A theory of localized excitations in supercooled liquids

نویسندگان

چکیده

A new connection between structure and dynamics in glass-forming liquids is presented. We show how the origin of spatially localized excitations, as defined by dynamical facilitation (DF) theory, can be understood from a structure-based framework. This framework constructed associating excitation events DF theory to hopping energy minima potential landscape (PEL). By reducing PEL an equal well picture applying harmonic approximation, we develop field describe elastic fluctuations about inherent states, which are minimizing configurations PEL. model shear transformation zone (STZ) inducing pure deformation onto state. connect STZs T1 transition that break bonds holding local formula for barrier, denoted $J_\sigma$, obtained function inherent-state moduli radial distribution function. The barrier current compared one predicted where good agreement found various two-dimensional continuous poly-disperse atomistic models glass formers. These results strengthen role elasticity driving glassy through creation relaxation excitations.

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ژورنال

عنوان ژورنال: Journal of Chemical Physics

سال: 2021

ISSN: ['1520-9032', '1089-7690', '0021-9606']

DOI: https://doi.org/10.1063/5.0056303