Mechanical characterization of a novel nanocrystalline coating: First-principles calculations and nanoindentation

Authors

D Lai
Jiang Xu, Edith Cowan University
Zonghan Xie, Edith Cowan UniversityFollow
Daryoush Habibi, Edith Cowan UniversityFollow
P Munroe

Document Type

Journal Article

Keywords

First-principles, Mechanical Properties, Nanocrystalline materials, Transition metal silicidesAverage grain size, Experimental data, First-principles, First-principles calculation, High hardness, Mechanical characterizations, Nano-structured, Nanocrystalline coatings, Nanostructured coatings, Preferred orientations, Tensile loading, Transition metal silicides, Volcanic ash, Coatings, Jet engines, Mechanical properties, Nanocrystalline materials, Nanoindentation, Silicides, Transition metal compounds, Transition metals, Calculations

Faculty

Faculty of Computing, Health and Science

School

School of Engineering

RAS ID

15228

Comments

Lai, D., Xu, J. , Xie, Z. , Habibi, D. , & Munroe, P. (2012). Mechanical characterization of a novel nanocrystalline coating: First-principles calculations and nanoindentation. Materials Characterization, 68, 1-6.

Abstract

A nanostructured MoSi 2 coating with the average grain size of 5 nm and a strong (111) preferred orientation, was synthesized potentially for jet engine hot-zone components against volcanic ash damage. The high hardness of the resulting coating was predicted using first-principles calculations and found to agree well with the experimental data determined by nanoindentation. We also found that the softening and subsequent breaking of the Mo - Si bonds were responsible for the failure of this nanostructured coating under tensile loading.

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