Critical role of the bending stiffness of the monolayer black phosphorus in its mechanical behaviors: Molecular dynamics simulation

2020 ◽  
Author(s):  
Peng Hao ◽  
Demin Zhao ◽  
Yalin Luan ◽  
Jianlin Liu ◽  
Qing Wang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Critical Role ◽  
Bending Stiffness ◽  
Black Phosphorus ◽  
Dynamics Simulation ◽  
Mechanical Behaviors

The role of optical phonons in intermediate layer-mediated thermal transport across solid interfaces

2017 ◽  
Vol 19 (28) ◽  
pp. 18407-18415 ◽  
Author(s):  
Eungkyu Lee ◽  
Tengfei Luo
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Optical Phonon ◽  
Thermal Transport ◽  
Intermediate Layer ◽  
Dynamics Simulation ◽  
Optical Phonons ◽  
Spectral Matching

A study with molecular dynamics simulation shows that optical phonon vibrational spectral matching by an intermediate layer can significantly impact thermal transport across diatomic solid interfaces.

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