Configurational Entropy, Diffusivity and Potential Energy Landscape in Liquid Argon
DUAN Yong-Ping, MA Cong-Xiao, LI Jia-Yun, LI Cong, WANG Dan, LI Mei-Li, SUN Min-Hua
Heilongjiang Key Laboratory for Advanced Functional Materials and Excited State Process, School of Physics and Electronic Engineering, Harbin Normal University, Harbin 150025
Configurational Entropy, Diffusivity and Potential Energy Landscape in Liquid Argon
DUAN Yong-Ping, MA Cong-Xiao, LI Jia-Yun, LI Cong, WANG Dan, LI Mei-Li, SUN Min-Hua
Heilongjiang Key Laboratory for Advanced Functional Materials and Excited State Process, School of Physics and Electronic Engineering, Harbin Normal University, Harbin 150025
The configurational entropy, diffusion coefficient, dynamics and thermodynamics fragility indices of liquid argon are calculated using molecular dynamics simulations at two densities. The relationship between dynamics and thermodynamics properties is studied. The diffusion coefficient depends linearly on configurational entropy, which is consistent with the hypothesis of Adam-Gibbs. The consistence of dynamics and thermodynamics fragility indices demonstrates that dynamical behaviour is governed by thermodynamics behaviour in glass transition of liquid argon.
The configurational entropy, diffusion coefficient, dynamics and thermodynamics fragility indices of liquid argon are calculated using molecular dynamics simulations at two densities. The relationship between dynamics and thermodynamics properties is studied. The diffusion coefficient depends linearly on configurational entropy, which is consistent with the hypothesis of Adam-Gibbs. The consistence of dynamics and thermodynamics fragility indices demonstrates that dynamical behaviour is governed by thermodynamics behaviour in glass transition of liquid argon.
DUAN Yong-Ping;MA Cong-Xiao;LI Jia-Yun;LI Cong;WANG Dan;LI Mei-Li;SUN Min-Hua. Configurational Entropy, Diffusivity and Potential Energy Landscape in Liquid Argon[J]. 中国物理快报, 2009, 26(1): 16402-016402.
DUAN Yong-Ping, MA Cong-Xiao, LI Jia-Yun, LI Cong, WANG Dan, LI Mei-Li, SUN Min-Hua. Configurational Entropy, Diffusivity and Potential Energy Landscape in Liquid Argon. Chin. Phys. Lett., 2009, 26(1): 16402-016402.
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