Data and Scripts for: Dimensionality transition and enhanced diffusion of water channels between periodically modulated surfaces: insights from molecular dynamics
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This dataset contains the input files and scripts needed to reproduce the Molecular Dynamics simulations presented in the article "Dimensionality transition and enhanced diffusion of water channels between periodically modulated surfaces: insights from molecular dynamics". The study investigates how water confined between surfaces of carbon nanotubes (CNTs) arranged in ribbon-like ("2D ribbon-like") arrangements transitions from a 2D network to 1D channels. To reproduce ALL the data, tables, and regimes (hydrophilic/hydrophobic) presented in the article, please refer to the README file. The README contains the step-by-step guide, the list of required .dat files, and a description of the system variables for each configuration.
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Zenodo创建时间:
2026-05-14



