Molecular dynamics computation of the dynamical structure factor of a Lennard–Jones glass: Propagation of acoustic modes at the nm-scale

Vallés, Araceli; Derlet, P. M.; Crespo, Daniel; Pineda, Eloi

doi:10.1016/j.jallcom.2012.11.174

Cited by 3 publications

(1 citation statement)

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“…A suitable approach to exploring the dynamics of L-J crystals is by high-precision numerical integration of the equations of motion in combination with theoretical analysis of normal modes [38,39]. This approach allows us to explore the regime of large disturbance beyond the scope of harmonic analysis [39][40][41][42]. The L-J crystal system provides an opportunity to clarify a host of questions with broad implications, such as: Will the random disturbance lead to coherent dynamical states?…”

Section: Introductionmentioning

confidence: 99%

Collective dynamics and shattering of disturbed two-dimensional Lennard-Jones crystals

Yao

2023

Preprint

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Elucidating collective dynamics in crystalline systems is a common scientific question in multiple fields. In this work, by combination of high-precision numerical approach and analytical normal mode analysis, we systematically investigate the dynamical response of two-dimensional Lennard-Jones crystal as a purely classical mechanical system under random disturbance of varying strength, and reveal rich microscopic dynamics. Specifically, we observe highly symmetric velocity field composed of sharply divided coherent and disordered regions, and identify the order-disorder dynamical transition of the velocity field. Under stronger disturbance, we reveal the vacancy-driven shattering of the crystal. This featured disruption mode is fundamentally different from the dislocationunbinding scenario in two-dimensional melting. We also examine the healing dynamics associated with vacancies of varying size. The results in this work advance our understanding about the formation of collective dynamics and crystal disruption, and may have implications in elucidating relevant non-equilibrium behaviors in a host of crystalline systems.

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