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<p>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 <i>S</i><sub>IS</sub> can be defined, and (ii) the Adam-Gibbs equation, which relates the diffusion coefficient of a liquid and its <i>S</i><sub>IS</sub>, holds for the studied quantum LJBM. Overall, this study 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.</p>

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Configurational entropy and Adam-Gibbs relation for quantum liquids

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年4月9日

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  • Yang Zhou,
  • Ali Eltareb,
  • Gustavo E. Lopez,
  • Nicolas Giovambattista

摘要

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 SIS can be defined, and (ii) the Adam-Gibbs equation, which relates the diffusion coefficient of a liquid and its SIS, holds for the studied quantum LJBM. Overall, this study 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.