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

Kazuo Takatsuka, Tomohiro Yanao

Research output: Contribution to journalArticlepeer-review

16 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)2552-2562
Number of pages11
JournalJournal of Chemical Physics
Volume113
Issue number7
DOIs
Publication statusPublished - 2000 Aug 15
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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