Nirand Pisutha-Arnond

Katsuyo Thornton

Professor

kthorn@umich.edu

2022 HH Dow

T: (734) 615-1498

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nirand@umich.edu
B.S.E Materials Science and Engineering, Northwestern

I am working on two aspects involving the phase-field crystal (PFC) model.  One aspect is the numerical method to improve the predictive capability of the model.  This improvement is achieved by using the rational function fit to better describe the two-body direct correlation function, which serves as an input to the model. The goal of this work is to use the improved PFC model to predict non-equilibrium behaviors of materials such as those under a finite strain rate.

The second aspect involves how to extract themodynamic properties of the system using the PFC method in a thermodynamically consistent manner.  We have found that the convectional method for extracting the elastic constants is not consistent with the method defined by a theory of thermoelasticity.  Therefore, we proposed an alternative procedure to extract the elastic constants that are consistent with the definition from the theomoelasticity theory.  This alternative method should be used to either predict the elastic constants or parametrize the model.  Currently, we are investigating on other thermodynamic quantities.

I also studied the energetics of misfit dislocations which is another important strain-relief mechanism during the heteroepitaxial growth of material systems with high lattice mismatches. The example of these systems are self-assembled iron film grown on molybdenum or tungsten, which can potentially be used in high density magnetic recording devices.