Coherent and semicoherent α/β interfaces in titanium: structure, thermodynamics, migration
Siqi Wang,
Tongqi Wen,
Jian Han
et al.
Abstract:The α/β interface is central to the microstructure and mechanical properties of titanium alloys. We investigate the structure, thermodynamics and migration of the coherent and semicoherent Ti α/β interfaces as a function of temperature and misfit strain via molecular dynamics (MD) simulations, thermodynamic integration and an accurate, DFT-trained Deep Potential. The structure of an equilibrium semicoherent interface consists of an array of steps, an array of misfit dislocations, and coherent terraces. Analysi… Show more
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