Atomic-scale insights into the frictional wear behaviour of nickel-based single-crystal high-temperature alloys in the γ/Laves phase

ZX Zhu and J Li and M Zheng and Q Lu and WH Chen and XC Wei and B Song, MOLECULAR SIMULATION, 51, 624-638 (2025).

DOI: 10.1080/08927022.2025.2512820

In this paper, a simulation model is established based on the geometric characteristics of the engine blade contact surface to study the deformation of the contact surface of the engine blade in service. A study of the frictional wear behaviour of the gamma/Laves interface and the microscopic deformation of the Laves phase itself has been carried out using a molecular dynamics (MD) modelling approach. A comprehensive study has been carried out from the point of view of mechanical properties, temperature, atomic displacements, deformation of the Laves phase, atomic motion laws and dislocation evolution. It is observed that the friction force and friction coefficient gradually decrease during reciprocating friction, and the presence of the interface leads to a temperature difference that can occur inside the gamma phase. The atoms in the Laves phase are affected by the gamma phase, and atomic precipitation occurs, and the precipitation of Nb atoms is more obvious than that of Ni atoms, as well as the direction of atomic motion in the gamma phase above the Laves phase is the same as the direction of atomic motion in the Laves phase. Dislocations are blocked as they extend into the Laves phase, leading to a transition from the large structural defects created in the workpiece to the more stable small structural defects.

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