Shape-Determined Kinetic Pathways in 2D Solid-Solid Phase Transitions.

ABSTRACT: Solid-solid phase transitions are ubiquitous in nature, but the kinetic pathway of anisotropic particle systems remains elusive, where the coupling between translational and rotational motions plays a critical role in various kinetic processes. Here this problem is investigated by molecular dynamics simulation for 2D ball-stick polygon systems, where pentagon, hexagon, and octagon systems all undergo an isostructural solid-solid phase transition. During heating, the translational motion exhibits merely a homogeneous expansion, whereas the time evolution of body-orientation is shape-determined. The local defects of body-orientation self-organize into a vague stripe for pentagon, a random pattern for hexagon, while a distinct stripe for octagon. The underlying kinetic pathway of octagon adhe

SUBMITTER: Zhu R 

PROVIDER: S-EPMC12822416 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature