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Stress Waves and Characteristics of Zigzag and Armchair Silicene Nanoribbons

The mechanical properties of silicene nanostructures subject to tensile loading were studied via a molecular dynamics (MD) simulation. The effects of temperature on Young’s modulus and the fracture strain of silicene with armchair and zigzag types were examined. The maximum in-plane stress and the c...

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Autores principales: Fan, Yu-Cheng, Fang, Te-Hua, Chen, Tao-Hsing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5224602/
https://www.ncbi.nlm.nih.gov/pubmed/28335252
http://dx.doi.org/10.3390/nano6070120
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author Fan, Yu-Cheng
Fang, Te-Hua
Chen, Tao-Hsing
author_facet Fan, Yu-Cheng
Fang, Te-Hua
Chen, Tao-Hsing
author_sort Fan, Yu-Cheng
collection PubMed
description The mechanical properties of silicene nanostructures subject to tensile loading were studied via a molecular dynamics (MD) simulation. The effects of temperature on Young’s modulus and the fracture strain of silicene with armchair and zigzag types were examined. The maximum in-plane stress and the corresponding critical strain of the armchair and the zigzag silicene sheets at 300 K were 8.85 and 10.62, and 0.187 and 0.244 N/m, respectively. The in-plane stresses of the silicene sheet in the armchair direction at the temperatures of 300, 400, 500, and 600 K were 8.85, 8.50, 8.26, and 7.79 N/m, respectively. The in-plane stresses of the silicene sheet in the zigzag direction at the temperatures of 300, 400, 500, and 600 K were 10.62, 9.92, 9.64, and 9.27 N/m, respectively. The improved mechanical properties can be calculated in a silicene sheet yielded in the zigzag direction compared with the tensile loading in the armchair direction. The wrinklons and waves were observed at the shear band across the center zone of the silicene sheet. These results provide useful information about the mechanical and fracture behaviors of silicene for engineering applications.
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spelling pubmed-52246022017-03-21 Stress Waves and Characteristics of Zigzag and Armchair Silicene Nanoribbons Fan, Yu-Cheng Fang, Te-Hua Chen, Tao-Hsing Nanomaterials (Basel) Article The mechanical properties of silicene nanostructures subject to tensile loading were studied via a molecular dynamics (MD) simulation. The effects of temperature on Young’s modulus and the fracture strain of silicene with armchair and zigzag types were examined. The maximum in-plane stress and the corresponding critical strain of the armchair and the zigzag silicene sheets at 300 K were 8.85 and 10.62, and 0.187 and 0.244 N/m, respectively. The in-plane stresses of the silicene sheet in the armchair direction at the temperatures of 300, 400, 500, and 600 K were 8.85, 8.50, 8.26, and 7.79 N/m, respectively. The in-plane stresses of the silicene sheet in the zigzag direction at the temperatures of 300, 400, 500, and 600 K were 10.62, 9.92, 9.64, and 9.27 N/m, respectively. The improved mechanical properties can be calculated in a silicene sheet yielded in the zigzag direction compared with the tensile loading in the armchair direction. The wrinklons and waves were observed at the shear band across the center zone of the silicene sheet. These results provide useful information about the mechanical and fracture behaviors of silicene for engineering applications. MDPI 2016-06-24 /pmc/articles/PMC5224602/ /pubmed/28335252 http://dx.doi.org/10.3390/nano6070120 Text en © 2016 by the authors; licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC-BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Fan, Yu-Cheng
Fang, Te-Hua
Chen, Tao-Hsing
Stress Waves and Characteristics of Zigzag and Armchair Silicene Nanoribbons
title Stress Waves and Characteristics of Zigzag and Armchair Silicene Nanoribbons
title_full Stress Waves and Characteristics of Zigzag and Armchair Silicene Nanoribbons
title_fullStr Stress Waves and Characteristics of Zigzag and Armchair Silicene Nanoribbons
title_full_unstemmed Stress Waves and Characteristics of Zigzag and Armchair Silicene Nanoribbons
title_short Stress Waves and Characteristics of Zigzag and Armchair Silicene Nanoribbons
title_sort stress waves and characteristics of zigzag and armchair silicene nanoribbons
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5224602/
https://www.ncbi.nlm.nih.gov/pubmed/28335252
http://dx.doi.org/10.3390/nano6070120
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