Hello,
I have 2 Blocks, which I want to make it them collide. My advisor has suggested me after modelling the 2 blocks to do a minimization phase with everything in nvt , an equilibration with nve, a setforce layer and nvt layer. The simulation successfully completes the minimization phase, but when starting the equilibrium phase, it loses atoms. Can anybody help me ?
thank u
4H-SiCvsD_C.txt (10.5 KB)
Most likely some atoms are leaving the box. To check for that, you can change the boundaries from p p f to p p m and monitor the volume. If the volume increases, then my hunch is correct.
Then you can visualize the trajectory dump to visualize what is happening.
What to do further depends strongly on the details for your intended model and the research you are doing, so that would be something to discuss with people that have a vested interest in your research like your adviser, your tutor, or your colleagues.
Thank u so much again !
i have used displaceatoms and increased the simulation box so now is not losing atoms anymore but my second problem is that lammps is going through all the phase, minimizing, equilibrium and colision, producing more than 1000 frames, but the files, for me to copy and paste in ovito, are not appearing in the folder. I changed the folder before i finished the simulation. I do not know, if it has anything to do with- Some file appears like dump.move 1000, dump.move 2000 but not dompp.move 1010 for example
4H-SiCvsD_C.txt (11.0 KB)
Since I am not looking over your shoulder while you are running your simulation, I cannot really comment on this.
This situation simply comes down to the following: either LAMMPS behaves as the documentation says or it doesn’t. In the second case, you need to provide a minimal input deck (ideally based off of one of the examples in the example folders) that reproduces the erroneous behavior. We can then have a look. Case one means that there is a problem on your side and something that you have to work out on your own.