[S3] S3 Materials DX for the research and development of structural materials for extreme environment(IV)

4:00 PM - 4:25 PM JST(7:00 AM - 7:25 AM UTC)

[S3.16] Triple and high-order junctions as diffusion pathways and nanovoid-nucleation sites in nanocrystalline grain-boundary networks: A molecular dynamics study

○Heting Liao¹, Masato Wakeda¹, Akinobu Shibata¹, Takahito Ohmura^1,2 (1. NIMS, 2. Kyushu Univ.)

Keywords:

Grain boundary,Grain boundary junction,Atomic diffusion,Nanovoid formation,Molecular dynamics

Molecular dynamics simulations reveal that triple and high-order junctions in 3D nanocrystalline grain-boundary networks serve as fast atomic-diffusion pathways and preferential sites for nanovoid formation, providing atomistic insight into topology-controlled mechanical properties.