Idiosyncratic behavior of interstitial cluster in graphite

Mitsuhiro Itakura

Presentation information

Oral presentation

III. Fission Energy Engineering » 305-1 Computational Science and Engineering

[2M15-21] Large Scale Simulation

Wed. Mar 27, 2024 4:10 PM - 6:00 PM Room M (21Bildg.4F 21-424)

Chair:Kenta Inagaki(CRIEPI)

4:55 PM - 5:10 PM

[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.

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