potential. If I take the e and sigma parameters in the LJ potential to be that corresponding to argon, and calculate some thermodynamic quantity can I convert the value of that thermodynamic quantity...