| Development and Application of a Nonequilibrium Molecular Dynamics Simulation Method to Study Shock Waves Propagating in Argon Gas |
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Hyon-Seok Hwang, Chan-Ho Kwon, Hong-Lae Kim, Seong-Shik Kim, Min-Kyu Park |
1Department of Chemistry, Kangwon National University
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| 아르곤 기체에서 진행하는 충격파 연구를 위한 비평형 분자동역학 모의실험 개발 및 응용 |
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황현석, 권찬호, 김홍래, 김성식, 박민규 |
1강원대학교 화학과
2국방과학연구소 |
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| Abstract |
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A nonequilibrium molecular dynamics(NEMD) simulation method is developed and applied to study shock waves propagating through argon gas. In this simulation method, shock waves are generated by pushing a piston at a constant speed from one side of a simulation box filled with argon molecules. A linear relationship between piston speeds and shock speeds is observed. Thermodynamic properties including density, temperature, and pressure before and after the shock front are obtained from the simulations and compared with the well-known Rankine-Hugoniot equations based on ideal gases. The comparison shows an excellent agreement, indicating that this NEMD simulation method can be employed to investigate various physical properties of shock waves further. |
| Key Words:
Shock Wave, Shock Front, Argon Gas, Nonequilibrium Molecular Dynamics Simulation, Rankine-Hugoniot Relations, Light-Generating Device |
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