Non-Periodic Boundary Conditions

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1

Dear LAMMPS users,

I have a question regrading the “non-periodic boundary with elastic reflection behavior”. I’ve read this term in a paper. can you please tell me if it means the “shrink-wrapped” or something else?

Thanks in advance,

Regards

2

Dear LAMMPS users,

I have a question regrading the "non-periodic boundary with elastic
reflection behavior". I've read this term in a paper. can you please tell me
if it means the "shrink-wrapped" or something else?

wouldn't it be best to ask the author(s) of that paper what it means?

all we can do here is guess. i doubt it would mean shrink wrap, since
those are not reflective. my guess is that it would mean fixed
boundaries with a wall fix.

axel.

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Or you could look at fix wall/reflect.

Steve

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Or you could look at fix wall/reflect.

but would you call wall/reflect "elastic"? i'd rather call it
"nonelastic". thus i'd rather expect wall/harmonic or wall/gran, but
without knowing much about the specifics of the system, all we can do
is guess.

axel.

5

Reflections conserve kinetic energy, which may be all elastic

means in the original paper.

Steve

6

Dear Steve,

Many thanks for your help.

Dear Axel,

Many thank for your advice. The authors have used this sort of boundary to predict melting point. The paper is: http://dx.doi.org/10.1016/j.commatsci.2014.03.039

I have another question about calaculating latent heat. Can you please tell me how I can compute it?

Best wishes,

Mo

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Dear Steve,

Many thanks for your help.

Dear Axel,

Many thank for your advice. The authors have used this sort of boundary to
predict melting point. The paper is:
http://dx.doi.org/10.1016/j.commatsci.2014.03.039

i have no time to read papers on topics i don't care about. if this is
a crucial component of that model, you *definitely* need to contact
the authors of the paper.