| Nonequilibrium Molecular Dynamics Simulation Study of Kinetic Energy and Velocity Distribution Profiles of Argon Gases in Shock Waves |
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Hyon-Seok Hwang, Ji-Hye Lee, Chan-Ho Kwon, Hong-Lae Kim, Min-Kyu Park, Seong-Shik Kim |
1Department of Chemistry, Kangwon National University
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| 충격파 내에서 형성되는 아르곤 기체의 운동 에너지 분포와 속도 분포에 대한 비평형 분자동역학 모의실험 연구 |
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황현석, 이지혜, 권찬호, 김홍래, 박민규, 김성식 |
1강원대학교 화학과
2국방과학연구소 |
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| Abstract |
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A series of nonequilibrium molecular dynamics(NEMD) simulations are performed to investigate the kinetic energy and velocity distributions of molecules in shock waves. In the simulations, argon molecules are used as a medium gas through which shock waves are propagating. The kinetic energy distribution profiles reveals that as a strong shock wave whose Mach number is 27.1 is applied, 39.6% of argon molecules inside the shock wave have larger kinetic energy than molecular ionization energy. This indicates that an application of a strong shock wave to argon gas can give rise to an intense light. The velocity distribution profiles in z direction along which shock waves propagate clearly represent two Maxwell-Boltzmann distributions of molecular velocities in two equilibrium regions and one bimodal velocity distribution profile that is attributed to a nonequilibrium region. The peak appearing in the directional temperature in z direction is discussed on a basis of the bimodal velocity distribution in the nonequilibrium region. |
| Key Words:
Shock Wave, Shock Front, Argon Gas, Nonequilibrium Molecular, Dynamics Simulation, Rankine-Hugoniot Equations, Light-Generating Device |
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