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Open AccessArticle

Detwinning Mechanism for Nanotwinned Cubic Boron Nitride with Unprecedented Strength: A First-Principles Study

Department of Engineering Mechanics, Chongqing University, Chongqing 400044, China
State Key Laboratory of Coal Mining Disaster Dynamics and Control, Chongqing University, Chongqing 400044, China
Advanced Manufacturing Engineering, Chongqing University of Posts and Telecommunications, Chongqing 400065, China
Authors to whom correspondence should be addressed.
Nanomaterials 2019, 9(8), 1117;
Received: 12 July 2019 / Revised: 25 July 2019 / Accepted: 26 July 2019 / Published: 3 August 2019
(This article belongs to the Special Issue Advanced Mechanical Modeling of Nanomaterials and Nanostructures)
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Synthesized nanotwinned cubic boron nitride (nt-cBN) and nanotwinned diamond (nt-diamond) exhibit extremely high hardness and excellent stability, in which nanotwinned structure plays a crucial role. Here we reveal by first-principles calculations a strengthening mechanism of detwinning, which is induced by partial slip on a glide-set plane. We found that continuous partial slip in the nanotwinned structure under large shear strain can effectively delay the structural graphitization and promote the phase transition from twin structure to cubic structure, which helps to increase the maximum strain range and peak stress. Moreover, ab initio molecular dynamics simulation reveals a stabilization mechanism for nanotwin. These results can help us to understand the unprecedented strength and stability arising from the twin boundaries.
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Keywords: nanotwin; detwinning; extreme hardness; excellent stability nanotwin; detwinning; extreme hardness; excellent stability

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Yang, B.; Peng, X.; Sun, S.; Huang, C.; Yin, D.; Chen, X.; Fu, T. Detwinning Mechanism for Nanotwinned Cubic Boron Nitride with Unprecedented Strength: A First-Principles Study. Nanomaterials 2019, 9, 1117.

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