Hi Everyone,
I am doing 2d simulation of Yukawa particles. I have made a wall of particles.
Particle- particle and wall- particle interaction is Yukawa.
I want to define different kappa and cutoff for wall and simulation particles.
Can i define this?
Hi Everyone,
I am doing 2d simulation of Yukawa particles. I have made a wall of
particles.
Particle- particle and wall- particle interaction is Yukawa.
I want to define different kappa and cutoff for wall and simulation
particles.
Can i define this?
sure? just make them different atom types. each pair of atom type must
have a (potentially different) set of parameters defined for
interactions between them.
axel.
I think you are talking about pair coefficient (potential strength).
But i am interested in screening length. If i define pair style such as-
pair_style yukawa kappa cutoff
Then it define kappa and cutoff for all type not for a single type.
Thank you in advance.
Regards
Sandeep Kumar
Research Scholar
Basic Theory and Simulation Group,
Institute for Plasma Research
Gandhinagar, Gujarat - 382428, India
http://www.ipr.res.in/~theory/ Scholars/sandeep/sandeep.htm
Hi Everyone,
I am doing 2d simulation of Yukawa particles. I have made a wall of
particles.
Particle- particle and wall- particle interaction is Yukawa.
I want to define different kappa and cutoff for wall and simulation
particles.
Can i define this?
sure? just make them different atom types. each pair of atom type must
have a (potentially different) set of parameters defined for
interactions between them.
axel.
I think you are talking about pair coefficient (potential strength).
But i am interested in screening length. If i define pair style such as-
pair_style yukawa kappa cutoff
Then it define kappa and cutoff for all type not for a single type.
well, technically that is possible with pair style hybrid. just define
yukawa multiple times with different settings and then assign pairs of
atoms types to the set you want. whether this is a consistent and
meaningful model is a different question...
axel.
By hybrid style Lammps read yukawa setting multiple times. But how he knows particular
setting of kappa and cutoff is for 1 1 interaction or 1 2 interaction or 2 2 interaction.
Sadeep
I think you are talking about pair coefficient (potential strength).
But i am interested in screening length. If i define pair style such as-
pair_style yukawa kappa cutoff
Then it define kappa and cutoff for all type not for a single type.
well, technically that is possible with pair style hybrid. just define
yukawa multiple times with different settings and then assign pairs of
atoms types to the set you want. whether this is a consistent and
meaningful model is a different question…
axel.
By hybrid style Lammps read yukawa setting multiple times. But how he knows
particular
setting of kappa and cutoff is for 1 1 interaction or 1 2 interaction or 2 2
interaction.
have you read the documentation yet? obviously not careful enough. it
is explained there how you index these cases.
axel.