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作者:

Liu, Lei (Liu, Lei.) | Yi, Li (Yi, Li.) | Liu, Hong (Liu, Hong.) | Li, Ying (Li, Ying.) | Zhuang, Chun-Qiang (Zhuang, Chun-Qiang.) (学者:庄春强) | Yang, Long-Xing (Yang, Long-Xing.) | Liu, Gui-Ping (Liu, Gui-Ping.)

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EI Scopus SCIE CSCD

摘要:

The structures and elasticities of phase B silicates with different water and iron (Fe) content are obtained by first-principles simulation to understand the effects of water and Fe on their properties under high pressure. The lattice constants a and b decrease with increasing water content. On the contrary, c increases with increasing water content. On the other hand, the b and c decrease with increasing Fe content while a increases with increasing Fe content. The decrease of M (metal)-O octahedral volume is greater than the decrease of SiO polyhedral volume over the same pressure range. The density, bulk modulus and shear modulus of phase B increase with increasing Fe content and decrease with increasing water content. The compressional wave velocity (V-p) and shear wave velocity (V-s) of phase B decrease with increasing water and Fe content. The comparisons of density and wave velocity between phase B silicate and the Earth typical structure provide the evidence for understanding the formation of the X-discontinuity zone of the mantle.

关键词:

structural and elastic properties phase B silicates high pressure first principles simulation

作者机构:

  • [ 1 ] [Liu, Lei]China Earthquake Adm, Inst Earthquake Sci, Key Lab Earthquake Predict, Beijing 100036, Peoples R China
  • [ 2 ] [Yi, Li]China Earthquake Adm, Inst Earthquake Sci, Key Lab Earthquake Predict, Beijing 100036, Peoples R China
  • [ 3 ] [Liu, Hong]China Earthquake Adm, Inst Earthquake Sci, Key Lab Earthquake Predict, Beijing 100036, Peoples R China
  • [ 4 ] [Li, Ying]China Earthquake Adm, Inst Earthquake Sci, Key Lab Earthquake Predict, Beijing 100036, Peoples R China
  • [ 5 ] [Yang, Long-Xing]China Earthquake Adm, Inst Earthquake Sci, Key Lab Earthquake Predict, Beijing 100036, Peoples R China
  • [ 6 ] [Liu, Gui-Ping]China Earthquake Adm, Inst Earthquake Sci, Key Lab Earthquake Predict, Beijing 100036, Peoples R China
  • [ 7 ] [Liu, Lei]Natl Key Lab Shock Wave & Detonat Phys, Mianyang 621000, Peoples R China
  • [ 8 ] [Li, Ying]Natl Key Lab Shock Wave & Detonat Phys, Mianyang 621000, Peoples R China
  • [ 9 ] [Zhuang, Chun-Qiang]Beijing Univ Technol, Inst Microstruct & Properties Adv Mat, Beijing 100124, Peoples R China

通讯作者信息:

  • [Liu, Lei]China Earthquake Adm, Inst Earthquake Sci, Key Lab Earthquake Predict, Beijing 100036, Peoples R China;;[Liu, Lei]Natl Key Lab Shock Wave & Detonat Phys, Mianyang 621000, Peoples R China

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来源 :

CHINESE PHYSICS B

ISSN: 1674-1056

年份: 2018

期: 4

卷: 27

1 . 7 0 0

JCR@2022

ESI学科: PHYSICS;

ESI高被引阀值:145

JCR分区:3

被引次数:

WoS核心集被引频次: 2

SCOPUS被引频次: 3

ESI高被引论文在榜: 0 展开所有

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中文被引频次:

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