剛体球系の結晶化

—高速アルゴリズムによる相転移の神秘の解明—

抄録

  The hard sphere/disk systems are one of the simplest models and have been playing a crucial role to investigate the fundamental problems, especially in the field of statistical physics. The pioneering numerical works on the solid-fluid phase transition by using Monte Carlo (MC) and molecular dynamics (MD) methods on the electronic computer was published in 1957. As historical milestones, those works have had a significant influence on the development of computer algorithms and provide novel tools to analyze a broad range of the physical phenomena from the microscopic points of view. This article reviews that (i) historical aspects of the study of hard sphere/disk systems from the viewpoints of computer simulation and (ii) modern methodologies especially for "Hybrid Scheme" between Event-Chain MC and Event-Driven MD. We also addressed (iii) recent applications of the novel methods in the study of melting/crystallization and the phase transition including the binary mixture systems as the simple glass model.