Molecular mechanical method for measuring elasticity modulus and Poisson ratio of monolayer molybdenum disulfide

Abstract

The invention belongs to the technical field of calculation of two-dimensional nano materials, and provides a molecular mechanical method for measuring the elasticity modulus and the Poisson's ratio of monolayer molybdenum disulfide. Related mechanical properties of monolayer molybdenum disulfide are determined through a molecular mechanical method, and the size effect of the material is given. According to the method, firstly, a molecular mechanics theoretical model of the monolayer molybdenum disulfide is established, a projection auxiliary structure model does not need to be established, and an analytical expression capable of representing the elasticity modulus and the Poisson's ratio of the monolayer molybdenum disulfide of any size is directly obtained. According to the method, the elasticity modulus and the Poisson ratio of the monolayer molybdenum disulfide can be effectively measured, high cost caused by experiments is avoided, and the result shows that the monolayer molybdenum disulfide is gradually transited from an anisotropic material to an isotropic material along with increase of the feature size. The method provides important theoretical reference for the application based on the monolayer molybdenum disulfide material.

Description

technical field [0001] The invention belongs to the technical field of computing two-dimensional nanometer materials, and relates to a method for measuring the elastic modulus and Poisson's ratio of a single-layer molybdenum disulfide based on a molecular mechanics method. Background technique [0002] Nanotechnology is a high-tech science and technology that has emerged rapidly in recent decades. As the name suggests, it is a science and technology that researches and develops materials on the nanometer scale. Its birth not only provides new technical support for people to better understand the material world, but also opens up new ways for the development of many fields. As the research object of nanotechnology, nanomaterials have shown a large number of novel and unique properties in many aspects such as mechanics, optics, electricity, chemistry and biomedicine because of their excellent characteristics different from macroscopic materials. Compared with traditional macr...

AI Technical Summary

Problems solved by technology

Although the relevant experimental equipment is constantly being updated, experiments at the nanoscale are always limited. On the one hand, the experimental operations at the small scale are often complicated and even difficult to implement.

Images