CN-121983196-A - Multi-scale modeling and simulation prediction method and device for two-phase composite material

CN121983196ACN 121983196 ACN121983196 ACN 121983196ACN-121983196-A

Abstract

The invention discloses a multi-scale modeling and simulation prediction method and device for a two-phase composite material, wherein the method comprises the following steps of S1, carrying out molecular dynamics simulation on a solution permeation process in the composite material based on molecular dynamics, extracting microscopic information in the simulation process to obtain a microstructure model of the composite material, S2, mapping the microstructure model to a finite element grid, reserving structures among particles and interfaces to obtain the finite element model, S3, inserting a cohesive area unit at the interface of the finite element model, modeling interfacial adhesion phenomenon between a matrix and the particles of the composite material based on the cohesive area unit, and S4, carrying out simulation on the whole damage process based on the finite element model to realize simulation analysis and evolution prediction. According to the invention, modeling of the composite material is performed based on the real microstructure, and more accurate mechanical simulation analysis is performed based on the modeling.

Inventors

FENG YULIN
DONG BOWEN
LUO RUIPING
WANG KELEI
YANG QING

Assignees

湖北师范大学

Dates

Publication Date: 20260505
Application Date: 20260115

Claims (10)

1. The multi-scale modeling and simulation prediction method for the two-phase composite material is characterized by comprising the following steps of: step S1, carrying out molecular dynamics simulation on a solution permeation process in a composite material based on molecular dynamics, and extracting microscopic information in the simulation process to obtain a microstructure model of the composite material; s2, mapping the microstructure model to a finite element grid, reserving the structures among particles and interfaces to obtain a finite element model, discretizing the finite element model, and refining the local grid; S3, inserting a cohesive area unit into the interface of the finite element model, modeling the interfacial adhesion phenomenon between the matrix and the particles of the composite material based on the cohesive area unit, describing the cohesive behavior by adopting a bilinear traction separation law, and completing the simulation of the crack initiation and propagation process at the interface; and S4, performing simulation of the whole damage evolution process based on the finite element model to realize mechanical simulation analysis and prediction.
2. The method for multi-scale modeling and simulation prediction of a two-phase composite material according to claim 1, wherein the step S1 is specifically: Setting initial model parameters based on the initial microstructure state of the composite material, wherein the initial model parameters comprise atom types, atom numbers and position distribution, and constructing an initial model of the composite material based on the initial model parameters; Setting temperature, pressure and boundary condition parameters of the simulation of the solution permeation process, setting the time step and the total simulation time of the simulation, and performing molecular dynamics simulation based on the initial model in a set simulation environment; And after the simulation is finished, extracting microscopic information of atoms in the solution permeation process, and analyzing a solution permeation path, a solution permeation speed and microstructure evolution characteristics based on the microscopic information so as to obtain a microstructure model of the composite material.
3. The method for multi-scale modeling and simulation prediction of a two-phase composite material according to claim 1, wherein in the step S2, the microstructure model is mapped to a finite element mesh, and the structures between particles and interfaces are preserved, so as to obtain a finite element model, which is specifically: The microstructure model is converted to a finite element grid through a mapping algorithm, microscopic information of the microstructure is converted to nodes and units of the finite element grid, a finite element model matched with the microstructure model is obtained, particle shapes, particle sizes, particle distribution, interface roughness and interface curvature characteristics are reserved in the mapping process, and the finite element model is checked and corrected.
4. The multi-scale modeling and simulation prediction method of a two-phase composite material according to claim 1, wherein in the step S2, discretizing is performed on the finite element model, and local mesh refinement is performed, specifically: And discretizing the finite element model by adopting a four-node linear tetrahedron unit, and carrying out local grid refinement at the triple junction of the particle angle and the interface.
5. The method for multi-scale modeling and simulation prediction of a two-phase composite material according to claim 1, wherein the step S3 is specifically: The method comprises the steps of carrying out geometric analysis on an interface of the composite material, identifying the position, the shape and the connection mode of the interface as the geometric information of a cohesive area unit, setting related parameters of a bilinear traction separation law, setting boundary conditions and loading steps to simulate the interaction of a matrix and particles under different working conditions, and inserting the cohesive area unit into the interface based on the related parameters and the different working conditions to realize the simulation of interface behaviors.
6. The method for multi-scale modeling and simulation prediction of a two-phase composite material according to claim 1, wherein the step S4 is specifically: And simulating the whole damage evolution process in a simulation environment, wherein the whole damage evolution process comprises matrix plasticity, ductile fracture, particle cracks and interface layering, and further carrying out mechanical simulation analysis on the mechanical response and failure mechanism of the composite material.
7. The multi-scale modeling and simulation prediction method of two-phase composite material according to claim 6, wherein in the step S4, mechanical simulation analysis is performed on mechanical response and failure mechanism of the composite material, specifically: In the process of simulating damage evolution, monitoring the distribution of model stress and strain, analyzing the monitoring data to obtain the starting position, the development path and the final damage form of the damage, and judging whether the stress concentration area is consistent with the actual vulnerable part and whether the strain change accords with the damage evolution rule based on the analysis result.
8. The method for multi-scale modeling and simulation prediction of a two-phase composite material according to claim 1, wherein the step S4 further comprises: before simulation analysis, material parameters of a model are set according to physical properties of the composite material, so that a simulation result is ensured to reflect mechanical properties of the material, and when a load is applied, the load size and the loading rate are determined according to actual working conditions.
9. The method for multi-scale modeling and simulation prediction of a two-phase composite material according to claim 1, wherein the step S4 further comprises: and carrying out post-processing on the simulation result and visualizing the evolution process.
10. A multi-scale modeling and simulation prediction apparatus for a two-phase composite material, comprising a memory and a processor, wherein the memory has a computer program stored thereon, which when executed by the processor implements the multi-scale modeling and simulation prediction method for a two-phase composite material according to any one of claims 1-9.

