A molecular dynamics study of high-temperature tribological characteristics of NiCr coatings

NiCr-based coatings are widely used in high-temperature systems such as aeroengines and gas turbines; however, their fundamental nanoscale tribological mechanisms remain inadequately resolved. Here, molecular dynamics simulations were employed to investigate Ni 1-x Cr x alloys ( x = 10, 15, 20, 25, and 30 at.%) over a temperature range of 300–1200 K. The results show that frictional forces decrease by ∼43 % with increasing temperature and by ∼31 % with higher Cr concentration. Atomic-scale wear analysis reveals that elevated temperatures accelerate material degradation, while Cr addition mitigates wear accumulation. Thermal softening and localized amorphization at high temperatures contribute to more symmetric pile-up morphologies and a stabilized frictional response. Furthermore, increased Cr content enhances defect-mediated plasticity, thereby reducing interfacial resistance. These findings clarify the coupled influence of temperature and composition on nanoscale wear, offering atomistic insights to inform the design and optimization of NiCr coatings for high temperature environments.