Phase diagram of the modified Lennard-Jones system

DOI PDF 被引用文献10件 参考文献39件
  • Yuta Asano
    Ehime University Department of Physics, , Matsuyama 790-8577, Japan
  • Kazuhiro Fuchizaki
    Ehime University Department of Physics, , Matsuyama 790-8577, Japan

抄録

<jats:p>An investigation of the precise determination of melting temperature in the modified Lennard-Jones system under pressure-free conditions [Y. Asano and K. Fuchizaki, J. Phys. Soc. Jpn. 78, 055002 (2009)10.1143/JPSJ.78.055002] was extended under finite-pressure conditions to obtain the phase diagram. The temperature and pressure of the triple point were estimated to be 0.61 ε/kB and 0.0018(5) ε/σ3, and those of the critical point were 1.0709(19) ε/kB and 0.1228(20) ε/σ3, where ε and σ are the Lennard-Jones parameters for energy and length scales, respectively, and kB is the Boltzmann constant. The potential used here has a finite attractive tail and does not suffer from cutoff problems. The potential can thus be a useful standard in examining statistical–mechanical problems in which different treatments for the tail would lead to different conclusions. The present phase diagram will then be a useful guide not only for equilibrium calculations but also for nonequilibrium problems such as discussions of the limits of phase (in)stability.</jats:p>

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