Investigation of the deformation and interfacial structure strengthening mechanism in TixCy/Ni nano-composites

PC Le and TT Do and TH Fang and C Lee, APPLIED SURFACE SCIENCE, 700, 163220 (2025).

DOI: 10.1016/j.apsusc.2025.163220

This study examines the impact of titanium carbide (TixCy) reinforced phase configurations on the mechanical properties and interfacial behavior of TixCy/Ni composites under tensile loading using molecular dynamics simulations. Variations in tensile strain rate and derivative chemical composition significantly influence the performance of the material. Lower strain rates preserve the integrity of the reinforced phase by reducing TiC atom diffusion and promoting uniform shear strain distribution. Additionally, stair-rod dislocation clusters 1/6<110> inhibit the formation of Shockley dislocation loops, minimizing dislocation propagation within the Ni matrix. The nanosheet structure of Ti3C2 effectively redistributes external tensile load, reducing interfacial bond rupture by 50 % compared to other titanium carbide derivative compositions. A strong Pearson's correlation coefficients between tensile strain and dislocation length in TiC/Ni and Ti2C/Ni (p < 0.01). This work not only provides insights into the processing characteristics of TixCy/Ni composites but also identifies mechanisms for enhancing structural stability and minimizing damage, offering valuable guidance for the fabrication of high-quality composite materials.

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