Ab initio calculations and high P-T experiments on iron, iron alloys and other materials: hcp-Fe-Si-S-C elasticity 2000 K
收藏Figshare2019-11-27 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Ab_initio_calculations_and_high_P-T_experiments_on_iron_iron_alloys_and_other_materials_hcp-Fe-Si-S-C_elasticity_2000_K/10763261
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资源简介：
The folder includes the relaxation calculations for the hcp-Fe-Si-C alloy under NPT ensemble at 360 GPa and 2000 K. Ab initio molecular dynamics were performed by using the Vienna Ab initio Simulation Package.
创建时间：
2019-11-27
