Diffusion Dynamics of the Li Atom on Amorphous Carbon:  A Direct Molecular Orbital−Molecular Dynamics Study

2006 ◽  
Vol 110 (41) ◽  
pp. 20445-20450 ◽  
Author(s):  
Hiroto Tachikawa ◽  
Akira Shimizu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Orbital ◽  
Amorphous Carbon ◽  
Diffusion Dynamics

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).

Tight-Binding Molecular Dynamics Study of Liquid and Amorphous Carbon

1992 ◽  
Vol 291 ◽  
Author(s):  
C. Z. Wang ◽  
K. M. Ho ◽  
C. T. Chan
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Amorphous Carbon ◽  
Simulation Study ◽  
Tight Binding ◽  
Sufficient Accuracy ◽  
Complex Carbon ◽  
Dynamics Simulations

ABSTRACTTight-binding molecular-dynamics simulations are performed to study the structure of liquid and amorphous carbon. Comparisons of our results with ab initiomolecular dynamics (Car-Parrinello) results and experimental data show that the scheme has sufficient accuracy and efficiency for realistic simulation study of the structural properties of complex carbon systems.

scholarly journals Generation of amorphous carbon models using liquid quench method: A reactive molecular dynamics study

Carbon ◽  
2017 ◽  
Vol 113 ◽  
pp. 87-99 ◽  
Author(s):  
Raghavan Ranganathan ◽  
Srujan Rokkam ◽  
Tapan Desai ◽  
Pawel Keblinski
Keyword(s):  
Molecular Dynamics ◽  
Amorphous Carbon ◽  
Reactive Molecular Dynamics ◽  
Quench Method
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