비정질 합금의 중주기 배열구조 및 이 구조가 소성에 미치는 역할: 분자동력학적 연구

이창면, 이미림, 이광렬, 강경한, 이병주, 이재철
 

The local structural states of amorphous alloys have been depicted previously via short-range orders (SROs). However, the concept of SROs alone is inadequate and sometimes insufficient to explain the structure-property relation of the amorphous alloys. In this study, we propose new types of medium-range building structures that affect the mechanical properties, plasticity in particular. Using a combination of molecular dynamics simulation and the Voronoi tessellation method, we demonstrate a three-dimensional configuration of icosahedral medium-range orders (I-MROs) and elucidate how these icosahedral orders evolve by the application of shear deformation. It was observed that the structural stability of the icosahedral orders relies largely on how they are linked via percolation and this linking is explained in detail.