Effect of crystallographic orientation on tribological behavior of FeNiCrCoCu high-entropy alloy coating: A molecular dynamics study

DW Li and L Huang and JH Huang and ZY Xie, MATERIALS TODAY COMMUNICATIONS, 48, 113658 (2025).

DOI: 10.1016/j.mtcomm.2025.113658

The FeNiCrCoCu high-entropy alloy (HEA) is a promising material for coating applications due to its superior wear resistance, hardness, and thermal stability. To investigate the influence of crystallographic orientation on the tribological properties of HEA-coated Cu substrates, molecular dynamics simulations were employed to analyze the friction behavior of abrasive particles and the wear mechanisms of the material. Three interface configurations between the FeNiCrCoCu HEA coating and the Cu substrate were selected ((112)HEA||(001)Cu, (110)HEA||(001)Cu and (111)HEA||(001)Cu) with controlled cutting depths and velocities during friction testing. The findings indicate that deeper cutting significantly impacts both frictional and normal forces, resulting in an elevated friction coefficient. In contrast, the influence of cutting velocity on these factors remains relatively minimal. Interface (112)HEA||(001)Cu exhibits optimal wear resistance with a minimal atomic loss ratio of 14.5 %. Although interface (111)HEA||(001)Cu achieves the lowest friction coefficient and a minimum atomic loss ratio of 12.8 %, its close-packed plane configuration promotes interfacial sliding, disqualifying it for coating applications. The HEA coating protects the Cu substrate by absorbing and releasing stress during friction, activating dislocations that generate stacking faults within the coating to shield the substrate from damage. Concurrently, sessile dislocations are generated, leading to dislocation entanglement and subsequent strain hardening, which enhances the strength and hardness of the coating while maintaining its structural integrity. Overall, this research provides valuable theoretical insights and practical guidance for the application of highentropy alloys in wear-resistant applications.

Return to Publications page