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분자동역학법에 의한 기체분자의 속도분포에 관한연구

A Study on the Velocity Distribution of Gas Molecules by the Molecular Dynamics Method

최순호
한국마린엔지니어링학회 (The Korean Society of Marine Engineering)|2004.03|한국마린엔지니어링학회지 (Journal of Advanced Marine Engineering and Technology)|제28권 제3호|pp. 441-450

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참고문헌

키워드

Lennard-Jones Potential(레나드-존스 포텐셜)Molecular Dynamics(분자동역학)Periodic Boundary Condition(주기경계조건)
주제분류기계공학

초록

Abstract

The velocity distribution of gas molecules from the experimental results was confirmed as the same with the Maxwell-Boltzmann's theoretical results within the experimental error. This study is on the realization of the Maxwell-Boltzmann's velocity distribution of gas molecules by the molecular dynamics(MD) method. The Maxwell-Boltzmann's velocity distribution of gas molecules is extremely important to confirm the equilibrium state because the properties of a thermodynamic system shall be obtained from the system's equilibrium configuration in the MD method. This study is the first trial in the successive researches to calculate the properties of a thermodynamic system by the computer simulations. We confirmed that the maxwell-boltzmann's velocity distribution is developed in some transient time after starting a simulation and dependent on the size of a system. Also it is found that the velocity distribution has no relation with an initial configuration of gas molecules.

참고문헌 (11)

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