論文

2018年2月1日

Slowest kinetic modes revealed by metabasin renormalization

Physical Review E
  • Teruaki Okushima
  • ,
  • Tomoaki Niiyama
  • ,
  • Kensuke S. Ikeda
  • ,
  • Yasushi Shimizu

97
2
開始ページ
021301-1-5
終了ページ
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1103/PhysRevE.97.021301
出版者・発行元
American Physical Society

Understanding the slowest relaxations of complex systems, such as relaxation of glass-forming materials, diffusion in nanoclusters, and folding of biomolecules, is important for physics, chemistry, and biology. For a kinetic system, the relaxation modes are determined by diagonalizing its transition rate matrix. However, for realistic systems of interest, numerical diagonalization, as well as extracting physical understanding from the diagonalization results, is difficult due to the high dimensionality. Here, we develop an alternative and generally applicable method of extracting the long-time scale relaxation dynamics by combining the metabasin analysis of Okushima et al. [Phys. Rev. E 80, 036112 (2009)PLEEE81539-375510.1103/PhysRevE.80.036112] and a Jacobi method. We test the method on an illustrative model of a four-funnel model, for which we obtain a renormalized kinematic equation of much lower dimension sufficient for determining slow relaxation modes precisely. The method is successfully applied to the vacancy transport problem in ionic nanoparticles [Niiyama, Chem. Phys. Lett. 654, 52 (2016)CHPLBC0009-261410.1016/j.cplett.2016.04.088], allowing a clear physical interpretation that the final relaxation consists of two successive, characteristic processes.

リンク情報
DOI
https://doi.org/10.1103/PhysRevE.97.021301
ID情報
  • DOI : 10.1103/PhysRevE.97.021301
  • ISSN : 2470-0053
  • ISSN : 2470-0045
  • SCOPUS ID : 85042127554

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