Calculation method for shallow nanoindentation elasticity modulus based on molecular dynamics simulation

Abstract

The invention discloses a calculation method for shallow nanoindentation elasticity modulus based on molecular dynamics simulation. The calculation method comprises the following steps that: establishing a shallow nanoindentation molecular dynamics simulation model, determining the parameter of molecular dynamics simulation calculation, vertically downwards pressing a pressure head module into a workpiece module, and adopting a molecular dynamics simulation method to obtain the acting force-displacement data of a Newton layer through calculation; and drawing the acting force-displacement data into an atlas to obtain an acting force-displacement curve, distinguishing a curve elastic deformation area and a plastic deformation area according to the acting force-displacement curve, and carrying out calculation to obtain the elasticity modulus of the workpiece module according to a Hertz theory and the force-displacement data of the curve elastic deformation area. By use of the calculation method disclosed by the invention, experiment cost can be greatly lowered, experiment stability is guaranteed, an indentation process is dynamically displayed, and the calculation method has a guidance meaning for nanoscale measurement processing.

Description

technical field [0001] The invention belongs to the technical field of precision measurement of nanoscale materials, and in particular relates to a method for calculating elastic modulus of shallow nano-indentation based on molecular dynamics simulation. Background technique [0002] Some thin film materials with special morphology and functional structure are playing an increasingly important role in emerging fields such as aerospace, microelectronic devices, sensors, optoelectronics, magnetoelectronics, and new energy materials. The basic research on thin film materials has broken the discipline It has become a hotspot of interdisciplinary research, and the study of its mechanical properties is the premise and basis for the application research of thin film materials. Nano-indentation technology is also called depth-sensitive indentation technology. It controls the continuous change of load by computer and monitors the indentation depth in real time. Since the ultra-low lo...

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Problems solved by technology

However, there are many difficulties in the instrument experiment method. The specific performance is: the price of nano-indentation instrument (about 3 million yuan) is expensive, and many laboratories cannot afford it; factors such as the test environment and material structure make the repeatability of the experimental results poor; the ideal test sample The preparation is difficult; the deformation process of the sample cannot be dynamically observed in the experiment

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