Description

Multi-scale modeling and simulation prediction method and device for two-phase composite material Technical Field The invention relates to the technical field of cross-scale three-dimensional modeling of two-phase composite materials, in particular to a multi-scale modeling and simulation prediction method and device of a two-phase composite material. Background In dual phase metal composites, the mechanical behavior of the composite typically exhibits a significant transition from ductile to brittle fracture with a concomitant change in microstructure and composition as the brittle phase volume fraction increases. The fracture resistance, damage tolerance and overall structural reliability of the ductile brittle transition material have key significance, and bring great difficulty to the reliable application of industrial parts. However, accurate prediction of its initiation and evolution process remains a very challenging task, mainly due to the complex structure and interactions between phase morphology, interfacial bonding, and multi-scale deformation localization. At present, in the modeling of the two-phase metal composite structure and the prediction method of mechanical properties, an idealized microstructure structure is often relied on, and the idealized assumption is that although the problem is simplified to a certain extent, complicated microstructure non-uniformity existing in an actual material, such as particle size distribution, diversity of phase interface morphology, internal defects and the like, are ignored. These microstructure features have a crucial influence on the mechanical properties of the material, in particular the ductile brittle transition behavior. Traditional modeling and prediction methods have significant limitations in accurately capturing and predicting initiation and evolution processes. Therefore, a multi-scale three-dimensional modeling method which can give consideration to both microstructure details and macroscopic mechanical response and can effectively describe interface behaviors is developed, and has important significance for deeply understanding the ductile-brittle transition mechanism of the dual-phase metal composite material. Disclosure of Invention In view of the foregoing, it is necessary to provide a method and a device for multi-scale modeling and simulation prediction of a two-phase composite material, so as to effectively solve the technical problem that the modeling of the two-phase composite material does not accurately consider the complex microstructure thereof, thereby affecting the simulation analysis of mechanical properties. The invention provides a multi-scale modeling and simulation prediction method of a two-phase composite material, which comprises the following steps: step S1, carrying out molecular dynamics simulation on a solution permeation process in a composite material based on molecular dynamics, and extracting microscopic information in the simulation process to obtain a microstructure model of the composite material; s2, mapping the microstructure model to a finite element grid, reserving the structures among particles and interfaces to obtain a finite element model, discretizing the finite element model, and refining the local grid; S3, inserting a cohesive area unit into the interface of the finite element model, modeling the interfacial adhesion phenomenon between the matrix and the particles of the composite material based on the cohesive area unit, describing the cohesive behavior by adopting a bilinear traction separation law, and completing the simulation of the crack initiation and propagation process at the interface; and S4, performing simulation of the whole damage evolution process based on the finite element model to realize mechanical simulation analysis and prediction. Preferably, the step S1 specifically includes: Setting initial model parameters based on the initial microstructure state of the composite material, wherein the initial model parameters comprise atom types, atom numbers and position distribution, and constructing an initial model of the composite material based on the initial model parameters; Setting temperature, pressure and boundary condition parameters of the simulation of the solution permeation process, setting the time step and the total simulation time of the simulation, and performing molecular dynamics simulation based on the initial model in a set simulation environment; And after the simulation is finished, extracting microscopic information of atoms in the solution permeation process, and analyzing a solution permeation path, a solution permeation speed and microstructure evolution characteristics based on the microscopic information so as to obtain a microstructure model of the composite material. Preferably, in the step S2, the microstructure model is mapped to a finite element mesh, and the structure between the particles and the interface is retained, so as to obtain a finite elem