한국연소학회:학술대회논문집
- 한국연소학회 2004년도 제29회 KOSCI SYMPOSIUM 논문집
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- Pages.161-166
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- 2004
일차 상변화 과정의 분자 동력학적 모사
Molecular Dynamics Simulation of First-Order Phase Transition
초록
A study of argon droplet vaporization is conducted using molecular dynamics. Instead of using traditional method such as the Navier-Stokes equation. Molecular dynamics uses Lagrangian frame to describe molecular behavior in a system and uses only momentum and position data of all molecules in the system. So every property is not a hypothetical input but a statistical result calculated from the momentum and position data. This work performed a simulation of the first-order stability for phase transition of a three dementional submicron argon droplet within quiescent environment. Lennard-Jones 12-6 potential function is used as a intermolecular potential function. The molecular configuration is examined while an initially non-sperical droplet is changed into the spherical shape and droplet evaporates or condensates.