A method for determining the collision recovery coefficient of nanosphere particles based on molecular dynamics

By simulating the collision recovery coefficient of nano-spherical Al2O3 particles through molecular dynamics, the problem of insufficient measurement accuracy of traditional methods under extreme working conditions is solved, high precision and wide applicability are achieved, and operation is simplified.

CN118969119BActive Publication Date: 2025-09-19SOUTHEAST UNIV
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Patent Information

Application Number
CN202411053469.1
Authority / Receiving Office
CN · China
Patent Type
Patents(China)
Current Assignee / Owner
Filing Date
2024-08-02
Publication Date
2025-09-19
Estimated Expiration
2044-08-02

AI Technical Summary

Technical Problem

Traditional methods make it difficult to accurately measure the collision recovery coefficient of nanoparticles under extreme working conditions, and are limited by the size and surface properties of nanoparticles, lacking simulation technology solutions from a microscopic perspective.

Method used

The molecular dynamics method is used to establish a nano-spherical Al2O3 particle model, set initial parameters and potential functions, perform molecular dynamics simulation, and calculate the collision recovery coefficient, which is suitable for high temperature and high pressure environments.

Benefits of technology

It achieves accurate simulation of nanoparticle collisions under extreme working conditions, improves measurement accuracy and applicability, and simplifies the operating process.

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Abstract

The present invention relates to a method for measuring the coefficient of restitution of nano-sphere particle collision based on molecular dynamics, comprising: establishing two nano-sphere Al2O3 particle models using OVITO software; placing a nitrogen molecule model, an oxygen molecule model, and the two particle models in a simulation box to form a simulation object system, and importing the LAMMPS software; using comb3 and lj / cut mixed potential; setting simulation parameters, performing molecular dynamics simulation, obtaining parameter data during the movement of the particle model, and observing the deformation of the particle model during the collision process; post-processing the parameter data to obtain a force-displacement curve of the particle model, judging the collision occurrence and end time of the particle model, and determining the collision velocity of the particle model and the separation velocity during rebound, and calculating the collision coefficient of restitution of the particle model based on the velocity changes before and after the collision. The present invention overcomes the limitations of traditional methods and improves measurement accuracy.
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