Atomistic nano-scale 3D simulations about effects of Cr percentage on the molecular dynamics parameters of Fe-9-12% Cr alloys at fusion reactor temperature conditions
KERNTECHNIK, cilt.79, sa.5, ss.425-429, 2014 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 79 Sayı: 5
- Basım Tarihi: 2014
- Doi Numarası: 10.3139/124.110429
- Dergi Adı: KERNTECHNIK
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.425-429
- Atatürk Üniversitesi Adresli: Evet
Özet
9-12% Cr ferritic steel structures at atomic scale were modeled by LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) Molecular Dynamics package with high accuracy. Embedded-Atom Model (EAM) potential parameters were applied for Fe-Fe, Fe-Cr and Cr-Cr atomic interactions. Nuclear reactor temperature conditions were used in the simulations. Heat flux, kinetic energy, potential energy, total energy, pressures, and atomic displacements of Fe-Cr steels including 9%, 10%, 11%, and 12% Cr were given.