摘要
为深入研究微小尺度系统的热力学性质和相转变机制 ,以粒子间通过 L ennard- Jones势能作用的 2维系统为模型 ,通过正则系综 Monte Carlo模拟细致地考察了气 /液相转变区的平衡态参数。沿等温线的模拟结果显示了在气 /液相转变区内系统状态连续变化的特征 ,与固 /液相转变区的状态变化趋势相同。热力学性质和系统微观行为的模拟结果都表明 ,模拟系统的气 /液相转变具有一级相变的特征 ,与已知的固 /液一级相变相对应 ;从而揭示了固 /液相转变和气 /液相转变机制的一致性 ,建立了 2维 L ennard-
Thermodynamic properties and mechanism of phase transitions in the two dimensional Lennard Jones Systems are studied by Monte Carlo method. Canonical ensemble Monte Carlo simulations are performed for a wide range of thermodynamic equilibrium states. Simulation results along the sub critical isotherms show characteristics of a smooth small system loop in the gas/liquid phase transition region, which is similar to the known loop like isotherm in the solid/liquid phase transition region. A first order gas/liquid phase transition is strongly suggested, similar to the first order solid/liquid phase transition. Therefore, both the gas/liquid transition and the solid/liquid transition can be descrebed by a self consistent first order phase transition.
出处
《清华大学学报（自然科学版）》
EI
CAS
CSCD
北大核心
2001年第2期84-87,共4页
Journal of Tsinghua University(Science and Technology)
基金
国家自然科学基金项目!(5 9776 0 13)
