Molecular Dynamics Simulation of Al2O3-SiC Interface

Ting Ting Zhou; Chuan Zhen Huang; Han Lian Liu; Bin Zou; Hong Tao Zhu

doi:10.4028/www.scientific.net/MSF.697-698.192

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HomeMaterials Science ForumMaterials Science Forum Vols. 697-698Molecular Dynamics Simulation of Al2O3-SiC...

Molecular Dynamics Simulation of Al₂O₃-SiC Interface

Abstract:

The interfacial energy and diffusion phenomenon of the Al₂O₃(012)-SiC (011) interface model are studied based on molecular dynamics. The interfacial energy increases firstly until reaches its maximum 0.459J/m² at the temperature of 1500K and then decreases. The relationship of diffusion coefficients for each kind of atoms is C>Si>O>Al. Diffusion coefficients of atoms increase at first and then decrease as the temperature goes up. This indicates the diffusion mechanism has been changed during the temperature rising process.

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Materials Science Forum (Volumes 697-698)

Pages:

192-197

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.697-698.192

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Online since:

September 2011

Authors:

Ting Ting Zhou, Chuan Zhen Huang, Han Lian Liu, Bin Zou, Hong Tao Zhu

Keywords:

Diffusion Coefficient, Interface Model, Interfacial Energy, Molecular Dynamic (MD)

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