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Modelling grain boundary formation in 2D materials by Olivier Pierre-Louis from University of Lyon 1

Joint seminar between ESRF/Chemistry Bridge and CEA/IRIG
Start Date
07-04-2022 14:00
End Date
07-04-2022 15:00
CEA room C5-421A and online
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Olivier Pierre-Louis from the University of Lyon 1

Abstract :

Grain boundaries in 2D materials result from the collision of two domain edges during growth. The roughness of these grain boundaries is therefore controlled by the growth process during the closing of the gap between two edges. We have developed a simple Kinetic Monte Carlo model and Langevin models that describe the statistical fluctuations and the instabilities at play during growth. These models predict that the edge roughness drops sharply during the collision. The grain boundary roughness can be decreased further when the grain boundary exhibits some relaxation after collision. The evolution of the roughness is found to be non-monotonic in time. In addition, fast growth with a high coverage could lead to smoother grain boundaries.

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ID de réunion : 883 1304 7867
Code secret : 32X7mB

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