Molecular dynamics simulations of internal stress evolution in ultrathin amorphous carbon films subjected to thermal annealing

2020 ◽  
Vol 713 ◽  
pp. 138247
Author(s):  
Shengxi Wang ◽  
Kyriakos Komvopoulos
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Internal Stress ◽  
Thermal Annealing ◽  
Amorphous Carbon ◽  
Carbon Films ◽  
Stress Evolution ◽  
Amorphous Carbon Films ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Structures of Amorphous Carbon Films via Deposition

2011 ◽  
Vol 194-196 ◽  
pp. 2220-2224
Author(s):  
Hui Qing Lan ◽  
Zheng Ling Kang
Keyword(s):  
Molecular Dynamics ◽  
Amorphous Carbon ◽  
Growth Dynamics ◽  
Carbon Films ◽  
Film Structure ◽  
Dynamics Simulation ◽  
Carbon Ions ◽  
Amorphous Carbon Films ◽  
Dynamics Simulations ◽  
The Impact

The growth of amorphous carbon films via deposition is investigated using molecular dynamics simulation with a modified Tersoff potential. The impact energy of carbon atoms ranges from 1 to 50 eV and the temperature of the diamond substrate is 300 K. The effects of the incident energy on the growth dynamics and film structure are studied in a detail. Simulation results show that the mobility of surface atoms in the cascade region is enhanced by impacting energetic carbon ions, especially at moderate energy, which favors the growth of denser and smoother films with better adhesion to the substrate. Our results agree qualitatively with the experimental observation.

scholarly journals Growth mechanism of hydrogenated carbon films: molecular dynamics simulations of the effects of low energy CH radical

2012 ◽  
Vol 61 (3) ◽  
pp. 030701
Author(s):  
Song Qing ◽  
Ji Li ◽  
Quan Wei-Long ◽  
Zhang Lei ◽  
Tian Miao ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Growth Mechanism ◽  
Carbon Films ◽  
Low Energy ◽  
Dynamics Simulations ◽  
Ch Radical

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.

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