Sticking of hydrocarbon radicals on different amorphous hydrogenated carbon surfaces: a molecular dynamics study

2010 ◽  
Vol 12 (42) ◽  
pp. 14067 ◽  
Author(s):  
E. D. de Rooij ◽  
A. W. Kleyn ◽  
W. J. Goedheer
Keyword(s):  
Molecular Dynamics ◽  
Hydrocarbon Radicals ◽  
Carbon Surfaces ◽  
Amorphous Hydrogenated Carbon

scholarly journals Simulation of Mechanical Deformation and Tribology of Nano-Thin Amorphous Hydrogenated Carbon (a:Ch) Films Using Molecular Dynamics

1996 ◽  
Vol 436 ◽  
Author(s):  
J. N. Glosli ◽  
M. R. Philpott ◽  
J. Belak
Keyword(s):  
Molecular Dynamics ◽  
Substrate Temperature ◽  
Computer Simulations ◽  
Mechanical Deformation ◽  
Porous Graphite ◽  
Pure Carbon ◽  
Substrate Temperatures ◽  
Amorphous Hydrogenated Carbon ◽  
Deposition Energy

AbstractMolecular dynamics computer simulations are used to study the effect of substrate temperature on the microstructure of deposited amorphous hydrogenated carbon (a:CH) films. A transition from dense diamond-like films to porous graphite-like films is observed between substrate temperatures of 400K and 600K for a deposition energy of 20 eV. The dense a:CH film grown at 300K and 20 eV has a hardness (˜50 GPa) about half that of a pure carbon (a:C) film grown under the same conditions.

Ferrocene Adsorbed on Silica and Activated Carbon Surfaces: A Solid-State NMR Study of Molecular Dynamics and Surface Interactions

2020 ◽  
Vol 39 (7) ◽  
pp. 1080-1091 ◽  
Author(s):  
Patrick J. Hubbard ◽  
Jordon W. Benzie ◽  
Vladimir I. Bakhmutov ◽  
Janet Blümel
Keyword(s):  
Molecular Dynamics ◽  
Activated Carbon ◽  
Solid State ◽  
Solid State Nmr ◽  
Surface Interactions ◽  
Nmr Study ◽  
Carbon Surfaces

Molecular dynamics simulations of CH3 sticking on carbon surfaces

2003 ◽  
Vol 93 (3) ◽  
pp. 1826-1831 ◽  
Author(s):  
P. Träskelin ◽  
E. Salonen ◽  
K. Nordlund ◽  
A. V. Krasheninnikov ◽  
J. Keinonen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Carbon Surfaces ◽  
Dynamics Simulations

scholarly journals Ultra-Thin Carbon Coatings for Head-Disk Interface Tribology

1994 ◽  
Vol 356 ◽  
Author(s):  
J. N. Glosli ◽  
J. Belak ◽  
M. R. Philpott
Keyword(s):  
Molecular Dynamics ◽  
Residual Stress ◽  
Bond Order ◽  
Microstructural Properties ◽  
Head Disk Interface ◽  
Carbon Coatings ◽  
Disk Interface ◽  
Thin Carbon ◽  
Bond Order Potential ◽  
Amorphous Hydrogenated Carbon

AbstractMolecular dynamics computer simulations of the growth processes and microstructural properties of amorphous carbon (a:C) and amorphous hydrogenated carbon (a:CH) ultra-thin films have been performed. Films 1 to 10 nm thick were grown on a diamond (100) surface using Brenner’s[1–2] bond-order potential for hydrocarbons. The stoichiometry, radial distribution function, chemical bonding (amount of sp2 and sp3 hybridization) and residual stress are presented.

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