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June 13, 2026Physica A Statistical Mechanics and its ApplicationsOpen Access

Dimensionality transition and enhanced diffusion of water channels between periodically modulated surfaces: Insights from molecular dynamics

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Authors

BMBruno H. S. MendonçaEMElizane E. de MoraesHCHélio Chacham

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Overview

Molecular dynamics reveals enhanced water diffusion due to dimensionality transitions in nanoconfined spaces.

Key Points

  • The aim is to understand how water transport changes between periodically modulated surfaces under different confinement geometries.
  • Conducted molecular dynamics simulations to analyze water transport.
  • Examined the effect of varying inter-surface separation on water diffusion.
  • Investigated the sensitivity of water diffusion to nanotube diameter and surface interaction.
  • Observed a transition from 2D to 1D water networks as inter-surface separation increased.
  • Found a tenfold increase in the self-diffusion coefficient when reducing nanotube diameter from 10 to 5 nm.
  • In 5 nm systems, diffusion coefficient surpasses bulk water values by 2.5 times.

Cite This Study

Mendonça et al. (2026) studied this question.

synapsesocial.com/papers/6a2cf3d6faef96ed7f0563d8https://doi.org/10.1016/j.physa.2026.131733
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