Materials Science and Engineering Commons^™

Atomistic Monte Carlo Simulation Study Of Phase Transitions In Metal Alloys, Xiaoxu Guo

Dissertations, Master's Theses and Master's Reports

The atomic-scale Monte Carlo simulation study focuses on the intrinsic behaviors of a defect-free crystal that undergoes a cubic-to-tetragonal martensitic transformation. The quasi-spin variable associated with the lattice sites characterizes the local unit cells of the orientation variants of the ground-state martensite phase, which interact with each other through long-range elastic interactions. It is shown that the diffuse scattering in the premartensitic austenite state results from the spatial correlation of the atomic-scale heterogeneous lattice displacements and manifests the displacement short-range ordering. The effects of temperature, elastic anisotropy, and shear modulus softening on the diffuse scattering and displacement short-range ordering are …