Molecular Dynamics Simulations of Normal Shock Waves in Dilute Gas Mixtures

2012 ◽  
Author(s):  
Paolo Valentini ◽  
Patrick Tump ◽  
Chonglin Zhang ◽  
Thomas Schwartzentruber
Keyword(s):  
Molecular Dynamics ◽  
Shock Waves ◽  
Molecular Dynamics Simulations ◽  
Gas Mixtures ◽  
Normal Shock ◽  
Dilute Gas ◽  
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.

Initial Decomposition of the Condensed-Phase β-HMX under Shock Waves: Molecular Dynamics Simulations

2012 ◽  
Vol 116 (46) ◽  
pp. 13696-13704 ◽  
Author(s):  
Ni-Na Ge ◽  
Yong-Kai Wei ◽  
Guang-Fu Ji ◽  
Xiang-Rong Chen ◽  
Feng Zhao ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Shock Waves ◽  
Molecular Dynamics Simulations ◽  
Condensed Phase ◽  
Dynamics Simulations

Continuum predictions from molecular dynamics simulations: Shock waves

2003 ◽  
Vol 118 (7) ◽  
pp. 3161-3165 ◽  
Author(s):  
Seth Root ◽  
Robert J. Hardy ◽  
David R. Swanson
Keyword(s):  
Molecular Dynamics ◽  
Shock Waves ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Shock Waves in Mixtures of Noble Gases

2013 ◽  
Vol 27 (2) ◽  
pp. 226-234 ◽  
Author(s):  
Paolo Valentini ◽  
Patrick A. Tump ◽  
Chonglin Zhang ◽  
Thomas E. Schwartzentruber
Keyword(s):  
Molecular Dynamics ◽  
Shock Waves ◽  
Molecular Dynamics Simulations ◽  
Noble Gases ◽  
Dynamics Simulations
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