IGGCAS OpenIR  > 地球与行星物理院重点实验室
Theoretical study of lithium diffusion and fractionation in the lattice of clinoenstatite, pyrope and spinel
Jiang JiaJun1,2; Liang GuangMing1; Jin JiaJi1; Zhang FeiWu1,3,4
2018
Source PublicationACTA PETROLOGICA SINICA
ISSN1000-0569
Volume34Issue:9Pages:2811-2818
AbstractClinoenstatite, 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.
KeywordClinoenstatite Pyrope Spinel Li isotopes Diffusion fractionation Simulations
WOS KeywordISOTOPE FRACTIONATION ; PERIDOTITE XENOLITHS ; TRACE-ELEMENTS ; LI ABUNDANCES ; MANTLE ; CONSTRAINTS ; SYSTEMATICS ; SUBDUCTION ; SIMULATION ; MODELS
Language英语
WOS Research AreaGeology
WOS SubjectGeology
WOS IDWOS:000456917900019
PublisherSCIENCE PRESS
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Document Type期刊论文
Identifierhttp://ir.iggcas.ac.cn/handle/132A11/90539
Collection地球与行星物理院重点实验室
Corresponding AuthorZhang FeiWu
Affiliation1.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
Recommended Citation
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.
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