Effect of Modulation Period on the Structure and Mechanical Properties of Nanoscale W/ZrB2 Multilayered Coatings

Liu, G.Q.; Kang, Y.B.; Wang, H.Y.; Xue, F.Y.; Deng, Xiangyun; Li, D.J.

doi:10.1016/j.phpro.2011.06.050

Cited by 6 publications

(2 citation statements)

References 15 publications

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“…The error bars are drawn using the standard deviation that was calculated from the 10 indents. As we can see, the results agree well with the change regulations of other types of the multilayers [ 6 , 13 , 14 , 15 , 16 , 17 , 18 , 19 , 23 , 31 , 36 ]. For the ReB 2 /TaN multilayers, the hardness reaches a maximum value of 38.7 GPa at Λ = 10 nm and t ReB2 : t TaN = 1:1, and then decreases as Λ increases or t ReB2 : t TaN decreases further.…”

Section: Resultssupporting

confidence: 84%

“…In our previous work, we performed a preliminary study of a ReB 2 /TaN multilayer coating. It was found that the modulation period can control the mechanical properties of the ReB 2 /TaN multilayers and induce the highest hardness of 28 GPa and modulus of 345.9 GPa with a lower residual stress [ 17 ]. However, no simulation and calculation results of the interfacial model and hard mechanism were studied in order to advance the in-depth understanding of the relationship between the mechanical properties and the multilayered structure.…”

Section: Introductionmentioning

confidence: 99%

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Interfacial Model and Characterization for Nanoscale ReB2/TaN Multilayers at Desired Modulation Period and Ratios: First-Principles Calculations and Experimental Investigations

Jin

2018

Nanomaterials

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The interfacial structure of ReB2/TaN multilayers at varied modulation periods (Λ) and modulation ratios (tReB2:tTaN) was investigated using key experiments combined with first-principles calculations. A maximum hardness of 38.7 GPa occurred at Λ = 10 nm and tReB2:tTaN = 1:1. The fine nanocrystalline structure with small grain sizes remained stable for individual layers at Λ= 10 nm and tReB2:tTaN = 1:1. The calculation of the interfacial structure model and interfacial energy was performed using the first principles to advance the in-depth understanding of the relationship between the mechanical properties, residual stresses, and the interfacial structure. The B-Ta interfacial configuration was calculated to have the highest adsorption energy and the lowest interfacial energy. The interfacial energy and adsorption energy at different tReB2:tTaN followed the same trend as that of the residual stress. The 9ReB2/21TaN interfacial structure in the B-Ta interfacial configuration was found to be the most stable interface in which the highest adsorption energy and the lowest interfacial energy were obtained. The chemical bonding between the neighboring B atom and the Ta atom in the interfaces showed both covalency and iconicity, which provided a theoretical interpretation of the relationship between the residual stress and the stable interfacial structure of the ReB2/TaN multilayer.

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