Good afternoon.
How can I optimally and correctly change the mass value of a single atom (of the same type as all atoms in the system) in the lammps script, if the mass value is already initially set in the potential for that type of atom?
How can we establish that the mass has really started to affect the dynamics, what are some ways to do this?
(There is only one chemical element in the whole system).
Misha Urazaliev
If you set your atom style to granular:
https://docs.lammps.org/atom_style.html
Place your atom in a group.
You can change your atom diameter (thereby it's mass) with fix adapt:
https://docs.lammps.org/fix_adapt.html
Do you mean atom_style sphere? Is it correct to use atomic style atomic in my case?
Please read the fix adapt documentation.
https://docs.lammps.org/fix_adapt.html
You can use it to change the diameter of particles in a specific group, for example:
fix 1 all adapt 10 atom diameter v_size
If you use atom style granular you set a mass density for particles, so when you change the particle diameter you also change it's mass.
There may be other ways to accomplish this task.
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