Growth of MoS2 on a curved "Donut" shaped substrate

Atomistic simulation mimicing the growth of an MoS2 monolayer on a curved substrate, by sequential addition of rows of atoms to the "growing edge" and relaxation with Stillinger Weber potential. The atoms are colored by the level of biaxial strain with red indicating regions experiencing stretching, and blue indicating compression.

Read about the project at http://news.rice.edu/2019/06/03/microscopic-donuts-a-treat-for-quantum-tech-2/

For more details please see: K. Wang, A. A. Puretzky, Z. Hu, B. R. Srijanto, X. Li, N. Gupta, H. Yu, M. Tian, M. Mahjouri-Samani, X. Gao, A. Oyedele, C. M. Rouleau, G. Eres, B. I. Yakobson, M. Yoon, K. Xiao, D. B. Geohegan, Strain tolerance of two-dimensional crystal growth on curved
surfaces. Sci. Adv. 5, eaav4028 (2019).

Credit: Rice University.

Nanomaterial Modeler Tutorial 8 - Modeling Molybdenum Disulfide (MoS2)

In this tutorial, you can learn how to build surface model of molybdenum disulfide using Nanomaterial Modeler in the CHARMM-GUI. If you want more information, please visit "http://www.charmm-gui.org/input".

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