Tools and Codes Information

Modeling Tools Navigation

The Princeton Plasma Physics Laboratory (PPPL) relies on several simulation tools for the modeling of low-temperature plasma devices. For plasma simulations where the fluid approximation is valid, we utilize a modified version of the commercial ANSYS code. Where a kinetic treatment is required, such as in low-pressure discharges, we rely on several kinetic particle-in-cell codes. For modeling discharges, including atomic physics and plasma surface interactions, we have extensive experience with the 2D EDIPIC code and the 3D capable commercial code Large-Scale-Plasma (LSP), both of which have been extensively modified for these purposes. For studying kinetic plasma instabilities, we rely on the LBNL/LLNL 3D capable WARP codes, as well as the 3D BEST code.

For molecular dynamics simulations, we have experience with several open-source codes. For quantum chemistry, we utilize the Density Functional Theory (DFT) approximation via quantum ESPRESSO or VASP, as well as codes based on the DFT- Tight Binding approximation. Where classical molecular potentials can be applied, we use the LAMMPS molecular dynamics package. We also return to more general quantum chemistry software when the DFT approximation is insufficient, these include GAMESS and Gaussian. For longer time evolution on the atomic scale, a Kinetic Monte Carlo (KMC) algorithm can be used. We developed our own KMC code, for studying diffusion of adsorbed atoms along carbon nanotubes. For equilibrium chemical composition we rely on the standard Gibbs minimization approach using NIST data.

This capability is located at the Princeton Plasma Physics Laboratory.