First principles investigation on the structure and vibrational properties of high pressure phase of olivine

橄榄石高压相结构与振动特性的第一性原理研究

• 批准号: 21740380
• 负责人: TSUCHIYA Jun
• 金额: $ 2.91万
• 依托单位: Ehime University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Young Scientists (B)
• 财政年份: 2009
• 资助国家: 日本
• 起止时间: 2009 至 2010
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-21740380/
• 关键词: 第一原理計算; 振動特性; カンラン石高圧相; マントル遷移層; 含水量; 高圧; 含水相

From high pressure experiments, it has been reported that high pressure phases of olivine, which are main mineral component of mantle transition zone (from 410 to 660 km depth), can retain plenty of hydrogen in their crystal structures. Therefore, there is a possibility that significant amount of water is transported and stored in these phases in the mantle transition zone by mantle convection. In order to investigate and clarify the structure and bonding state of hydrogen in the high pressure phases of olivine, we conducted first principles electronic structure calculation and calculated vibrational properties of these phases using high performance computers.

高压实验表明，地幔过渡带（410～660 km深度）的主要矿物成分橄榄石的高压相在其晶体结构中可以保留大量的氢。因此，在地幔过渡带的这些阶段中，有可能通过地幔对流输送和储存大量的水。为了研究和阐明橄榄石高压相中氢的结构和键合状态，我们利用高性能计算机进行了第一性原理电子结构计算并计算了这些相的振动特性。

项目成果

Perovskite and post perovskite phase relation in the MgSiO3-Al2O3 system

MgSiO3-Al2O3体系中钙钛矿和后钙钛矿相关系

• 发表时间: 2008
• 作者: 荻野 明久;Martin Kral;山下光司;永津雅章;J. Tsuchiya and T. Tsuchiya
• 通讯作者: J. Tsuchiya and T. Tsuchiya

Lost primordial continents

• DOI: 10.1016/j.gr.2009.05.012
• 发表时间: 2009-12
• 期刊: Gondwana Research
• 影响因子: 6.1
• 作者: K. Kawai;T. Tsuchiya;J. Tsuchiya;S. Maruyama