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10.3390/ma19010035
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Article

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

by
Xixi Geng
1,
Kejian Li
1,
Zhiyang Liao
1,
Zhipeng Li
2,
Zhipeng Cai
1 and
Qu Liu
1,*
1
Department of Mechanical Engineering, Tsinghua University, Beijing 100084, China
2
Avic Shenyang Aircraft Design & Research Institute, Shenyang 110035, China
*
Author to whom correspondence should be addressed.
Materials 2026, 19(1), 35; https://doi.org/10.3390/ma19010035 (registering DOI)
Submission received: 27 November 2025 / Revised: 18 December 2025 / Accepted: 19 December 2025 / Published: 21 December 2025
(This article belongs to the Special Issue Corrosion Behavior and Mechanical Properties of Metallic Materials (Second Edition))
Versions Notes

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.
Keywords: particle reinforced titanium matrix composites; multiscale model; mechanical behaviors; damage evolution particle reinforced titanium matrix composites; multiscale model; mechanical behaviors; damage evolution

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MDPI and ACS Style

Geng, X.; Li, K.; Liao, Z.; Li, Z.; Cai, Z.; Liu, Q. Multiscale Modeling Analysis of the Mechanical Behaviors and Failures of In Situ Particle Reinforced Titanium Matrix Composites Based on Microstructural Characteristics. Materials 2026, 19, 35. https://doi.org/10.3390/ma19010035

AMA Style

Geng X, Li K, Liao Z, Li Z, Cai Z, Liu Q. Multiscale Modeling Analysis of the Mechanical Behaviors and Failures of In Situ Particle Reinforced Titanium Matrix Composites Based on Microstructural Characteristics. Materials. 2026; 19(1):35. https://doi.org/10.3390/ma19010035

Chicago/Turabian Style

Geng, Xixi, Kejian Li, Zhiyang Liao, Zhipeng Li, Zhipeng Cai, and Qu Liu. 2026. "Multiscale Modeling Analysis of the Mechanical Behaviors and Failures of In Situ Particle Reinforced Titanium Matrix Composites Based on Microstructural Characteristics" Materials 19, no. 1: 35. https://doi.org/10.3390/ma19010035

APA Style

Geng, X., Li, K., Liao, Z., Li, Z., Cai, Z., & Liu, Q. (2026). Multiscale Modeling Analysis of the Mechanical Behaviors and Failures of In Situ Particle Reinforced Titanium Matrix Composites Based on Microstructural Characteristics. Materials, 19(1), 35. https://doi.org/10.3390/ma19010035

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