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Meeting 2022 TMS Annual Meeting & Exhibition
Symposium 2D Materials – Preparation, Properties & Applications
Presentation Title High Fidelity Multi-physics Numerical Modelling of Ultrasonic Bubble Dynamics and Liquid Exfoliation of 2D Graphite
Author(s) Ling Qin, Barbara M Maciejewska, Kyriakos Porfyrakis, Iakovos Tzanakis, Nicole Grobert, Dmitry G Eskin, Jiawei Mi
On-Site Speaker (Planned) Ling Qin
Abstract Scope Ultrasound liquid-phase exfoliation (ULPE) is the principal method for manufacturing two-dimensional (2D) materials in large quantities with a good balance between improved materials quality and reduced cost. Previous studies have demonstrated the acoustic pressure and cavitation bubbe implosion induced shock wave are the dominant parameters that affect the nanolayer exfoliation of graphite. Numerical modellings on the cavitation bubbles dynamics and their interaction with 2D materials have been also developed to understand the complex multi-timescale and multiphysics phenomena. However, due to the difficulty and challenges in obtaining real-time data for model validation, there are often a lot of assumptions in those previous numerical models which often cause inaccurate calculation or prediction, especially in the phenomena related to bubble dynamics and implosion. Here, we present very recent research on predicting cavitation bubble dynamics and their effects on graphite exfoliation in liquid medium at the sub-microsecond time resolution using multi-physics numerical modelling, which is validated by ultrafast synchrotron X-ray experiments (up to 271,554 fps). Such high fidelity numerical modelling could offer more quantitative insight into bubble oscillation, coalescence, and implosion, as well as their effects on the exfoliation behaviour at the sub-microsecond time resolution. The modelling is a powerful tool for revealing the underlying science of the ultrasonic exfoliation of 2D materials.
Proceedings Inclusion? Planned:
Keywords Modeling and Simulation, Nanotechnology, Computational Materials Science & Engineering


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