Simulations of the anisotropy effects of interface energies

Volker Mohles, ICAMS, Ruhr-University Bochum, Bochum, Germany

Grains and particles of secondary phases control numerous properties of metallic materials. For instance, the interaction between particles and grain boundaries affects recrystallisation during heat treatments of manufacturing in a very sensitive manner, which in turn control the material strength and formability. In general, the interface energy of particles and grain boundaries depends on their local orientation in relation to crystallographic planes. This anisotropy strongly affects the equilibrium shapes of particles and grains, hence it can influence the overall properties. In the present contribution, new mesoscopic front tracking simulations of grain boundaries and particle interfaces are presented in which the anisotropy of the interface energy is fully taken into account. With this, the interaction between grain boundaries and particles is evaluated in a quantitative manner. In addition, it is demonstrated how atomistic Molecular Dynamics simulations can be used to provide the required anisotropic interface energies. Together these simulations provide a multi-scale path toward an improved quantitative understanding of recrystallization kinetics, which, for instance, can help improving manufacturing processes of aluminium sheet.

« back