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"ORISE" supercomputer facilitates to explore the new fabrication strategies of the low-dimensional nanomaterials

Date: Jul 09, 2024

  Due to the unique optical, electrical, magnetic and mechanical properties, low-dimensional nanostructured materials have broad application prospects in the preparation of nanodevices. In recent years, the High Performance Computing Department (HPC) of our Centre has provided continuous technical support to the team of Prof.Zhong-Yuan Lu/You-Liang Zhu from Jilin University. By porting and optimizing users’ homemade molecular dynamics simulation software, PYGAMD/GALAMOST to the “ORISE” supercomputing system, we supported their research on the formation process of oligomers with different structures and morphologies, which explored the regulatory factors and formation mechanism of low-dimensional structures to both clarify the concentration-dependent physical nature of nanostructure formation and provide guidance for rationally designing nanomaterials of high quality.

  The research results have been published online in the authoritative journal of polymer and chemistry, Macromolecules, while the research was supported by the National Key R&D Program of China and the National Natural Science Foundation of China. The High Performance Computing Department assisted the researchers on using the supercomputing resources from the China Scientific Computing Grid (ScGrid) of the Chinese Academy of Sciences and obtained acknowledgments from the users.

 

  

  Formation Controlled by Tuning the Diffusion and Concentration of Monomers

  X. K. Yu, R. Shi, L.L. Zhang, H.Y. Zhao, Y.L. Zhu, and Z.Y. Lu, Kinetics of On-Surface Oligomer Formation Controlled by Concentration, Macromolecules, DOI: 10.1021/acs.macromol.3c02153

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