| Abstract Scope |
Nucleation, which is the re-arrangement of a small number of atom of a material leading to a new phase, remains among the most complex and least understood phenomena in materials science. Due to their atomic and dynamic nature, nucleation processes are difficult to be experimentally investigated. In this work, we apply molecular dynamics simulations to analyze the atomic mechanisms and thermodynamics of both homogeneous and heterogeneous nucleation of BCC phase in FCC iron. The outcomes of this research demonstrate the potential of nonclassical nucleation mechanisms in metals.
[1] Xiaoqin Ou. Molecular dynamics simulations of martensitic transformation in iron. Delft University of Technology, 2017 (PhD thesis).
[2] Xiaoqin Ou, Jilt Sietsma, Maria J. Santofimia. Fundamental study of nonclassical nucleation mechanisms in iron. Acta Materialia, 226: 117655(2022).
[3] Xiaoqin Ou, Jilt Sietsma, Maria J. Santofimia. Fundamental study of nonclassical nucleation mechanisms in iron: heterogeneous nucleation at grain-boundary dislocations. Submitted work. |