https://doi.org/10.1140/epje/s10189-026-00562-2
Research – Flowing Matter
A molecular dynamics simulation of thermalization of crystalline lattice with harmonic interaction
School of Physics and Astronomy, and Institute of Natural Sciences, Shanghai Jiao Tong University, 200240, Shanghai, China
a
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Received:
10
November
2025
Accepted:
21
January
2026
Published online:
14
February
2026
Abstract
Understanding the realization of thermal equilibrium through the thermalization process in a many-body system is a fundamental and complex scientific question, bridging thermodynamics and classical dynamics and connecting to a host of physical phenomena, such as mechanical instabilities in a thermal environment. In this work, based on the harmonic lattice model, we investigate the thermalization process in both velocity and coordinate spaces, by examining microscopic dynamics on the atomic level. We show the distinct relaxation rates of the transverse and longitudinal components of the velocity, reveal the power law governing the nonlinear proliferation of dominant frequencies, and observe the concurrent rapid proliferations of frequencies and topological defects. We also show that the lattice system’s persistent out-of-plane deformations exhibit two-stage fluctuation behaviors, characterized by distinct power laws of fractional exponents and associated with the broken up-down symmetry. This work demonstrates the rich dynamics underlying the thermalization process and advances our understanding on the dynamical adaptations of many-body systems to external disturbances.
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© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2026
Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
