Dear all, I want to simulate a MWCNT bundle in which the central MWCNT is pulled out of the bundle. How to define the stress/strain curve of such system? I am building my system with scikit-nano and using LAMMPS with Airebo-M force field for simulation. create the geometry file: from sknano.generators import MWNTBundleGenerator from ase.io import read, write from ase.visualiz…

Dear lammps users Hi, Fe_force is one of the output parameters in elastic physic of AtC. So what’s this parameter? i want to find stress in finite element region. So how can i do it? 1 post - 1 participant Read full topic

Hello Everyone, I have been trying to run a GCMC simulation for adsorption of N2 in MOF-5, but no matter how long I run the simulation gcmc insertion success is always zero (Which is obviously wrong). I have tried changing N, X, M parameters in the fix gcmc command but no avail. Can someone please help me with this? The exact same simulation works well with RASPA but it is very sl…

Hi, I am trying to install lammps in python and run KMC simulations via python. I have a problem that I cannot find the liblammps.so file in src directory to run the ‘install.py’ file in Python Directory or command “make install-python”. Any suggestions? Best, WJ 1 post - 1 participant Read full topic