Hi,
I used the fix deposit to simulate the growth progress, and I am confused about a question,
Are the structures I find with MD determined mainly by thermodynamics(i.e. the lowest energy structures) or by kinetics (i.e. the structures with the lowest activation barriers)?
Many thanks for your reply!
XJ
Hi,
I used the fix deposit to simulate the growth progress, and I am confused about a question,
Are the structures I find with MD determined mainly by thermodynamics(i.e. the lowest energy structures) or by kinetics (i.e. the structures with the lowest activation barriers)?
it can be either or a mixture or both. it depends on the
exact MD simulation protocol that you follow.
axel.
Hi, many thanks for answer.
it depends on the exact MD simulation protocol that you follow.
Could you give me some examples? for which protocol is by thermodynamics, for which is by kinetics
Many thanks
XJ
Hi, many thanks for answer.
it depends on the exact MD simulation protocol that you follow.
Could you give me some examples? for which protocol is by thermodynamics, for which is by kinetics
No. It depends on what you are simulating.
Axel