Thank you Axel
Thank you Axel
My particles are about 3-4 micros and it exists some formulations to solve
the time scale problem. I have simulated the sintering of nano-particles.
What I want to do now is to find a bridge between nanoscale and microscale,
it’s why I think about learning ATC package.
...and this is why i think that you have not thought this through. the
"bridge" you are looking for would be a *input* for AtC coupling, not
something that you would be able to determine with it.
remember, that for the time scales you are confined to the time scale
of atomic scale simulations, so any process happening on the
macroscale will be stationary.
on the atomic scale, your nano particle will be indistinguishable from
a bulk system within the error margins of classical MD models.
axel.
Yeah, I see. However, because the sintering process is at low temperature (about 500K), only a very small interconnection part between the two microparticles will be sintered. The rest part, most part of particles, would be seen as stationary.
Furthurmore, I have another problem, I ran the AtC exemples of LAMMPS and .case file was producted. But I cannot open it with EnSight. Always ‘error reading datas’ appeared. So any help of this?
Best regards
Yeah, I see. However, because the sintering process is at low temperature
(about 500K), only a very small interconnection part between the two
microparticles will be sintered. The rest part, most part of particles,
would be seen as stationary.
that is irrelevant for the considerations i mentioned. in fact, what
you say here, speaks even more in favor of simply looking at carefully
chosen all-atomic scale studies of parts of the process. in my opinion
again, you don't seem to be considering time scales and length scales
properly. e.g. at the diameter of your particles, you cannot visually
distinguish the surface of a spherical particle from a flat surface.
and what about surface roughness? are your particles single crystals
or rather multi-crystal compounds with lots of different lattice
orientations and resulting sub domains and domain boundaries?
using AtC would be to study mechanical properties of the final
compound. and even there, it would require a carefully selected
subsystem. everything you said and explained so far points toward
looking at a mesoscale model as the proper tool for what you want to
do.
Furthurmore, I have another problem, I ran the AtC exemples of LAMMPS and
.case file was producted. But I cannot open it with EnSight. Always ‘error
reading datas’ appeared. So any help of this?
no. i don't use ensight. does it say anywhere, that those files are
supposed to be readable by it?
axel.