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Strong Correlation Between Atomic-Level Pressures and Viscous Shear Relaxations in Liquids

  • Mechanical Properties of Metastable Materials Containing Strong Disorder
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Abstract

Liquids are ubiquitous, but the atomic origin of viscosity remains unknown because of structural disorder and dynamic complexities. By using molecular dynamics simulation for liquid iron, we find a strong local correlation between the atomic-level pressure and the relaxation of atomic-level shear stress that is directly connected to viscosity. The results show that atomic sites under compression are more unstable against shear than those under tension, which causes fast relaxation in atomic-level shear stress. This result indicates spatial heterogeneities in the local viscosity in a liquid. We also find a temperature-independent relation between the local shear relaxation time and atomic-level volume strain, which suggests a universal structure-dynamics relationship in liquids. To explain our new findings, we discuss the relationships between the atomic-level pressure and various other parameters, such as the atomic-level shear stress, von Mises stress, local coordination number, and mean-squared displacements of atoms.

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Acknowledgements

TI acknowledges Takeshi Egami for the useful discussion and suggestions. This work was supported by JPSJ KAKENHI Grant Nos. JP17K14371 and JP19K03771. The computations were performed using Research Center for Computational Science, Okazaki, Japan. This work was partly achieved through the use of PC cluster for large-scale visualization (VCC) at the Cybermedia Center, Osaka University.

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Authors and Affiliations

  1. Department of Integrated Science and Technology, Oita University, Oita, 870-1192, Japan

    T. Iwashita

  2. Department of Electric and Electrical Engineering, Oita University, Oita, 870-1192, Japan

    T. Iwashita, H. Koga & S. Yamada

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  1. T. Iwashita
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  2. H. Koga
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  3. S. Yamada
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Correspondence to T. Iwashita.

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Iwashita, T., Koga, H. & Yamada, S. Strong Correlation Between Atomic-Level Pressures and Viscous Shear Relaxations in Liquids. JOM 72, 854–859 (2020). https://doi.org/10.1007/s11837-019-03889-8

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  • DOI: https://doi.org/10.1007/s11837-019-03889-8

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