Computational techniques for irradiated material science; MD simulations using LAMMPS

Suzudo, Tomoaki

no journal, , 

Because of advance in computer technology, application of high performance computing, such as the first principles calculations and molecular dynamics (MD) to material modeling attracts significant attention. LAMMPS is an open-source software for MD simulations and is widely used not only by material scientists but also by many atomistic modeling scientists. This talk is an introduction to the LAMMPS code specially for nuclear material scientists. The contents include basic knowledge of the code and the applications to the modeling of hardening due to radiation.