Microcanonical temperature and its Arrhenius relation to lifetimes in isomerization dynamics of clusters

Kazuo Takatsuka, Tomohiro Yanao

研究成果: Article査読

16 被引用数 (Scopus)

抄録

Defining the microcanonical temperature as a kinetic energy which maximizes a phase space distribution projected onto the potential energy coordinate, it is shown that this temperature can characterize a time scale of structural isomerization dynamics in the liquid like phase. In particular, it was found that the local microcanonical temperature bears an Arrhenius-type relation to the inverse of the average lifetime in isomerization of M7 clusters. Thus, with this temperature one can extract critical information hidden behind the stepwise fluctuation of the kinetic energy of a trajectory in an isomerization process. A possible origin of the Arrhenius-type relation is explored.

本文言語English
ページ(範囲)2552-2562
ページ数11
ジャーナルJournal of Chemical Physics
113
7
DOI
出版ステータスPublished - 2000 8 15
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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