Shape anisotropy controls 2D melting pathway

The melting of two-dimensional systems is a fundamental challenge in condensed matter physics, where topological defects and thermal fluctuations play a key role. This work uses molecular dynamics simulations to investigate the melting of particles interacting via the Gay-Berne potential in the weak anisotropy regime (1.0 ≤ k ≤ 1.2). We demonstrate that the melting mechanism depends critically on the particle aspect ratio. For weak anisotropy (k < 1.15), the system follows a hybrid Bernard-Krauth scenario, featuring a continuous crystal-to-hexatic transition, followed by a first-order hexatic-to-isotropic liquid transition. At k ≥ 1.15, the system switches to the full Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young scenario with two continuous Berezinskii-Kosterlitz-Thouless transitions. Introducing binary mixtures of particles with different anisotropies suppresses the first-order transition, stabilizing the continuous melting pathway. Therefore, weak shape anisotropy serves as a fundamental switching parameter governing the universal melting behavior of two-dimensional systems.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2025-12-09
DOI
https://doi.org/10.1063/5.0299651
Primary Topic
Quantum many-body systems
Type
article
Field-Weighted Citation Impact
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article

Shape anisotropy controls 2D melting pathway

V. N. Ryzhov, A. V. Mikheyenkov, E. N. Tsiok, Yury D. Fomin
The Journal of Chemical Physics
Quantum many-body systems
article

Shape anisotropy controls 2D melting pathway

V. N. Ryzhov, A. V. Mikheyenkov, E. N. Tsiok, Yury D. Fomin
article en

Abstract

The melting of two-dimensional systems is a fundamental challenge in condensed matter physics, where topological defects and thermal fluctuations play a key role. This work uses molecular dynamics simulations to investigate the melting of particles interacting via the Gay-Berne potential in the weak anisotropy regime (1.0 ≤ k ≤ 1.2). We demonstrate that the melting mechanism depends critically on the particle aspect ratio. For weak anisotropy (k < 1.15), the system follows a hybrid Bernard-Krauth scenario, featuring a continuous crystal-to-hexatic transition, followed by a first-order hexatic-to-isotropic liquid transition. At k ≥ 1.15, the system switches to the full Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young scenario with two continuous Berezinskii-Kosterlitz-Thouless transitions. Introducing binary mixtures of particles with different anisotropies suppresses the first-order transition, stabilizing the continuous melting pathway. Therefore, weak shape anisotropy serves as a fundamental switching parameter governing the universal melting behavior of two-dimensional systems.

The Journal of Chemical PhysicsVol. 163(22)
Institute for High Pressure Physics (RU)
Openalex Percentile: Top 69%
Quantum many-body systems
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