Dear all,
Some crystal will have phase transformation under high pressure, just like zeolite ZSM-5. At pressure around 2.5-3.5 Gpa, the structure of zeolite ZSM-5 will transform from (a) to (b), as shown in the figure below:
In MD simulation, at forcite module, how to realize this prodecure， which force field should I choose?
Thanks,
Best regards,
Yours
CHENG Xu
Some crystal will have phase transformation under high pressure, just like zeolite ZSM-5. At pressure around 2.5-3.5 Gpa, the structure of zeolite ZSM-5 will transform from (a) to (b), as shown in the figure below:
In MD simulation, at forcite module, how to realize this prodecure， which force field should I choose?
Thanks,
Best regards,
Yours
CHENG Xu
