Mean-squared Energy Difference for Exploring Potential Energy Landscapes of Supercooled Liquids

Fuente: arXiv
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Autori principali: Zhang, Dianmo, Sun, Deyan, Gong, Xingao
Natura: Preprint
Pubblicazione: 2025
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author Zhang, Dianmo
Sun, Deyan
Gong, Xingao
author_facet Zhang, Dianmo
Sun, Deyan
Gong, Xingao
contents By extending the concept of diffusion to the potential energy landscapes (PELs), we introduce the mean-squared energy difference (MSED) as a novel quantity to investigate the intrinsic properties of glass. MSED can provide a clear description of the "energy relaxation" process on a PEL. Through MSED analysis, we can obtain characteristic timescale similar to those from structure analysis, namely $τ_α^*$. We establish a connection between MSED and the properties of PELs, providing a concise and quantitative description of the PEL. We find that the roughness of the accessible PEL has changed significantly after the glass transition. And we also find that one of the PEL parameters is closely related to the Adam-Gibbs configurational entropy. The present research, which directly links the PEL to the relaxation process, provides avenues for further research of the glass.
format Preprint
id arxiv_https___arxiv_org_abs_2501_07902
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Mean-squared Energy Difference for Exploring Potential Energy Landscapes of Supercooled Liquids
Zhang, Dianmo
Sun, Deyan
Gong, Xingao
Disordered Systems and Neural Networks
Computational Physics
By extending the concept of diffusion to the potential energy landscapes (PELs), we introduce the mean-squared energy difference (MSED) as a novel quantity to investigate the intrinsic properties of glass. MSED can provide a clear description of the "energy relaxation" process on a PEL. Through MSED analysis, we can obtain characteristic timescale similar to those from structure analysis, namely $τ_α^*$. We establish a connection between MSED and the properties of PELs, providing a concise and quantitative description of the PEL. We find that the roughness of the accessible PEL has changed significantly after the glass transition. And we also find that one of the PEL parameters is closely related to the Adam-Gibbs configurational entropy. The present research, which directly links the PEL to the relaxation process, provides avenues for further research of the glass.
title Mean-squared Energy Difference for Exploring Potential Energy Landscapes of Supercooled Liquids
topic Disordered Systems and Neural Networks
Computational Physics
url https://arxiv.org/abs/2501.07902