Theoretical study of lithium diffusion and fractionation in the lattice of clinoenstatite, pyrope and spinel

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 the lattice of clinoenstatite, pyrope and spinel
	Jiang JiaJun 1,2; Liang GuangMing 1; Jin JiaJi 1; Zhang FeiWu 1,3,4
刊名	ACTA PETROLOGICA SINICA
	2018
卷号	34 期号:9 页码:2811-2818
关键词	Clinoenstatite Pyrope Spinel Li isotopes Diffusion fractionation Simulations
ISSN号	1000-0569
英文摘要	Clinoenstatite, pyrope and spinet, the important end members of pyroxene, garnet and spinet groups, are major mineral compositions in the upper mantle. Li isotopes are important tracer element in the mantle geochemistry, and its properties of diffusion and fractionation in the major mantle minerals are important for understanding Li isotopes as a tracer element of the mantle geochemistry. By performing the classical force field calculations at the atomic scale, we calculated the activation energies of the Li diffusion in the clinoenstatite, pyrope and spinet lattice via both interstitial and substitution mechanisms under the different pressures and temperatures; meanwhile, we have also calculated the effect of Li isotopes fractionations on various mineral lattice sites. The results suggest that the Li isotopes are migrating through the substitution mechanism in the clinoenstatite, pyrope and spinet lattice. The fractionation calculation of Li isotopes on the different lattice sites indicate that Li-7 is more likely incorporate on the interstitial sites while Li-6 prefers to move into Mg vacancies. The temperature is one of the key factors affecting the fractionation, and the corresponding results can be used to explain scientific issues such as Li isotopic composition in the mantle and the isotopic fractionation under the cooling conditions.
WOS关键词	ISOTOPE FRACTIONATION ; PERIDOTITE XENOLITHS ; TRACE-ELEMENTS ; LI ABUNDANCES ; MANTLE ; CONSTRAINTS ; SYSTEMATICS ; SUBDUCTION ; SIMULATION ; MODELS
WOS研究方向	Geology
语种	英语
出版者	SCIENCE PRESS
WOS记录号	WOS:000456917900019
内容类型	期刊论文
源URL	[http://ir.iggcas.ac.cn/handle/132A11/90539]
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 550002, Guizhou, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Suzhou Univ Sci & Technol, Sch Math & Phys, Suzhou 215009, Peoples R China 4.Chinese Acad Sci, Inst Geol & Geophys, Key Lab Earth & Planetary Phys, Beijing 100029, Peoples R China
推荐引用方式 GB/T 7714	Jiang JiaJun,Liang GuangMing,Jin JiaJi,et al. Theoretical study of lithium diffusion and fractionation in the lattice of clinoenstatite, pyrope and spinel[J]. ACTA PETROLOGICA SINICA,2018,34(9):2811-2818.
APA	Jiang JiaJun,Liang GuangMing,Jin JiaJi,&Zhang FeiWu.(2018).Theoretical study of lithium diffusion and fractionation in the lattice of clinoenstatite, pyrope and spinel.ACTA PETROLOGICA SINICA,34(9),2811-2818.
MLA	Jiang JiaJun,et al."Theoretical study of lithium diffusion and fractionation in the lattice of clinoenstatite, pyrope and spinel".ACTA PETROLOGICA SINICA 34.9(2018):2811-2818.