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Matsuura, Kohei*; Mizukami, Yuta*; Arai, Yuki*; Sugimura, Yuichi*; Maejima, Naoyuki*; Machida, Akihiko*; Watanuki, Tetsu*; Fukuda, Tatsuo; Yajima, Takeshi*; Hiroi, Zenji*; et al.
Nature Communications (Internet), 8, p.1143_1 - 1143_6, 2017/10
Times Cited Count:80 Percentile:91.57(Multidisciplinary Sciences)Kaburaki, Hideo; Li, J.*; Yip, S.*; Kimizuka, Hajime*
Journal of Applied Physics, 102(4), p.043514_1 - 043514_6, 2007/08
Times Cited Count:46 Percentile:81.98(Physics, Applied)The thermal conductivity of a rare-gas crystal (Ar) is computed using equilibrium molecular dynamics in conjunction with the Green-Kubo linear response formalism, and the Lennard-Jones potential with an appropriately long cutoff. Besides predicting absolute values of the conductivity from low temperature up to the liquid, the approach allows heat conduction to be understood as a dynamical process through the temporal behavior of the heat current correlation function. At low temperatures the correlation function shows a characteristic two-stage decay, a short-time relaxation which we attribute to single-particle motions in a local environment, and a more extended component corresponding to collective atomic motions (phonons). As temperature increases the second correlation component diminishes much faster than the first component, indicating a transition from mainly phase-coherent phonon transport to mainly phase-incoherent interatomic energy transfer in solids.
Shimizu, Futoshi; Kimizuka, Hajime*; Kaburaki, Hideo; Li, J.*; Yip, S.*
Proceedings of 4th International Conference on Supercomputing in Nuclear Applications (SNA 2000) (CD-ROM), 10 Pages, 2000/09
no abstracts in English
Kaburaki, Hideo; Li, J.*; Yip, S.*; Kimizuka, Hajime*
no journal, ,
Thermal conductivity of the Lennard-Jones (LJ) argon system has been derived by the equilibrium molecular dynamics method with the Green-Kubo formalism, and dynamical aspects of thermal conduction have been studied by analyzing the heat flux autocorrelation function, in contrast to the conventional Peierls phonon Boltzmann concept. At low temperatures the correlation function shows a characteristic two-stage decay, and we attribute a short-time relaxation to single-particle motions in a local environment and an extended relaxation to collective atomic motions. The short-time relaxation process is best characterized by calculating the two extreme cases, the liquid state and the harmonic system. We conclude that single particle diffusive motions are not very different from liquid to solid in the high temperature region and approaches to a random state in the low temperature and harmonic limit.
Kaburaki, Hideo; Li, J.*; Yip, S.*; Kimizuka, Hajime*
no journal, ,
no abstracts in English