Graphene reinforced resin matrix composite mechanical property prediction method

Abstract

The application discloses a method for predicting mechanical properties of graphene reinforced resin matrix composite material, which comprises the following steps: generating a periodic structure of a single-layer graphene sheet in software, applying a force field, generating different wrinkle structures of the graphene sheet at different molecular dynamics temperatures, dividing a two-dimensional triangular grid according to the position of carbon atoms in the graphene sheet, embedding the graphene sheet into a three-dimensional ellipsoid, performing mechanical property calculation and homogenization analysis on the mechanical properties of the ellipsoid containing the graphene sheet by using a finite element analysis method, obtaining an effective stiffness matrix, and setting the ellipsoid containing the graphene sheet as uniformly distributed in a representative volume element, and calculating the mechanical properties of the macroscopic material by using a self-consistent model, wherein the application combines molecular dynamics and finite element methods and a self-adaptive analytical method, adopts a multi-scale numerical simulation method to predict and analyze the mechanical properties of the graphene composite material, and can effectively improve the accuracy of the mechanical properties of the graphene composite material.

Description

TECHNICAL FIELD

[0001] The present application relates to the technical field of mechanical property prediction of composite materials, in particular to a method for predicting the mechanical property of graphene reinforced resin matrix composite material. BACKGROUND

[0002] The mechanical property of the composite material can be effectively improved by filling the resin matrix with graphene.

[0003] The existing simulation and prediction of the mechanical property of the composite material are mainly based on the analytical methods of micro-mechanical model and continuous medium model. However, the above analytical methods cannot fully consider the influence of the wrinkle shape of graphene on the macro-mechanical property of the composite material, resulting in low accuracy of the mechanical property of the graphene composite material. SUMMARY

[0004] This section aims to summarize some aspects of the embodiments of the present application and briefly introduce some preferred embodiments. Some simplifications or omissions may be made in this section and the abstract and title of the specification to avoid obscuring the purpose of this section, abstract and title, and such simplifications or omissions cannot be used to limit the scope of the present application.

[0005] In view of the above and / or existing problems in the prediction of the mechanical property of graphene reinforced resin, the present application is proposed.

[0006] Therefore, the purpose of the present application is to provide a method for predicting the mechanical property of graphene reinforced resin matrix composite material, which combines molecular dynamics, finite element method and self-adaptive analytical method, and uses a multi-scale numerical simulation method to more accurately predict and simulate the mechanical property of graphene composite material.

[0007] To solve the above technical problems, according to one aspect of the present application, the present application provides the following technical scheme:

[0008] A method for predicting the mechanical property of graphene reinforced resin matrix composite material, comprising:

[0009] S1, generating a single-layer graphene sheet periodic structure in the Lammps software, applying a Dreiding force field, and generating different graphene sheet wrinkle structures at different molecular dynamics temperatures;

[0010] S2, dividing a two-dimensional triangular grid according to the position of the carbon atoms in the graphene sheet, embedding the graphene sheet into a three-dimensional ellipsoid, and using a finite element analysis method to calculate the mechanical property of the ellipsoid containing the graphene sheet and perform homogenization analysis to obtain an effective stiffness matrix;

[0011] S3, set the ellipsoid containing graphene sheet layer as uniformly distributed in the representative volume element, the self-consistent model is used to calculate the mechanical properties of macroscopic material.

[0012] As a preferred scheme of the method for predicting the mechanical properties of the graphene reinforced resin matrix composite material, the molecular dynamics temperature is 300K, 400K and 500K.

[0013] Compared with the prior art, the method has the beneficial effects that: the method combines molecular dynamics and finite element method and self-adaptive analysis method, adopts a multi-scale numerical simulation method to predict and analyze the mechanical properties of the graphene composite material, and can effectively improve the accuracy of the mechanical properties of the graphene composite material. BRIEF DESCRIPTION OF DRAWINGS

[0014] In order to more clearly illustrate the technical scheme of the embodiments of the present application, the present application will be described in detail below in combination with the drawings and detailed embodiments. Obviously, the drawings in the following description are only some embodiments of the present application, and other drawings can be obtained by those skilled in the art without creative labor. Among them:

[0015] Figure 1 The graphene wrinkle structure generated by the molecular dynamics method in the Lammps for the method for predicting the mechanical properties of the graphene reinforced resin matrix composite material of the present application;

[0016] Figure 2 The interface mechanical properties between the graphene and the aggregate for the method for predicting the mechanical properties of the graphene reinforced resin matrix composite material of the present application;

