ReaxFF Simulation Data for Cu-Si Glass Melt-Quenching and Tensile Deformation

ReaxFF molecular dynamics simulation setup and results for studying the melt-quenching and tensile deformation of copper-silicon glasses. The 1.0 GB dataset was authored by Shansi Liao and last updated on May 22, 2026. It includes files in formats like REAXFF, TXT, DUMP, DATA, IN, and SH.

Use Cases

• Study crack propagation mechanisms in metallic glasses based on the tensile deformation simulation results.
• Analyze the glass formation process based on the melt-quenching simulation data.
• Validate ReaxFF force field parameters for Cu-Si systems based on the provided simulation setup and outputs.
• Investigate the atomic-scale structural evolution during material failure based on the molecular dynamics trajectories.

Strengths

• Dataset size is 1.0 GB, indicating a substantial amount of simulation data.
• Data is licensed under CC-BY-4.0, permitting broad reuse with attribution.
• Includes both simulation setup files and results, providing a complete workflow.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Collection Method

ReaxFF molecular dynamics simulation.

Freshness

Last updated 2026-05-22 22:13:07; freshness should be verified.