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

Document Type

Journal Article

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.

DOI

10.1016/j.matchar.2012.03.003

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