中国物理B ›› 2026, Vol. 35 ›› Issue (5): 56402-056402.doi: 10.1088/1674-1056/ae32ff

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A kinetic criterion for Stokes-Einstein relation breakdown based on effective collisional geometry

Zhen-Wei Wu(武振伟)†   

  1. Institute of Nonequilibrium Systems, School of Systems Science, Beijing Normal University, Beijing 100875, China
  • 收稿日期:2025-10-09 修回日期:2025-12-01 接受日期:2026-01-04 出版日期:2026-04-24 发布日期:2026-05-11
  • 通讯作者: Zhen-Wei Wu E-mail:zwwu@bnu.edu.cn
  • 基金资助:
    This work was supported by the National Natural Science Foundation of China (Grant Nos. 12474184, 52031016, and 11804027).

A kinetic criterion for Stokes-Einstein relation breakdown based on effective collisional geometry

Zhen-Wei Wu(武振伟)†   

  1. Institute of Nonequilibrium Systems, School of Systems Science, Beijing Normal University, Beijing 100875, China
  • Received:2025-10-09 Revised:2025-12-01 Accepted:2026-01-04 Online:2026-04-24 Published:2026-05-11
  • Contact: Zhen-Wei Wu E-mail:zwwu@bnu.edu.cn
  • Supported by:
    This work was supported by the National Natural Science Foundation of China (Grant Nos. 12474184, 52031016, and 11804027).

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摘要： We propose a kinetic framework for interpreting the Stokes-Einstein (SE) relation breakdown in supercooled liquids by introducing an effective collision diameter, $d_{\mathrm{eff}}$, derived from transport data. Numerical simulations of a model CuZr alloy reveal that $d_{\mathrm{eff}}$ increases upon cooling but saturates near the first peak of the radial distribution function just before SE breakdown. This saturation defines a geometric upper bound for the collisional cross-section beyond which further slowdown is governed by cooperative, heterogeneous motion rather than local collisional transport. Our analysis yields a compact criterion for SE breakdown in a mean-field perspective and provides physically interpretable inputs for future data-driven models of glassy dynamics.

关键词: metallic glass-forming liquids, transport decoupling, kinetic-geometric criterion

Abstract: We propose a kinetic framework for interpreting the Stokes-Einstein (SE) relation breakdown in supercooled liquids by introducing an effective collision diameter, $d_{\mathrm{eff}}$, derived from transport data. Numerical simulations of a model CuZr alloy reveal that $d_{\mathrm{eff}}$ increases upon cooling but saturates near the first peak of the radial distribution function just before SE breakdown. This saturation defines a geometric upper bound for the collisional cross-section beyond which further slowdown is governed by cooperative, heterogeneous motion rather than local collisional transport. Our analysis yields a compact criterion for SE breakdown in a mean-field perspective and provides physically interpretable inputs for future data-driven models of glassy dynamics.

Key words: metallic glass-forming liquids, transport decoupling, kinetic-geometric criterion

中图分类号:  (Metallic glasses)

  • 64.70.pe
67.10.Jn (Transport properties and hydrodynamics) 05.20.Dd (Kinetic theory)