Large Scale Simulation of Microstructure Coarsening

Katsuyo Thornton

L.H. and F.E. Van Vlack Professor

2022 HH Dow

T: (734) 615-1498





Microstructures play a crucial role in material properties. Microstructural evolution in high temperature alloy during operation is governed by the minimization of the combination of elastic and interfacial energy, mediated by diffusion. Our group (in collaboration with Northwestern University, Illinois Institute of Technology. and University of California, Irvine) utilizes a sharp interface model of phase transition to simulate evolution of precipitate morphologies and arrangements. The governing equations are solved by using the boundary integral method in 2D or the boundary element collocation method in 3D, which only requires meshing on the interfaces (not the bulk) to achieve a very high resolution and accuracy. We adopt state-of-the-art numerical methods such as the fast multipole methods and adaptive mesh to increase the computational efficiency of simulations. Furthermore, we are also examining sharp interface models on simulating vicinal step dynamics. Steps exist and induce elastic fields on crystal surface. The interstep elastic interaction will affect adatom diffusions and step motions.