Abstract

Macroscopic properties of polycrystalline materials strongly depend on defects in their crystalline structures. Especially, properties of grain boundaries (GBs) should result from nearby nano-scale space, leading to the questions of what type of atomic polyhedra pack the GB region. We analyzed 3D atomic structures of symmetrical tilt GBs in face-centered cubic (fcc) crystals. It is concluded that the GB region can be packed by bulk or GB-type polyhedral units with minor variations. Moreover, the GB hierarchy directly follow the distribution of rational numbers that is represented by the modified Farey diagram [1].

Dr Inoue is affiliated with WPI -AIMR, Tohoku University and JST -PRESTO, Japan. This work was carried out in collaboration with Kazuaki Kawahara and Mitsuhiro Saito [School of Engineering, University of Tokyo], Motoko Kotani [WPI-AIMR], and Yuichi Ikuhara [WPI-AIMR, University of Tokyo, Japan Fine Ceramics Center].

References:

[1] Inoue, K; Kawahara, K; Saito, M; Kotani, M; Ikuhara, Y: “3D arrangement of atomic polyhedra in tilt grain boundaries”, under review (2020).

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Workshop website: https://www.mtg.msm.cam.ac.uk/events/msm-aimr-joint-online-workshop-2020