We propose a method to detect alternating diffusive states undergoing a free diffusive state and a trapped state described by the Ornstein-Uhlenbeck process. Using a stochastic model with alternating diffusive states, a phenomenological model of glassy dynamics, we show that control parameters in the method may be determined by the mean square displacement and the non-Gaussianity parameter. Our method works when diffusivities for the two states are clearly distinct and all the states last longer than a specified relaxation time. Applying our method to molecular dynamics simulation data of supercooled liquids, we show that trapped states last for a long time and the sojourn-time distribution for trapped states becomes a power-law form as the temperature approaches the glass temperature.
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21 July 2019
Research Article|
July 15 2019
Unveiling diffusive states from center-of-mass trajectories in glassy dynamics
Special Collection:
Chemical Physics of Supercooled Water
Yuto Hachiya;
Yuto Hachiya
1
Department of Physics, Tokyo University of Science
, Noda, Chiba 278-8510, Japan
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Takashi Uneyama
;
Takashi Uneyama
2
Center for Computational Science, Graduate School of Engineering, Nagoya University
, Furo-cho, Chikusa, Nagoya 464-8603, Japan
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Toshihiro Kaneko
;
Toshihiro Kaneko
3
Department of Mechanical Engineering, The University of Tokyo
, Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
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Takuma Akimoto
Takuma Akimoto
a)
1
Department of Physics, Tokyo University of Science
, Noda, Chiba 278-8510, Japan
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Note: This paper is part of a JCP Special Topic on Chemical Physics of Supercooled Water.
J. Chem. Phys. 151, 034502 (2019)
Article history
Received:
April 19 2019
Accepted:
June 24 2019
Citation
Yuto Hachiya, Takashi Uneyama, Toshihiro Kaneko, Takuma Akimoto; Unveiling diffusive states from center-of-mass trajectories in glassy dynamics. J. Chem. Phys. 21 July 2019; 151 (3): 034502. https://doi.org/10.1063/1.5100640
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