Silicon boundary simulation


I am an undergraduate just getting started using lammps. I’m working on a research project involving modeling the solid-liquid boundary of silicon. Does anyone have any input files that produce similar models that I could reference. Or could anyone provide advice on which commands could be used to fix the temperature for two of the walls and then calculate the temperature gradient between them.


Kelly Mulvehill

Clarkson Honors Program

Mechanical Engineering and Mathematics '15
Clarkson Women’s Swimming


your first point of contact for questions like these should be your
adviser. a mailing list is a bad place to look for the kind of advice
you are asking for and as a "newbie" you should not immediately start
with a complex research project. but rather build your skills using
simple models first and trying to understand them until you have
accumulated the "toolkit" to actually do the research work you intend.
bypassing this progression and jumping right ahead while using inputs
from somebody else is likely to lead to a lot frustration and
problems, since you'll not be able to tell where mistakes are
happening. while executing a simulation it often quite easy, there is
also a lot of background knowledge required to make it a meaningful
calculation with useful data to extract.