scholarly journals The structures of hexadecylamine films adsorbed on iron-oxide surfaces in dodecane and hexadecane

2015 ◽  
Vol 17 (7) ◽  
pp. 5248-5255 ◽  
Author(s):  
Michael Doig ◽  
Philip J. Camp
Keyword(s):  
Molecular Dynamics ◽  
Iron Oxide ◽  
Molecular Dynamics Simulations ◽  
Large Scale ◽  
Oxide Surfaces ◽  
Dynamics Simulations

The structure and friction of hexadecylamine surfactant films on iron oxide in alkanes are studied using large-scale molecular-dynamics simulations.

Nanolubrication by ionic liquids: molecular dynamics simulations reveal an anomalous effective rheology

2015 ◽  
Vol 17 (35) ◽  
pp. 23226-23235 ◽  
Author(s):  
Nicolas Voeltzel ◽  
Andrew Giuliani ◽  
Nicolas Fillot ◽  
Philippe Vergne ◽  
Laurent Joly
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Iron Oxide ◽  
Molecular Dynamics Simulations ◽  
Oxide Surfaces ◽  
Thermal Slip ◽  
Dynamics Simulations

All-atom molecular dynamics simulations of an ionic liquid confined between iron oxide surfaces reveal an anomalous effective rheology induced by hydrodynamic and thermal slip at the walls.

scholarly journals Nonequilibrium Molecular Dynamics Simulations of Organic Friction Modifiers Adsorbed on Iron Oxide Surfaces

Langmuir ◽  
2016 ◽  
Vol 32 (18) ◽  
pp. 4450-4463 ◽  
Author(s):  
James P. Ewen ◽  
Chiara Gattinoni ◽  
Neal Morgan ◽  
Hugh A. Spikes ◽  
Daniele Dini
Keyword(s):  
Molecular Dynamics ◽  
Iron Oxide ◽  
Molecular Dynamics Simulations ◽  
Nonequilibrium Molecular Dynamics ◽  
Oxide Surfaces ◽  
Friction Modifiers ◽  
Dynamics Simulations

scholarly journals Large-scale molecular dynamics simulations of TiN/TiN(001) epitaxial film growth

2016 ◽  
Vol 34 (4) ◽  
pp. 041509 ◽  
Author(s):  
Daniel Edström ◽  
Davide G. Sangiovanni ◽  
Lars Hultman ◽  
Ivan Petrov ◽  
J. E. Greene ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Large Scale ◽  
Epitaxial Film ◽  
Film Growth ◽  
Dynamics Simulations ◽  
Epitaxial Film Growth

scholarly journals Bimodal Grain-Size Scaling of Thermal Transport in Polycrystalline Graphene from Large-Scale Molecular Dynamics Simulations

Nano Letters ◽  
2017 ◽  
Vol 17 (10) ◽  
pp. 5919-5924 ◽  
Author(s):  
Zheyong Fan ◽  
Petri Hirvonen ◽  
Luiz Felipe C. Pereira ◽  
Mikko M. Ervasti ◽  
Ken R. Elder ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Grain Size ◽  
Molecular Dynamics Simulations ◽  
Thermal Transport ◽  
Large Scale ◽  
Size Scaling ◽  
Dynamics Simulations ◽  
Bimodal Grain Size

Large-scale molecular dynamics simulations of nanomachining

2017 ◽  
pp. 141-177 ◽  
Author(s):  
Stefan J. Eder ◽  
Ulrike Cihak-Bayr ◽  
Davide Bianchi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Large Scale ◽  
Dynamics Simulations
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