中国物理B ›› 2019, Vol. 28 ›› Issue (10): 106107-106107.doi: 10.1088/1674-1056/ab43bc
• SPECIAL TOPIC—Recent advances in thermoelectric materials and devices • 上一篇 下一篇
Andreas Hermann
收稿日期:
2019-07-23
修回日期:
2019-09-09
出版日期:
2019-10-05
发布日期:
2019-10-05
通讯作者:
Andreas Hermann
E-mail:a.hermann@ed.ac.uk
Andreas Hermann
Received:
2019-07-23
Revised:
2019-09-09
Online:
2019-10-05
Published:
2019-10-05
Contact:
Andreas Hermann
E-mail:a.hermann@ed.ac.uk
摘要: Many properties of planets such as their interior structure and thermal evolution depend on the high-pressure properties of their constituent materials. This paper reviews how crystal structure prediction methodology can help shed light on the transformations materials undergo at the extreme conditions inside planets. The discussion focuses on three areas:(i) the propensity of iron to form compounds with volatile elements at planetary core conditions (important to understand the chemical makeup of Earth's inner core), (ii) the chemistry of mixtures of planetary ices (relevant for the mantle regions of giant icy planets), and (iii) examples of mantle minerals. In all cases the abilities and current limitations of crystal structure prediction are discussed across a range of example studies.
中图分类号: (Crystallographic aspects of phase transformations; pressure effects)
Andreas Hermann. Geoscience material structures prediction via CALYPSO methodology[J]. 中国物理B, 2019, 28(10): 106107-106107.
Andreas Hermann. Geoscience material structures prediction via CALYPSO methodology[J]. Chin. Phys. B, 2019, 28(10): 106107-106107.
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