Large-scale molecular dynamics simulations of normal shock waves in dilute argon

2009 ◽  
Vol 21 (6) ◽  
pp. 066101 ◽  
Author(s):  
Paolo Valentini ◽  
Thomas E. Schwartzentruber
Keyword(s):  
Molecular Dynamics ◽  
Shock Waves ◽  
Molecular Dynamics Simulations ◽  
Large Scale ◽  
Normal Shock ◽  
Dynamics Simulations

Molecular Dynamics Simulations on Internal Structures of Normal Shock Waves in Lennard-Jones Liquids

1995 ◽  
Vol 117 (1) ◽  
pp. 97-103 ◽  
Author(s):  
Akira Satoh
Keyword(s):  
Molecular Dynamics ◽  
Boundary Condition ◽  
Mach Number ◽  
Shock Waves ◽  
Molecular Dynamics Simulations ◽  
Normal Shock ◽  
Lennard Jones ◽  
Internal Structures ◽  
Dynamics Simulations ◽  
Shock Fronts

The present paper describes a highly efficient method for simulating the generation of shock waves in liquids by using the periodic-shell boundary condition, which is an outer boundary condition for molecular dynamics simulations. This method is used to simulate normal shock waves in Lennard-Jones liquids, clarifying the internal structures of shock fronts and the dependence of shock thicknesses on the shock Mach number. The present method significantly decreases computation times because it enables us to simulate only the shock fronts. Some of the main results derived by these simulations of molecular dynamics are that an overshoot in the profile of longitudinal temperature arises in liquid shock waves as well as in gas shock waves, that the thickness of shock front decreases with increasing Mach number, and that this thickness is about two times the diameter of molecules when the Mach number is 4.

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
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