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Dynamics and Elastic Properties of Glassy Metastable States

by 1,2
Institute of Computational Fluid Dynamics, 1-16-5 Haramachi, Meguro-ku, Tokyo 152-0011, Japan
Kagami Memorial Research Institute for Materials Science and Technology, Waseda University, 2-8-26 Nishiwaseda, Shinjuku-ku, Tokyo 169-0051, Japan
Academic Editor: Dino Leporini
Solids 2021, 2(2), 249-264;
Received: 27 April 2021 / Revised: 13 May 2021 / Accepted: 21 May 2021 / Published: 4 June 2021
(This article belongs to the Special Issue Feature Papers of Solids 2021)
By a molecular dynamics (MD) simulation method which ensures the system will be under hydrostatic pressure, dynamic and elastic properties of glassy metatstable states are investigated. In the MD method, the simulation cell fluctuates not only in volume but also in shape under constant hydrostatic pressure and temperature. As observed in experiments for many glass forming materials, metastable states in our simulation show a sharp increase in mean-square-displacement at certain temperatures TD. Dynamic heterogeneity is also observed at TD. Elastic properties are calculated from stress and strain relations obtained from the spontaneous fluctuation of internal stress tensor and simulation cell parameters. Each investigated state shows distinctive dynamics while maintaining solid-like elastic properties. The elastic properties stay intact even above TD. It has been shown that the rigidity and mobility of glassy metastable states are compatible under dynamic heterogeneity. View Full-Text
Keywords: molecular dynamics; glass; elasticity molecular dynamics; glass; elasticity
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MDPI and ACS Style

Aoki, K.M. Dynamics and Elastic Properties of Glassy Metastable States. Solids 2021, 2, 249-264.

AMA Style

Aoki KM. Dynamics and Elastic Properties of Glassy Metastable States. Solids. 2021; 2(2):249-264.

Chicago/Turabian Style

Aoki, Keiko M. 2021. "Dynamics and Elastic Properties of Glassy Metastable States" Solids 2, no. 2: 249-264.

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