[2M15-21] Large Scale Simulation

[2M18] Idiosyncratic behavior of interstitial cluster in graphite

*Mitsuhiro Itakura¹, Keita Kobayashi¹ (1. JAEA)

Keywords:DFT calculation, graphite

Diffusion behavior of interstitial atoms and interstitial cluster in graphite is evaluated using DFT calculations. We show that clusters diffuse faster than single interstitial atoms.