The roles of defects including monatomic vacancies and Stone-Wales dislocations in the mechanical and thermal properties of graphene are investigated here through molecular dynamics ( MD) simulations. The results show that Young's modulus of a defected graphene sheet has a gentle dependence with the concentration of defects, while the thermal conductivity is much more sensitive. Analysis based on the effective medium theory (EMT) indicates that this sensitivity originates from the scattering of phonons by defects and delocalized interaction between them, which leads to a transition from propagating to diffusive mode as the concentration increases. (C) 2011 American Institute of Physics. [doi:10.1063/1.3615290]
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Hong Kong Polytech Univ, Inst Text & Clothing, Kowloon, Hong Kong, Peoples R China
Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77005 USA
Rice Univ, Dept Chem, Houston, TX 77005 USASandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA
Ding, Feng
Yakobson, Boris I.
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Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77005 USA
Rice Univ, Dept Chem, Houston, TX 77005 USASandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA
Yakobson, Boris I.
Lu, Ping
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机构:Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA
Lu, Ping
Qi, Liang
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Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USASandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA
Qi, Liang
Li, Ju
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Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USASandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA
机构:
Hong Kong Polytech Univ, Inst Text & Clothing, Kowloon, Hong Kong, Peoples R China
Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77005 USA
Rice Univ, Dept Chem, Houston, TX 77005 USASandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA
Ding, Feng
Yakobson, Boris I.
论文数: 0引用数: 0
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机构:
Rice Univ, Dept Mech Engn & Mat Sci, Houston, TX 77005 USA
Rice Univ, Dept Chem, Houston, TX 77005 USASandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA
Yakobson, Boris I.
Lu, Ping
论文数: 0引用数: 0
h-index: 0
机构:Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA
Lu, Ping
Qi, Liang
论文数: 0引用数: 0
h-index: 0
机构:
Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USASandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA
Qi, Liang
Li, Ju
论文数: 0引用数: 0
h-index: 0
机构:
Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USASandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA