Electron-phonon dynamics for LAMMPS
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
4.Brief Description: This is a LAMMPS extension (LAMMPS "fix") to capture electron-ion interaction. We use this extension mechanism to generalize the two temperature model to include electron-phonon coupling. The extension is flexible enough to represent cascades, laser heating and equilibration and study energy transport with realistic electron-phonon coupling.
- Short Name / Acronym:
- USER-EPH
- Site Accession Number:
- LLNL-CODE-750832
- Software Type:
- Scientific
- License(s):
- GNU General Public License v3.0
- Research Organization:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)Primary Award/Contract Number:AC52-07NA27344
- DOE Contract Number:
- AC52-07NA27344
- Code ID:
- 21934
- OSTI ID:
- code-21934
- Country of Origin:
- United States
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