Molecular dynamics simulation study on structure and mechanical properties of (Ti41Zr25Be28Fe6)93Cu7 bulk metallic glass

H Vafaeenezhad and M Haddad-Sabzevar and A Rezaee-Bazzaz and AR Eivani, JOURNAL OF ALLOYS AND COMPOUNDS, 1037, 182617 (2025).

DOI: 10.1016/j.jallcom.2025.182617

The mechanical properties of (Ti41Zr25Be28Fe6)93Cu7 bulk metallic glass were investigated using nanoindentation tests and Molecular Dynamics simulation (LAMMPS) to model the behavior of both crystalline and amorphous phases. Nanoindentation simulations employed indenter radius of 8, 10, and 15 & Aring;, while indentation velocities of 0.1, 0.15 and 0.2 (A & ring;ps) were applied in both nanoindentation and tensile simulations. Nanoindentation results revealed that increasing the indentation velocity led to higher hardness in both crystalline and amorphous samples, attributed to increased applied loads at a given indentation depth. Conversely, hardness decreased with increasing indenter size. Young's modulus, a characteristic material property, remained largely unaffected by variations in indenter size and indentation velocity in both phases. Tensile simulations further confirmed that the amorphous phase exhibited superior energy absorption during deformation, likely due to its relatively inherent energy dissipation mechanisms.

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