Please use this identifier to cite or link to this item: https://hdl.handle.net/2440/75975
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Type: Journal article
Title: Mechanical characterization of a novel nanocrystalline coating: first-principles calculations and nanoindentation
Author: Lai, D.
Xu, J.
Xie, Z.
Habibi, D.
Munroe, P.
Citation: Materials Characterization, 2012; 68:1-6
Publisher: Elsevier Science Inc
Issue Date: 2012
ISSN: 1044-5803
Statement of
Responsibility: 
Daohui Lai, Jiang Xu, Zong-Han Xie, Daryoush Habibi, Paul Munroe
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. © 2012 Elsevier Inc. All rights reserved.
Keywords: Transition metal silicides
First-principles
Nanocrystalline materials
Mechanical Properties
Rights: © 2012 Published by Elsevier Inc.
DOI: 10.1016/j.matchar.2012.03.003
Published version: http://dx.doi.org/10.1016/j.matchar.2012.03.003
Appears in Collections:Aurora harvest 4
Materials Research Group publications
Mechanical Engineering publications

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