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Title: Correlation between electron-irradiation defects and applied stress in graphene: A molecular dynamics study

Molecular dynamics (MD) simulations are performed to study the correlation between electron irradiation defects and applied stress in graphene. The electron irradiation effect is introduced by the binary collision model in the MD simulation. By applying a tensile stress to graphene, the number of adatom-vacancy (AV) and Stone–Wales (SW) defects increase under electron irradiation, while the number of single-vacancy defects is not noticeably affected by the applied stress. Both the activation and formation energies of an AV defect and the activation energy of an SW defect decrease when a tensile stress is applied to graphene. Applying tensile stress also relaxes the compression stress associated with SW defect formation. These effects induced by the applied stress cause the increase in AV and SW defect formation under electron irradiation.
Authors:
; ; ; ;  [1] ;  [2]
  1. Department of Physics and Electronics, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan)
  2. Department of Electrical and Control Systems Engineering, National Institute of Technology, Toyama College, Toyama 939-8630 (Japan)
Publication Date:
OSTI Identifier:
22479652
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Vacuum Science and Technology. A, Vacuum, Surfaces and Films; Journal Volume: 33; Journal Issue: 5; Other Information: (c) 2015 American Vacuum Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING; ACTIVATION ENERGY; COLLISIONS; CORRELATIONS; DEFECTS; ELECTRONS; FORMATION HEAT; GRAPHENE; IRRADIATION; MOLECULAR DYNAMICS METHOD; SIMULATION; STRESSES; VACANCIES