Dear all users,

I try to use lammps_spparks to simulate the grain growth, but I can not find the related example in the real world. The web mentions that " coupling of LAMMPS and SPPARKS, to couple a kinetic Monte Carlo model for grain growth using MD to calculate strain induced across grain boundaries",but I can not find the knowledge of material to prove that the force created by the interatomic potential function of lammps impact grain growth of spparks.

Please help me if you have the related paper．

This is a LAMMPS software package related mail-list and not an educational advice service I am afraid.

With best wishes,

Anna

That is just a simple demonstration problem to show

that you can couple LAMMPS to another code, the kMC

code SPPARKS in this case. To do a real problem,

you would have to worry more about the physics

of grain growtth and what values to exchange between

the 2 codes. But the software coupling mechanism would remain

the same. And a stress field does indeed induce

changes in grain growth.

Steve

Thank you for your explanation. Now I understand the reason of producing strain, but don not know how the strain influence grain growth. And I notice that in“potts/strain” module its probability is 1/(1+strain) when dE <= 0 and exp(-dE/kT*) when dE > 0, but it is different with the MC grain growth algorithm. Its probability is 1 when dE <= 0 and exp(-dQ/RT) when dE > 0( B. RADHAKRISHNAN and T. ZACHARIA: Simulation of Curvature-Driven Grain Growth by Using a Modified Monte Carlo Algorithm). For example, in the algorithm, when dE <= 0，it will transformation successfully, but it may be failed in “potts/strain” module. So for “potts/strain” could you give me some suggestion?

Please help me if you have the answer．

You’re asking good Qs, but the answers are up to you.

Again, the provided example is meant to be a simple

demo of how to couple 2 codes, one of them being LAMMPS.

It is not meant to be an accurate model of strain-induced

grain growth. If you want an accurate model, then build

on and extend the provided example. That’s a job for you,

not for the LAMMPS mail list.

Steve