Understanding the fragile-to-strong transition in silica from microscopic dynamics

Autor:	Zheng Yu, Dane Morgan, M. D. Ediger, Bu Wang
Jazyk:	angličtina
Rok vydání:	2022
Předmět:	Condensed Matter - Materials Science General Physics and Astronomy Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences Disordered Systems and Neural Networks (cond-mat.dis-nn) Condensed Matter - Disordered Systems and Neural Networks
Popis:	In this work, we revisit the fragile-to-strong transition (FTS) in the simulated BKS silica from the perspective of microscopic dynamics in an effort to elucidate the dynamical behaviors of fragile and strong glass-forming liquids. Softness, which is a machine-learned feature from local atomic structures, is used to predict the microscopic activation energetics and long-term dynamics. The FTS is found to originate from a change in the temperature dependence of the microscopic activation energetics. Furthermore, results suggest there are two diffusion channels with different energy barriers in BKS silica. The fast dynamics at high temperatures is dominated by the channel with small energy barriers ($ 9 pages, 5 figures, additional 6 pages of supplementary materials
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd3efc07854bf8d2e2fd11d49d4f353d http://arxiv.org/abs/2202.11000 Zobrazit plný text záznamu