Optimization of Monolayer MoS2 with Prescribed Mechanical Properties

Materials

卷:15

Wacław Kuś¹  Tadeusz Burczyński²  Mohammed Javeed Akhter² 

[1] Department of Computational Mechanics and Engineering, Silesian University of Technology, 44-100 Gliwice, Poland;

[2] Institute of Fundamental Technological Research, Polish Academy of Sciences, 02-106 Warsaw, Poland;

关键词: optimization;    MoS₂;    nanostructure;    mechanical properties;   

DOI  :  10.3390/ma15082812

来源: DOAJ

【 摘 要 】

Various technological challenges are essentially material problems in our times. New functional and functional graded nanomaterials are constructed of components with predefined properties. The design of nanostructures with predefined mechanical properties was considered in this paper. This study applies the evolutionary algorithm (EA) to the optimization problem in the design of nanomaterials. The optimal design combined EA with molecular dynamics to identify the size of the void for the prescribed elastic properties in monolayer 2D MoS₂ nanostructures. The numerical results show that the proposed EA and the use of optimization method allowed accurately obtaining nanostructures with predefined mechanical material properties by introducing elliptical voids in the 2D MoS₂ nanosheets.

【 授权许可】

Unknown