Theoretical study of lithium diffusion and fractionation in forsterite and its high-pressure phases

doi:10.1007/s00269-019-01029-x

CORC > 地质与地球物理研究所 > 中国科学院地质与地球物理研究所 > 中国科学院地球与行星物理重点实验室

	Theoretical study of lithium diffusion and fractionation in forsterite and its high-pressure phases
	Jiang, Jiajun 1,2; Zhang, Feiwu 1,3; Yang, Hua 1,2; Yu, Tiancheng 4
刊名	PHYSICS AND CHEMISTRY OF MINERALS
	2019-07-01
卷号	46 期号:7 页码:663-673
关键词	Olivine Wadsleyite Ringwoodite Lithium Diffusion Fractionation Simulation
ISSN号	0342-1791
DOI	10.1007/s00269-019-01029-x
英文摘要	As a geochemical tracer in mantle studies, lithium isotopes play an important role in diffusion and fractionation in major mantle minerals. Olivine and its high-pressure phases, wadsleyite and ringwoodite, are considered to predominate in the upper mantle and transition zone on the earth. We carried out simulations of lithium isotopes' diffusion and fractionation in Mg end member olivine and its high-pressure phases to learn the details of the signatures of lithium isotopes preserved in mantle materials. In this work, the diffusion and fractionation mechanisms between different lattice sites of lithium isotopes in forsterite (Mg2SiO4), wadsleyite (-Mg2SiO4) and ringwoodite (-Mg2SiO4) at the atomic level are studied using empirical atomistic simulation techniques. It is found that Li can pass through the high-pressure phases (wadsleyite and ringwoodite) energetically much easier due to the low migration energy barriers via either substitutional or interstitial mechanism. The activation energy is high for Li diffusion along the interstitial path in the forsterite and decreases drastically with the assist of Mg vacancies. The temperature-dependent fractionation for two Li isotopes between two different lattice sites is calculated at the temperatures from 300 to 2500K. This behavior generates the lighter Li storage in the near-surface mantle-derived rocks and provides insights into zoning and composition of lithium isotopes in olivine and its high-pressure phases.
资助项目	Chinese Academy of Sciences (CAS) ; China National Thousand (Young) Talents plan ; National Natural Science Foundation of China[41773057]
WOS关键词	ISOTOPE FRACTIONATION ; COMPUTER-SIMULATION ; HIGH-TEMPERATURE ; LI ; CONSTRAINTS ; ABUNDANCES ; OLIVINE ; RINGWOODITE ; WADSLEYITE ; SUBDUCTION
WOS研究方向	Materials Science ; Mineralogy
语种	英语
出版者	SPRINGER
WOS记录号	WOS:000472227400002
资助机构	Chinese Academy of Sciences (CAS) ; Chinese Academy of Sciences (CAS) ; China National Thousand (Young) Talents plan ; China National Thousand (Young) Talents plan ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Chinese Academy of Sciences (CAS) ; Chinese Academy of Sciences (CAS) ; China National Thousand (Young) Talents plan ; China National Thousand (Young) Talents plan ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Chinese Academy of Sciences (CAS) ; Chinese Academy of Sciences (CAS) ; China National Thousand (Young) Talents plan ; China National Thousand (Young) Talents plan ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Chinese Academy of Sciences (CAS) ; Chinese Academy of Sciences (CAS) ; China National Thousand (Young) Talents plan ; China National Thousand (Young) Talents plan ; National Natural Science Foundation of China ; National Natural Science Foundation of China
内容类型	期刊论文
源URL	[http://ir.iggcas.ac.cn/handle/132A11/92513]
专题	地质与地球物理研究所_中国科学院地球与行星物理重点实验室
通讯作者	Zhang, Feiwu
作者单位	1.Chinese Acad Sci, Inst Geochem, State Key Lab Ore Deposit Geochem, Guiyang 550081, Guizhou, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Chinese Acad Sci, Inst Geol & Geophys, Key Lab Earth & Planetary Phys, Beijing 100029, Peoples R China 4.Suzhou Univ Sci & Technol, Sch Math & Phys, Suzhou 215009, Peoples R China
推荐引用方式 GB/T 7714	Jiang, Jiajun,Zhang, Feiwu,Yang, Hua,et al. Theoretical study of lithium diffusion and fractionation in forsterite and its high-pressure phases[J]. PHYSICS AND CHEMISTRY OF MINERALS,2019,46(7):663-673.
APA	Jiang, Jiajun,Zhang, Feiwu,Yang, Hua,&Yu, Tiancheng.(2019).Theoretical study of lithium diffusion and fractionation in forsterite and its high-pressure phases.PHYSICS AND CHEMISTRY OF MINERALS,46(7),663-673.
MLA	Jiang, Jiajun,et al."Theoretical study of lithium diffusion and fractionation in forsterite and its high-pressure phases".PHYSICS AND CHEMISTRY OF MINERALS 46.7(2019):663-673.