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The effect of Si content on the elastic mechanical properties and microstructure of laser-cladded AlCoCrFeNi2.1Six coatings: first-principles calculations and experiments
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DOI：10.1007/s10853-026-13057-4.png)
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Abstract
En 中文
To systematically elucidate the effects of Si content on the phase evolution, bonding characteristics, and mechanical performance of laser-cladded AlCoCrFeNi2.1Six coatings, first-principles calculations and experimental characterization were conducted for x = 0, 0.1, 0.3, and 0.5. The calculated results show that the addition of Si makes the formation enthalpy more negative, indicating enhanced thermodynamic stability, while simultaneously increasing the lattice volume and reducing the alloy density. Although the Young’s modulus and shear modulus of both FCC and BCC structures decrease slightly with increasing Si content, all structures satisfy the Born stability criteria. Electronic structure analysis further demonstrates that Si enhances p-d orbital hybridization with neighboring atoms, weakens metallic bonding, and strengthens covalent interactions, thereby promoting short-range ordering and structural stability. Experimental results confirm that increasing Si content drives the coating microstructure from an FCC-dominated state toward an FCC/BCC dual-phase structure with an increased BCC fraction. Correspondingly, the hardness, H/E, and H3/E2 values increase significantly, and the E-Si0.5 coating exhibits the highest hardness of 8.07 GPa together with the best predicted wear resistance. The findings of this study can provide atomic-scale mechanistic insights and experimental support for the design of high-performance eutectic high-entropy alloy coatings.
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