Molecular Dynamics Simulation Data for Ion Transport in Graphene Slits

3.2 GB of input files, trajectories, and analysis scripts supporting a study on ion transport in angstrom-scale graphene slits. The dataset, authored by Fan Feng and last updated in April 2026, likely contains simulation configurations, raw trajectory data, and processed results. It is shared under a CC-BY-4.0 license on figshare.

Use Cases

• Reproducing molecular dynamics simulations based on the provided input files and scripts.
• Analyzing ion trajectory data to study collective diffusion mechanisms.
• Validating the structural analysis of interfacial clustering presented in the associated manuscript.

Strengths

• Includes 3.2 GB of raw and processed data, providing substantial material for analysis.
• Contains multiple file formats (INP, LAMMPSTRJ, PY, etc.) covering the full simulation workflow from input to analysis.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

figshare

Collection Method

Generated via molecular dynamics simulations, likely using LAMMPS.

Time Range

null

Freshness

Last updated 2026-04-22 00:48:43; freshness should be verified.

Geography

null