Molecular Dynamics Study of SiC Nanoparticle Effect on Crack Growth in Ti-6Al-4V Alloy

BP Asadollahi and MP Panah and R Sabetvand, JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE (2023).

DOI: 10.1007/s11665-023-08217-5

The crack growth in atomic structures is one of the important phenomenon which can affect the mechanical properties of them under external forces. In this work, the crack growth in Ti-6Al-4 V alloys is described by using molecular dynamics (MD) approach. The results of our computational study are represented by temperature, total energy, crack length and ultimate strength of atomic alloy calculation. Our simulations predicted physical stability of modeled alloy in the presence of SiC nanoparticles. Also, MD outputs show that mechanical behavior of Ti-6Al-4 V alloy is improved by SiC nanoparticle adding to them. Between various ratios of nanoparticles, physical stability of pristine alloy is optimized in the presence of 5% SiC nanoparticle. Numerically, the crack length changes from 32.05 to 28.81 angstrom for pristine and reinforced alloy. Also, SiC nanoparticle using caused ultimate strength and Young's modulus of structures increased to 1384 and 71.85 MPa, respectively. Initial condition affected mechanical performance of modeled Ti-6Al-4 V-based samples. By pressure and temperature changes, the attraction force between various particles converged to different values. This procedure affected crack growth process and mechanical strength of modeled alloy. So, this atomic/mechanical behavior should be considered in actual applications of Ti-6Al-4 V alloy.

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