A theoretical evaluation of the temperature and strain-rate dependent fracture strength of tilt grain boundaries in graphene

Based on molecular dynamic simulations, we investigate the effects of temperature and strain rate on the strength of single layer graphene with tilt grain boundaries under tension. The simulation results show that temperature plays an important role in the strength of graphene with grain boundaries....

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Bibliographic Details
Published inCarbon (New York) Vol. 51; pp. 373 - 380
Main Authors Yi, Lijun, Yin, Zhengnan, Zhang, Yingyan, Chang, Tienchong
Format Journal Article
LanguageEnglish
Published Kidlington Elsevier Ltd 01.01.2013
Elsevier
Subjects
Boundaries
Camber
Cross-disciplinary physics: materials science; rheology
Exact sciences and technology
Fullerenes and related materials; diamonds, graphite
Grain boundaries
Graphene
Materials science
Physics
Simulation
Specific materials
Strain rate
Strength
Tilt
Grain boundaries
Molecular dynamics
Simulation
Graphene
Density
Defects
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Summary:Based on molecular dynamic simulations, we investigate the effects of temperature and strain rate on the strength of single layer graphene with tilt grain boundaries under tension. The simulation results show that temperature plays an important role in the strength of graphene with grain boundaries. The strength of graphene with grain boundaries decreases significantly as temperature increases. In particular, we confirm a previous report that graphene with large angle tilt boundaries (which has a high density of defects) may be much stronger than that with low angle boundaries. This finding holds true for temperatures from 10 to 1800K and strain rates from 0.0001 to 0.01ps−1.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:0008-6223
1873-3891
DOI:10.1016/j.carbon.2012.08.069