Tribochemical Mechanism of Amorphous Silica Asperities in Aqueous Environment: A Reactive Molecular Dynamics Study

Langmuir ◽  
2015 ◽  
Vol 31 (4) ◽  
pp. 1429-1436 ◽  
Author(s):  
Da-Chuan Yue ◽  
Tian-Bao Ma ◽  
Yuan-Zhong Hu ◽  
Jejoon Yeon ◽  
Adri C. T. van Duin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Amorphous Silica ◽  
Aqueous Environment ◽  
Reactive Molecular Dynamics

Adhesion between Copper and Amorphous Silica: A Reactive Molecular Dynamics Study

2018 ◽  
Vol 122 (49) ◽  
pp. 28204-28214 ◽  
Author(s):  
Shingo Urata ◽  
Haruhiko Yoshino ◽  
Madoka Ono ◽  
Satoshi Miyasaka ◽  
Ryota Ando ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Amorphous Silica ◽  
Reactive Molecular Dynamics

Reactive Molecular Dynamics Studies of DMMP Adsorption and Reactivity on Amorphous Silica Surfaces

2010 ◽  
Vol 114 (44) ◽  
pp. 18894-18902 ◽  
Author(s):  
Jason Quenneville ◽  
Ramona S. Taylor ◽  
Adri C. T. van Duin
Keyword(s):  
Molecular Dynamics ◽  
Amorphous Silica ◽  
Silica Surfaces ◽  
Reactive Molecular Dynamics

scholarly journals Reactive molecular dynamics simulation of the high-temperature pyrolysis of 2,2′,2′′,4,4′,4′′,6,6′,6′′-nonanitro-1,1′:3′,1′′-terphenyl (NONA)

RSC Advances ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 5507-5515
Author(s):  
Liang Song ◽  
Feng-Qi Zhao ◽  
Si-Yu Xu ◽  
Xue-Hai Ju
Keyword(s):  
Molecular Dynamics ◽  
High Temperature ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulation ◽  
Reactive Molecular Dynamics ◽  
Ring Compounds ◽  
Fused Ring ◽  
Dynamics Simulations

The bimolecular and fused ring compounds are found in the high-temperature pyrolysis of NONA using ReaxFF molecular dynamics simulations.

scholarly journals A reactive molecular dynamics study on the mechanical properties of a recently synthesized amorphous carbon monolayer converted into a nanotube/nanoscroll

2021 ◽  
Author(s):  
Marcelo Lopes Pereira Junior ◽  
Wiliam Ferreira da Cunha ◽  
Douglas Soares Galvão ◽  
Luiz Antonio Ribeiro Junior
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Chemical Vapor Deposition ◽  
Amorphous Carbon ◽  
Vapor Deposition ◽  
Chemical Vapor ◽  
Free Standing ◽  
Reactive Molecular Dynamics

Recently, laser-assisted chemical vapor deposition has been used to synthesize a free-standing, continuous, and stable monolayer amorphous carbon (MAC).

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