Nanometer material plasticity modulus calculating method based on molecular dynamics simulation

Abstract

The invention discloses a nanometer material plasticity modulus calculating method based on molecular dynamics simulation.The method comprises the following steps that a nanowire molecular dynamics simulation model is built; simulation parameters are set; stress-strain data of a nanometer material is calculated by adopting a molecular dynamics simulation method and output; a stress-strain curve is drawn through the stress-strain data; a first peak point and a first lower yield point on the stress-strain curve are found; a plasticity modulus value is solved according to the definition of the plasticity modulus.According to the method, the plasticity modulus at the nanoscale is solved through the molecular dynamics simulation method, therefore, not only is the calculating cost lowered, but also the calculating precision is improved, and meanwhile the calculating efficiency is improved compared with a physical experiment method.

Description

technical field [0001] The invention relates to the field of design and manufacture of nanometer devices, in particular to a method for calculating plastic modulus of nanomaterials based on molecular dynamics simulation. Background technique [0002] Nanomaterials are widely used in the design and manufacture of nanodevices, such as logic gates, wires in quantum devices, and force feedback sensors. As materials for manufacturing micro / nano devices in micro-nano electromechanical systems, nanomaterials have surface effects and size effects that make them exhibit mechanical properties that are completely different from macroscopic materials, such as plastic modulus. The plastic modulus at the nanometer scale exhibits properties opposite to those of the macroscopic elastic modulus, and has important application prospects in the design and manufacture of nanoforce feedback sensors. Therefore, it is imperative to analyze and study the plastic modulus of nanomaterials. [0003] ...

AI Technical Summary

Problems solved by technology

However, it is often difficult or even difficult to conduct mechanical property experiments on nanomaterials and devices directly using scanning electron microscopes and other equipment.

The reasons are as follows: 1. It is necessary to manufacture tiny specimens suitable for tensile experiments and clamping; 2. It is necessary to measure devices with high precision; 3. It is necessary to manufacture test benches suitable for tensile experiments; 4. Long R&D cycle and repeatability of experimental data; 5. High test costs

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