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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

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Comprehensive Understanding of the Gas Sensing Properties of 2D Materials Using the Framework of Density Functional Theory
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Chemisorption of gadolinium ions on 2D-g-C3N4 for an efficient piezo-photocatalytic remediation of kanamycin sulfate
Corrosion behaviour of atomic layers of graphene on nickel surfaces exposed to aggressive microbial environments
Czochralski process for a rational design of Copper Crystals for Microbial Corrosion Applications
Dispersing two-dimensional Ti3C2Tx MXene nanosheets in Nonpolar Organic Solvents Within Minutes
Effect of Pore Alignment in the Mechanical Properties of 2D Material 3D Foam – Polymer Composites
Effect of Temperature and Acoustic Pressure During Ultrasound Liquid Phase Processing of Graphite in Water
Elastic Response and Strain Solitons Behavior of Molybdenum Ditelluride (MoTe2) Based 2D Van der Waals Heterostructure
Enhanced Emission at Telecommunication Wavelength from Silicon-Phosphorene Hybrid Device Doped with Erbium
Ferromagnetism in Q-carbon Balls as a Function of Their Size
High fidelity multi-physics numerical modelling of ultrasonic bubble dynamics and liquid exfoliation of 2D graphite
High Throughput Computational Investigation of Two Dimensional Ferroelectric Materials for Photocatalytic Applications
Immobilization of Glycine molecules on Graphene Oxide for Enhanced Piezoelectricity
Novel approach to produce thick CNT based Bucky paper for Radar Absorption and EMI Shielding Applications
Novel Approach to Wafer Scale Integration of Graphene and h-BN Related 2-D Materials
Preparation and Electro-sorption Performance of Lotus Petiole-Based Activated Carbon
Raman and Transport Characterization of Semiconducting and Superconducting Selenide-based Transition Metal Dichalcogenides
Rapid Exfoliation of Low-defectivity Graphene in Alkali Lignin Aqueous Media
Structural Phase Transition and Pseudoelastic Behavior in Strained Monolayer Molybdenum Ditelluride (MoTe2 )
Synthesis and Characterization of Laser-Induced Graphene for Gas Sensing Applications
Synthesis and characterization of MnCo2O4 /GQDs nano-composites for super capacitor electrodes
Well-defined 3D printing of titanium carbide (Ti3C2Tx) MXene nanosheets into complex and hierarchical microarchitectures with high aspect ratio

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