[G] 計算材料科学・データ科学

[317] Structural analysis and interstitial site extraction in bcc Fe grain boundaries by persistent homology analysis

*鄭 伯豪¹、張 咏杰²、譯田 真人³、宮本 吾郎²、古原 忠² (1. 東北大工（学生）、2. 東北大金研、3. 物材機構)

キーワード：grain boundary structure、interstitial site identification、temperature dependency、persistent homology

We proposed a non-assumptive method to extract interstitial sites at GBs based on persistent homology analysis. This method can also show the changes of GB structure with temperature or GB coherency.