On the incorporation of cubic and hexagonal interfacial energy anisotropy in phase field models using higher order tensor terms

Abstract

In this paper, we show how to incorporate cubic and hexagonal anisotropies in interfacial energies in phase field models; this incorporation is achieved by including up to sixth rank tensor terms in the free energy expansion, assuming that the free energy is only a function of coarse-grained composition, its gradient, curvature and aberration. We derive the number of non-zero and independent components of these tensors. Further, by demanding that the resultant interfacial energy is positive definite for inclusion of each of the tensor terms individually, we identify the constraints imposed on the independent components of these tensors. The existing results in the invariant group theory literature can be used to simplify the process of construction of some (but not all) of the higher order tensors. Finally, we derive the relevant phase field evolution equations and describe some preliminary results from our 1D simulations.

Keywords:

• phase field modelling
• interfacial energy anisotropy
• cubic anisotropy
• hexagonal anisotropy
• invariant theory

Acknowledgements

We thank T A Abinandanan and Arka Lahiri of Department of Materials Engineering, Indian Institute of Science, Bangalore, for useful discussions and IRCC, IIT-Bombay, for financial support through 09IRCC16.