Next Article in Journal
Improved Catalytic Performance of Au/α-Fe2O3-Like-Worm Catalyst for Low Temperature CO Oxidation
Next Article in Special Issue
Modeling Analysis of Silk Fibroin/Poly(ε-caprolactone) Nanofibrous Membrane under Uniaxial Tension
Previous Article in Journal
Ferroelectric Polarization-Enhanced Photocatalysis in BaTiO3-TiO2 Core-Shell Heterostructures
Open AccessArticle

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

1
Department of Engineering Mechanics, Chongqing University, Chongqing 400044, China
2
State Key Laboratory of Coal Mining Disaster Dynamics and Control, Chongqing University, Chongqing 400044, China
3
Advanced Manufacturing Engineering, Chongqing University of Posts and Telecommunications, Chongqing 400065, China
*
Authors to whom correspondence should be addressed.
Nanomaterials 2019, 9(8), 1117; https://doi.org/10.3390/nano9081117
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)
  |  
PDF [4493 KB, uploaded 3 August 2019]
  |     |  

Abstract

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.
View Full-Text
Keywords: nanotwin; detwinning; extreme hardness; excellent stability nanotwin; detwinning; extreme hardness; excellent stability
Figures

Graphical abstract

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).

Supplementary material

SciFeed

Share & Cite This Article

MDPI and ACS Style

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.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Nanomaterials EISSN 2079-4991 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top