Critical role of surficial activity in the sintering process of TiO2 nanoparticles by molecular dynamics simulation

2021 ◽  
pp. 117071
Author(s):  
Haozhen Yang ◽  
Benyao Sun ◽  
Yunfan Zhu ◽  
Deqiang Yin ◽  
Jianyao Yao
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Tio2 Nanoparticles ◽  
Critical Role ◽  
Dynamics Simulation ◽  
Sintering Process

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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