# Multiscale Modeling Analysis of the Mechanical Behaviors and Failures of In Situ Particle Reinforced Titanium Matrix Composites Based on Microstructural Characteristics

## TL;DR

This paper uses multiscale modeling to study how in situ particle-reinforced titanium composites behave mechanically and fail.

## Contribution

A novel multiscale model coupling molecular dynamics and finite element methods is introduced to analyze PTMCs.

## Key findings

- Multiscale simulations show good agreement with experiments on mechanical properties like Young’s modulus and tensile strength.
- Stress transfer and fracture behavior of TiB particles are revealed through the multiscale approach.

## Abstract

A multiscale model is developed to investigate the mechanical behavior and failure of in situ particle reinforced titanium matrix composites (PTMCs). Through the microstructural observation of the heterogeneous microscopic and mesoscopic structures in the in situ TiB/Ti55531 composites, multiscale heterogeneous models coupled to the finite element method are employed to simulate the mechanical behaviors and failures. In the atomic scale, molecular dynamics (MD) simulations are applied to determine the traction-separation (T-S) responses of the cohesive zone model (CZM) describing the Ti/TiB interface. Then, the mesoscale representative volume element (RVE) model with heterogeneous structure, including the Ti55531 matrix, the TiB particles, and their interfaces represented by the parameterized CZM, is established. The volume fraction and distribution morphology of TiB particles result from the microstructural analysis of titanium matrix composites. The simulation results show that the Young’s modulus, tensile strength and elongation of multiscale are in excellent agreement with experimental results. The stress transfer, damage evolution and fracture behavior of the TiB particles in the composites are also analyzed using this multiscale approach.