[S1] S1 New Materials Science on Nanoscale Structures and Functions at Crystal Interface II

3:20 PM - 3:35 PM JST(6:20 AM - 6:35 AM UTC)

[S1.23] Structural-Unit Model as a One-Dimensional Ising Model for in Tilt Grain Boundaries

○Kazutoshi Inoue¹, Shun Kondo¹, Yuichi Ikuhara^1,2,3 (1. Tohoku University, 2. UTokyo, 3. JFCC)

Keywords:

tilt grain boundaries,structural-unit model,Ising model,grain-boundary energy

We reformulated the structural-unit model for tilt grain boundaries as a one-dimensional Ising model. The stable configuration of structural units can be interpreted as the ground state of an Ising-type Hamiltonian, which provides an energetic basis for selecting structural-unit arrangements.