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Ab initio calculations and high P-T experiments on iron, iron alloys and othe...

B2FIND2026-04-11 收录

地球核心物质模拟

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https://b2find.eudat.eu/dataset/3f03a309-a11e-5d17-8f0a-0dc3de5541c7 数据链接链接失效反馈

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The folder includes the elastic calculations for the hcp-Fe-Si-C alloy with the special quasirandom structure at Earth's core conditions (360 GPa and 6500 K). Elastic...

应用场景：

金属塑性变形

极端条件材料

This data was generated as a result of the study of the extreme plastic deformation of metal samples. This data was included in the paper "A model for extreme plasticity" published in Journal of the M

DataCite Commons2020-09-18 更新130

Structural and chemical characterization of small alloy an ceramic reaction products recovered from high pressures and temperatures

材料合成

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The experimental aims are to evaluate the crystal structure of new semiconducting alloys and ceramic nitrides. Our ambition is underpinned by our previous rewarding ID11 visit where we examined 35 sam

DataCite Commons2022-11-25 更新60

Electronic and atomic structures of iron oxalate at extreme conditions

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地球深部物质模拟

Iron(II)oxalate dihydrate has emerged as an important building block for the preparation of new, functional advanced materials. Despite the extensive investigation carried out over the years, almost n

ESRF Portal2025-01-01 更新30

Ab initio calculations and high P-T experiments on iron, iron alloys and other materials: hcp-Fe-Si-S-C elasticity 5500 K

地球物理模拟

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The folder includes the relaxation calculations for the hcp-Fe-Si-C alloy under NPT ensemble at 360 GPa and 5500 K. Ab initio molecular dynamics were performed by using the Vienna Ab initio Simulation

DataCite Commons2020-08-26 更新60

Structural investigation of silicate glasses at extreme conditions using soll...

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硅酸盐玻璃

Despite of more than 50 years of studying geologically relevant materials under high pressures and high temperatures major questions about the Earth’s interior are remaining....

B2FIND30

Ab initio calculations and high P-T experiments on iron, iron alloys and othe...

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