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Author:

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

Indexed by:

EI Scopus SCIE CSCD

Abstract:

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.

Keyword:

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

Author Community:

  • [ 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

Reprint Author's Address:

  • [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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Source :

CHINESE PHYSICS B

ISSN: 1674-1056

Year: 2018

Issue: 4

Volume: 27

1 . 7 0 0

JCR@2022

ESI Discipline: PHYSICS;

ESI HC Threshold:145

JCR Journal Grade:3

Cited Count:

WoS CC Cited Count: 2

SCOPUS Cited Count: 3

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 9

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