The inhibitory role of Co2+ on α-glucosidase: Inhibition kinetics and molecular dynamics simulation integration study

2014 ◽  
Vol 49 (11) ◽  
pp. 1913-1919 ◽  
Author(s):  
Xuan Li ◽  
Zhi-Rong Lü ◽  
Dong Shen ◽  
Yi Zhan ◽  
Jun-Mo Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Inhibition Kinetics ◽  
Inhibitory Role

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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