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Experimental and molecular dynamics study of cross-scale strengthening and wear mechanisms of laser-cladded ZrB2-reinforced Al0.5CoCrFeNi coatings.

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Title: Experimental and molecular dynamics study of cross-scale strengthening and wear mechanisms of laser-cladded ZrB2-reinforced Al0.5CoCrFeNi coatings.
Authors: Pan, Xingzhi1 (AUTHOR), Huang, Chuanjin1 (AUTHOR), Chen, Yang1 (AUTHOR), Wang, Xi1 (AUTHOR) wangxi2020@ycit.edu.cn, Liu, Shuangyu1 (AUTHOR) liushuangyu@ycit.edu.cn, Gao, Hanpeng2 (AUTHOR), Huang, Hong1 (AUTHOR)
Source: Ceramics International. May2026:Part A, Vol. 52 Issue 12, p18465-18480. 16p.
Subjects: Zirconium boride, Wear resistance, Laser deposition, Strengthening mechanisms in solids, High-entropy alloys, Oxide coating, Microhardness, Molecular dynamics
Abstract: Al 0.5 CoCrFeNi high-entropy alloys offer a favorable strength–ductility balance; however, their wear resistance needs improvement under severe sliding to extend service life and reduce wear-induced failure. Introducing high-hardness stable ceramic particles is an effective method. A key challenge is to study their evolution during laser cladding and their roles in affecting hardness and wear mechanisms. To address this, Al 0.5 CoCrFeNi and Al 0.5 CoCrFeNi–10 wt% ZrB 2 composite coatings were fabricated via laser cladding and systematically characterized, while molecular dynamics (MD) nanoindentation and nanoscratch simulations were performed to examine the strengthening mechanisms. ZrB 2 particles partially melted/dissolved and formed a reaction layer at the particle–matrix interface during cladding, while the associated elemental redistribution promoted the precipitation of a Zr-rich Laves phase, forming a dispersion-strengthened structure comprising residual ZrB 2 and the Laves phase. ZrB 2 addition increases the near-surface cross-sectional microhardness from 673.6 to 679.1 HV 1 to 768.7–789.3 HV 1 , while the wear volume decreases by 26.2% under dry sliding against a 4-mm GCr15 ball (30 N, 5-mm stroke, 1 Hz, 30 min, and room temperature). Energy-dispersive spectroscopy and X-ray photoelectron spectroscopy analyses indicate that the incorporation of ZrB 2 promotes the formation of a dense Al 2 O 3 -rich oxide glaze layer, with minor Cr-containing oxides, CrO x , shifting the wear mode toward mild abrasion and adhesion. MD simulations suggest that ZrB 2 -related reinforcement localizes stress/strain and hinders dislocation/stacking-fault activity, providing qualitative mechanistic insights into the improved wear resistance. • ZrB 2 strengthening is studied across scales via experiments and MD simulations. • ZrB 2 particles and Laves phase form a dispersion-strengthened structure. • ZrB 2 addition raises microhardness and lowers wear depth and volume. • ZrB 2 particles anchor and stabilize a dense oxide glaze layer. • ZrB 2 particles shield stress, pin dislocations and faults, and limit plasticity. [ABSTRACT FROM AUTHOR]
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Abstract:Al 0.5 CoCrFeNi high-entropy alloys offer a favorable strength–ductility balance; however, their wear resistance needs improvement under severe sliding to extend service life and reduce wear-induced failure. Introducing high-hardness stable ceramic particles is an effective method. A key challenge is to study their evolution during laser cladding and their roles in affecting hardness and wear mechanisms. To address this, Al 0.5 CoCrFeNi and Al 0.5 CoCrFeNi–10 wt% ZrB 2 composite coatings were fabricated via laser cladding and systematically characterized, while molecular dynamics (MD) nanoindentation and nanoscratch simulations were performed to examine the strengthening mechanisms. ZrB 2 particles partially melted/dissolved and formed a reaction layer at the particle–matrix interface during cladding, while the associated elemental redistribution promoted the precipitation of a Zr-rich Laves phase, forming a dispersion-strengthened structure comprising residual ZrB 2 and the Laves phase. ZrB 2 addition increases the near-surface cross-sectional microhardness from 673.6 to 679.1 HV 1 to 768.7–789.3 HV 1 , while the wear volume decreases by 26.2% under dry sliding against a 4-mm GCr15 ball (30 N, 5-mm stroke, 1 Hz, 30 min, and room temperature). Energy-dispersive spectroscopy and X-ray photoelectron spectroscopy analyses indicate that the incorporation of ZrB 2 promotes the formation of a dense Al 2 O 3 -rich oxide glaze layer, with minor Cr-containing oxides, CrO x , shifting the wear mode toward mild abrasion and adhesion. MD simulations suggest that ZrB 2 -related reinforcement localizes stress/strain and hinders dislocation/stacking-fault activity, providing qualitative mechanistic insights into the improved wear resistance. • ZrB 2 strengthening is studied across scales via experiments and MD simulations. • ZrB 2 particles and Laves phase form a dispersion-strengthened structure. • ZrB 2 addition raises microhardness and lowers wear depth and volume. • ZrB 2 particles anchor and stabilize a dense oxide glaze layer. • ZrB 2 particles shield stress, pin dislocations and faults, and limit plasticity. [ABSTRACT FROM AUTHOR]
ISSN:02728842
DOI:10.1016/j.ceramint.2026.02.409