Dear lammps: I'm sorry to trouble you! Recently, we want to simulate the process of electron beam irradiate the nanomaterial.But some problems puzzled us.We sincerely hope you can give us some tips. The problems are as follow: 1.Can the LAMMPS be used to simulate this process? 2.If the LAMMPS can be used to do it, how to simulate electron? 3.Are there some examples or case published in the website of LAMMPS? We are looking forword for hearing from you and Iwishyou a HappyChristmas in advance! Thank you very much.
MD does not have electrons so LAMMPS cannot “directly” simulate what you described. However a widely used technique in the Literature, which is called the primary knock on atom method (PKA), can be used to simulate the process and can be realized using LAMMPS. I suggest you look it up in the literature.