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| Main Authors: | , , , |
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| Format: | Preprint |
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2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2507.21323 |
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| _version_ | 1866911081508634624 |
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| author | Zhou, Yang Eltareb, Ali Lopez, Gustavo E. Giovambattista, Nicolas |
| author_facet | Zhou, Yang Eltareb, Ali Lopez, Gustavo E. Giovambattista, Nicolas |
| contents | As a liquid approaches the glass state, its dynamics slows down rapidly, by a few orders of magnitude in a very small temperature range. In the case of light elements and small molecules containing hydrogen (e.g., water), such a process can be affected by nuclear quantum effects (due to quantum fluctuations/atoms delocalization). In this work, we apply the potential energy landscape (PEL) formalism and path-integral computer simulations to study the low-temperature behavior of a Lennard-Jones binary mixture (LJBM) that obeys quantum mechanics. We show that, as for the case of classical liquids, (i) a configurational entropy $S_{IS}$ can be defined, and (ii) the Adam-Gibbs equation, which relates the diffusion coefficient of a liquid and its $S_{IS}$, holds for the studied quantum LJBM. Overall, our work shows that one theoretical approach, the PEL formalism, can be used to describe low-temperature liquids close to their glass transition, independently of whether the system obeys classical or quantum mechanics. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2507_21323 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Configurational Entropy and Adam-Gibbs Relation for Quantum Liquids Zhou, Yang Eltareb, Ali Lopez, Gustavo E. Giovambattista, Nicolas Soft Condensed Matter As a liquid approaches the glass state, its dynamics slows down rapidly, by a few orders of magnitude in a very small temperature range. In the case of light elements and small molecules containing hydrogen (e.g., water), such a process can be affected by nuclear quantum effects (due to quantum fluctuations/atoms delocalization). In this work, we apply the potential energy landscape (PEL) formalism and path-integral computer simulations to study the low-temperature behavior of a Lennard-Jones binary mixture (LJBM) that obeys quantum mechanics. We show that, as for the case of classical liquids, (i) a configurational entropy $S_{IS}$ can be defined, and (ii) the Adam-Gibbs equation, which relates the diffusion coefficient of a liquid and its $S_{IS}$, holds for the studied quantum LJBM. Overall, our work shows that one theoretical approach, the PEL formalism, can be used to describe low-temperature liquids close to their glass transition, independently of whether the system obeys classical or quantum mechanics. |
| title | Configurational Entropy and Adam-Gibbs Relation for Quantum Liquids |
| topic | Soft Condensed Matter |
| url | https://arxiv.org/abs/2507.21323 |