Dear Prof. Plimpton,
I am going to simulate the Dynamic Response under harmonic excitation in metallic material. However, I have some questions needing your help:
Is LAMMPS valid for such simulation?
Is EAM potential suitable to describe the interatomic force in such problem?
Can you recommend me some LAMMPS Commands to apply harmonic excitation?
Thanks.
Sincerely yours,
H. Wei
Dear Prof. Plimpton,
I am going to simulate the Dynamic Response under harmonic excitation in
metallic material. However, I have some questions needing your help:1) Is LAMMPS valid for such simulation?
what does "valid" mean in this context?
LAMMPS can do classical MD and it can
do periodic external forces or periodically
moving particles
2) Is EAM potential suitable to describe the interatomic force in such
problem?
that depends on your material. you'll have to check independently
if the EAM parameters that you choose is suitable for the kind
of accuracy that you want.
3) Can you recommend me some LAMMPS Commands to apply harmonic excitation?
you probably want to look at fix setforce and using an equal style variable.
have a good look at the documentation and the examples.
axel.
2012/3/24 Axel Kohlmeyer <[email protected]>
Dear Prof. Plimpton,
I am going to simulate the Dynamic Response under harmonic excitation in
metallic material. However, I have some questions needing your help:
- Is LAMMPS valid for such simulation?
what does “valid” mean in this context?
LAMMPS can do classical MD and it can
do periodic external forces or periodically
moving particles
- Is EAM potential suitable to describe the interatomic force in such
problem?that depends on your material. you’ll have to check independently
if the EAM parameters that you choose is suitable for the kind
of accuracy that you want.
Because it’s the metallic material (Cu or Ni) I want to simulate. And it’s known that the thermal conductivity of metallic material can not be acquired by using LAMMPS, for it can not acquire the electronic thermal conductivity due to the limitation of the classic MD simulation. I want to know whether LAMMPS is competent to simulate the Dynamic Response under harmonic excitation in
metallic material, and whether there are quantum effect or some other effects resulted from the electrons in the Dynamic Response of metallic material (for some equivalent treatment are done about the electrons ) .
> Dear Prof. Plimpton,
>
>
> I am going to simulate the Dynamic Response under harmonic excitation in
> metallic material. However, I have some questions needing your help:
>
>
>
> 1) Is LAMMPS valid for such simulation?what does "valid" mean in this context?
LAMMPS can do classical MD and it can
do periodic external forces or periodically
moving particles> 2) Is EAM potential suitable to describe the interatomic force in such
> problem?that depends on your material. you'll have to check independently
if the EAM parameters that you choose is suitable for the kind
of accuracy that you want.Because it's the metallic material (Cu or Ni) I want to simulate. And it's
known that the thermal conductivity of metallic material can not be acquired
by using LAMMPS, for it can not acquire the electronic thermal conductivity
due to the limitation of the classic MD simulation. I want to know whether
LAMMPS is competent to simulate the Dynamic Response under harmonic
excitation in
metallic material, and whether there are quantum effect or some other
effects resulted from the electrons in the Dynamic Response of metallic
material (for some equivalent treatment are done about the electrons ) .
the answer to this kind of question is usually not found
on mailing lists, but through studying of the published literature.
a simulation software can only provide the tools, e.g.
there is fix ttm to simulate heat transfer through metals.
http://lammps.sandia.gov/doc/fix_ttm.html
however, if that is a suitable tools for your specific problem,
is up to you to decide. i can only recommend to look up
the description of the models and methods from references
given in the documentation, perhaps make some tests and
verify for yourself, if this is a suitably correct approach.
i am sorry, if that is too generic of an answer,
but that is all i can offer.
axel.