MSE Special Seminar: Phase-field Simulations: A Tale of Two Materials

Wednesday, February 26, 2020
12:00 p.m.-1:00 p.m.
1107/1111 KEB - Kay Boardroom
Ichiro Takeuchi

Speaker: Zijian Hong, Postdoc Research Associate, Mechanical Engineering, Carnegie Mellon University

Title: Phase-field Simulations: A Tale of Two Materials


The recent development in computational materials science has enabled “Materials-by-Design”. In particular, the phase-field method has emerged as a powerful mesoscale simulation tool for the understanding, designing and predicting of phase transitions, phase transformations, and microstructure evolutions. It is a mathematical tool that quantifies the different phases with continuous field variables. While the dynamic evolution of the phases is defined in terms of the free energy with respect to the field variables, and can be coupled to actual physical properties of the materials.

In this presentation, Dr. Hong will discuss the applications of the mesoscale phase-field method to understanding and designing topological polar states in oxide heterostructures, as well as understanding the dendrite growth mechanism in lithium metal anodes. As an example, phase-field simulations are employed to predict various ferroelectric topological structures such as polar vortex, polar skyrmion, etc. in a ferroelectric/paraelectric oxide superlattice system (e.g. in a PbTiO3/SrTiO3 superlattice). The properties of these topological states and the associated topological phase transitions will also be discussed. In another example, a nonlinear phase-field model is built to investigate the underline physics of the dendrite growth kinetics in lithium-ion battery with a high capacity metal anode. The influence of thermal self-heating on the stability of the metal electrodeposition process will be further illustrated. 

Audience: Campus 

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