Investigating the mechanical and fracture behaviour of Ti-based nanocomposites reinforced with single and bi-crystalline hBN nanosheets

J Singh and R Kumar and R Sehgal, MATERIALS CHEMISTRY AND PHYSICS, 328, 130017 (2024).

DOI: 10.1016/j.matchemphys.2024.130017

The design and manufacturing of graphene and hBN-based nanocomposites is taking the era of material design to new horizons. The present article employs MD simulations to investigate the mechanical, fracture, and interfacial behaviour of the Ti-based nanocomposites reinforced with pristine as well as defective single and bi-crystalline hBN nanosheets. The nanocomposites exhibited over similar to 100 % improvements in the failure strengths as compared to pristine Ti matrices. Reinforcement of the Ti matrices with single and bi-crystalline hBN nanosheets improved the failure strengths of the nanocomposites from 4.06 GPa to 9.74 GPa and 9.80 GPa, respectively. However, an increase in vacancy defect (Single or Di-vacancy) concentration (0-6%) resulted in a successive reduction of the failure strength of the nanocomposites. Moreover, the deformation mechanisms in Ti matrices reinforced with pristine and defective nanosheets were observed to be governed by 101 (1) over bar1 < 10<(12)over bar>> compression twin and 10 (1) over bar0 < 11<(2)over bar>0 > prismatic slip dislocations, respectively. Furthermore, the pull-out and pull-up velocities models of interfacial shear and cohesive strengths, respectively, were employed to confirm the observed results.

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