Research data for "Understanding phase transitions of α-quartz under dynamic compression conditions by machine-learning driven atomistic simulations"
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下载链接：
https://zenodo.org/record/11184489
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资源简介：
This dataset supports the paper "Understanding phase transitions of α-quartz under dynamic compression conditions by machine-learning driven atomistic simulations". The paper is online here:
The following files are provided:
Input files for the shock simulation as well as a number of snapshots from this shock simulation
Final structures of the strain diagram from different supercell sizes
Snapshot files from the SS-NEB calculations
创建时间：
2025-02-26