[0017] Figure 3 The homogenization schematic diagram of the ellipsoid containing graphene for the method for predicting the mechanical properties of the graphene reinforced resin matrix composite material of the present application;

[0018] Figure 4 The representative volume element containing uniformly dispersed ellipsoids for the method for predicting the mechanical properties of the graphene reinforced resin matrix composite material of the present application, wherein each ellipsoid is an equivalent structure schematic diagram containing graphene sheet layer. DETAILED DESCRIPTION

[0019] In order to make the above-mentioned purposes, features and advantages of the present application more obvious and easy to understand, the specific embodiments of the present application will be described in detail below in combination with the drawings.

[0020] Secondly, the application is described in detail in combination with the schematic diagram, in the detailed description of the embodiments of the application, for the convenience of description, the sectional view of the device structure will be partially enlarged without the general proportion, and the schematic diagram is only an example, which should not limit the scope of protection of the application here. In addition, the three-dimensional spatial dimensions of length, width and depth should be included in actual production.

[0021] In order to make the purpose, technical scheme and advantages of the application more clear, the embodiments of the application will be further described in detail below in combination with the drawings.

[0022] The application provides a graphene reinforced resin matrix composite mechanical property prediction method, which combines molecular dynamics and finite element method and self-adaptive analysis method, and adopts a multi-scale numerical simulation method to more accurately predict and simulate the mechanical properties of graphene composite materials.

[0023] The graphene reinforced resin matrix composite mechanical property prediction method has the following specific steps:

[0024] S1, generating a single-layer graphene sheet layer periodic structure in the Lammps software, applying a Dreiding force field, and generating different graphene sheet layer wrinkle structures as shown in Figure 1 at different molecular dynamics temperatures, wherein the molecular dynamics temperatures are 300K, 400K and 500K respectively;

[0025] The parameters of the above-mentioned Dreiding force field are shown in Table 1

[0026] The Dreiding potential values used in the system

[0027]

[0028] S2, dividing a two-dimensional triangular grid according to the position of the carbon atoms in the graphene sheet layer (as shown in Figure 1 ), and embedding the graphene sheet layer into a three-dimensional ellipsoid, using the finite element analysis method to calculate and homogenize the mechanical properties of the ellipsoid containing the graphene sheet layer, obtaining the effective stiffness matrix, considering the interface properties between the graphene and the matrix in the calculation process, and using Figure 2 The constitutive relation is used for representation, wherein the longitudinal axis is the force at the interface, and the transverse axis is the separation distance of the graphene and the matrix.

[0029] S3, setting the ellipsoid containing the graphene sheet layer to be uniformly distributed in a representative volume element, as shown in Figure 3 and Figure 4 The self-consistent model is used to calculate the mechanical properties of the macroscopic material.

[0030] The application combines molecular dynamics and finite element method and self-adaptive analytic method, adopts a multi-scale numerical simulation method to predict and analyze the mechanical properties of graphene composite material, and can effectively improve the mechanical property accuracy of the graphene composite material.

[0031] Although the present application has been described with reference to the embodiments above, various changes and modifications can be suggested to one skilled in the art, and it is intended that the present application encompass such changes and modifications as fall within the scope of the appended claims. Particularly, each feature disclosed in the description and / or the claims can be used in the combination with each other as long as there is no structural conflict or collision. Therefore, it is intended that the present application embrace all such changes and modifications in the scope of the appended claims.

Claims

1. A method for predicting the mechanical properties of graphene-reinforced resin-based composite materials, characterized in that: include: S1. Generate a periodic structure of a single-layer graphene sheet in Lammps software, apply a Dreiding force field, and generate different graphene sheet wrinkle structures at different molecular dynamics temperatures; S2. Divide a two-dimensional triangular grid according to the position of carbon atoms in the graphene sheet, and embed the graphene sheet into a three-dimensional ellipsoid. Use the finite element analysis method to calculate the mechanical properties and homogenize the mechanical properties of the ellipsoid containing the graphene sheet to obtain an effective stiffness matrix; S3. Assume that the ellipsoids containing the graphene sheets are uniformly distributed in the representative volume unit, and use the self-consistent model to calculate the mechanical properties of the macroscopic material.

2. The method for predicting mechanical properties of graphene-reinforced resin-based composite materials according to claim 1, wherein: The molecular dynamics temperatures are 300K, 400K and 500K.

Images