Přístupnostní navigace
E-application
Search Search Close
Publication detail
Liu, J. Sestak, P. Zhang, Z. Wu, J.
Original Title
Brittle and ductile behavior in monolayer MoS2
Type
journal article in Web of Science
Language
English
Original Abstract
Using first-principles calculations, we study the response of monolayer MoS2 with pentagon-heptagon (5|7) pair defect-dominated grain boundary (GB) to an in-plane tension. Brittle or ductile behaviors can occur depending on the GB tilt angle (theta). Brittle failure is dominated by step-by-step dissociation of bonds at GBs, while ductile failure is characterized by a series of reaction and glide events of dislocations. Surprisingly, as theta = 9.40 degrees, 5|7 dislocation defects are annihilated by stretching to form defect-free MoS2. Moreover, the failure strength increases with increasing 5|7 dislocation defect and can be explained by the continuum disclination dipole theory. (C) 2022 Elsevier Ltd. All rights reserved.
Keywords
Dislocation; Ductile; Brittle; Mechanical failure; Density functional theory
Authors
Liu, J.; Sestak, P. ; Zhang, Z. ; Wu, J.
Released
1. 12. 2022
Publisher
ELSEVIER
Location
AMSTERDAM
ISBN
2588-8420
Periodical
Materials Today Nano
Year of study
20
Number
100245
State
United Kingdom of Great Britain and Northern Ireland
Pages count
7
URL
https://www.sciencedirect.com/science/article/pii/S2588842022000736?via%3Dihub
BibTex
@article{BUT182256, author="Liu, J. and Sestak, P. and Zhang, Z. and Wu, J.", title="Brittle and ductile behavior in monolayer MoS2", journal="Materials Today Nano", year="2022", volume="20", number="100245", pages="7", doi="10.1016/j.mtnano.2022.100245", issn="2588-8420", url="https://www.sciencedirect.com/science/article/pii/S2588842022000736?via%3Dihub" }