Molecular dynamics-based research on the micro-regime of impact- vibration nanofriction of dual-phase titanium-aluminum alloys

M Zheng and Q Lu and YJ Liu and ZX Zhu and JK Shi and H Tan and XQ Qin, PHYSICA SCRIPTA, 100, 085409 (2025).

DOI: 10.1088/1402-4896/adf0ad

Duplex aluminum-titanium alloys are extensively utilized in aerospace and other applications due to their superior mechanical properties and lightweight potential. However, the mechanisms of abrasion and defect evolution under impact vibration friction remain unclear and require in- depth investigation. This paper comparatively studies the friction behavior and wear mechanisms of duplex titanium aluminide alloys under impact vibration friction and conventional linear friction via molecular dynamics (MD) simulations. The findings indicate that the average total force on the workpiece under impact vibration friction is less than that under conventional linear friction, but the friction forces of both increase significantly when the abrasive ball approaches the interface, revealing the strengthening influence of the interface. The periodic trajectory of impact-vibration friction results in uneven wear debris accumulation and energy distribution, and its intermittent shock loading promotes the dynamic rearrangement and dense arrangement of material atoms, which enhances deformation resistance. High-frequency energy inputs result in a higher overall temperature level, despite the greater amplitude of temperature fluctuations. Further analysis reveals that the two-phase interface forms an 'interface strengthening-plasticity regulation' dual mechanism by hindering dislocation motion and promoting proliferation. Impact loads significantly activate dislocation sources, resulting in a dislocation quantity and various dislocation densities significantly higher than those in conventional linear friction, while severe plastic deformation promotes amorphization of more atomic lattices.

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