A composite material friction performance prediction method based on molecular dynamics

A molecular dynamics and composite material technology, applied in the field of composite friction performance prediction based on molecular dynamics, can solve the problems of low efficiency, high cost, inability to explore the loss mechanism of composite materials, etc., and achieve the effect of high efficiency and low cost

Pending Publication Date: 2019-03-29
CENT SOUTH UNIV
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Problems solved by technology

[0005] The main purpose of the present invention is to provide a method for predicting the friction performance of composite materials based on molecular dynamics, so as to solve the problem of high cost, low efficiency and inability to explore the friction performance of composite materials in the prior art. The problem of loss mechanism

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  • A composite material friction performance prediction method based on molecular dynamics
  • A composite material friction performance prediction method based on molecular dynamics
  • A composite material friction performance prediction method based on molecular dynamics

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Embodiment Construction

[0037] In order to facilitate the understanding of the present invention, the present invention will be described more fully and in detail below in conjunction with the accompanying drawings and preferred embodiments, but the protection scope of the present invention is not limited to the following specific embodiments. It should be noted that, in the case of no conflict, the embodiments of the present invention and the features in the embodiments can be combined with each other.

[0038] A method for predicting the friction performance of phosphorene / polyethylene composite materials based on molecular dynamics according to an embodiment of the present invention, the flow chart of which is as follows figure 1 As shown, the forecasting method includes the following steps:

[0039] Step S101: Constructing the molecular model of phosphorene / polyethylene composite material

[0040]The unit phosphorene model is constructed using Material Studio software, and its geometric paramete...

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Abstract

The invention discloses a composite material friction performance prediction method based on molecular dynamics, which comprises the following steps: establishing a molecular model of the material byusing Material Studio software; The composites were used as the intermediate layer, iron nanorods and iron substrates were added up and down respectively, the shear simulation molecular model was constructed, and the periodic boundary conditions were applied. Obtaining force field parameters of the model; Geometric optimization, annealing relaxation and shear simulation were carried out by using force field parameters, and the atomic motion trajectory was recorded during the shear simulation. According to the atomic motion trajectory, based on the secondary development of Material Studio software, the average tangential force and the average normal force of the composite material in the sliding process are calculated, and the friction coefficient and wear rate are calculated. This prediction method has low cost and high efficiency. It can explore the wear mechanism of composites in the friction process and provide theoretical guidance for the preparation and practical application of composites.

Description

technical field [0001] The invention relates to the technical field of computer molecular simulation, in particular to a method for predicting the friction performance of composite materials based on molecular dynamics. Background technique [0002] At present, the methods for studying the friction properties of composite materials mainly include experimental testing methods and finite element simulation methods. [0003] Among them, the specific steps of the test method are: preparing composite material specimens through relevant instruments and equipment, and after preparing the composite materials, further surface treatment, such as: polishing, grinding, etc., is required to eliminate impurities on the surface of the specimens. Effects on the friction properties of composite materials. Then place the test piece on the friction testing machine to generate relative motion. The friction testing machine can be roughly divided into three types: disc-disk, disc-plane and plane...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F17/50G16C10/00
CPCG06F2119/06G06F30/20
Inventor 彭勇李佳豪张洪浩许平姚曙光范超杰
Owner CENT SOUTH UNIV
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