Dear mail list users
I am considering to do high cascade using relatively small number of atoms no more than 3000 atoms,
I have found there must be sevreal methods to apply to the border atoms to extract heat from the system.
So my question is which thermostat would be the good choice :
1-A Nose–Hoover thermostat
2- fix temp/berendsen command
3-fix langevin command
The 3rd one i tried shows the system reach to the Temp we set after few
number of picoseconds, but i am not sure if this approach is correct or not,
I almost new in MD calculations and we appreciate your advice and comments either ways
so i would like to konw the diffrence between using those thermostates and the best to use for small number of atoms and applying energy collissions greater than 10k eV ~ 100 k eV
Thank you
Jom ahn
Dear mail list users
I am considering to do high cascade using relatively small number of atoms
no more than 3000 atoms,
I have found there must be sevreal methods to apply to the border atoms to
extract heat from the system.
So my question is which thermostat would be the good choice :
1-A Nose–Hoover thermostat
2- fix temp/berendsen command
<http://lammps.sandia.gov/doc/fix_temp_berendsen.html>
3-fix langevin command <http://lammps.sandia.gov/doc/fix_langevin.html>
The 3rd one i tried shows the system reach to the Temp we set after few
number of picoseconds, but i am not sure if this approach is correct or
not,
this is not a LAMMPS question, but a question about your science.
please revert to the appropriate sources like published literature,
advisers, collaborators.
this mailing list is focused on issues specific to LAMMPS and your inquiry
is not at all in that category.
axel.