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Effect of substitution Fe2+ on physical properties of MgSiO3 perovskite at high temperature and high pressure
Alternative TitleEffect of substitution Fe~(2+) on physical properties of MgSiO_3 perovskite at high temperature and high pressure
Wu Di1; Zhao JiJun2; Tian Hua2
2013
Source PublicationACTA PHYSICA SINICA
ISSN1000-3290
Volume62Issue:4
Abstract(Mg, Fe)SiO3-perovskite is currently considered to be the most abundant mineral in the earth's lower mantle. Its behavior at high temperature and high pressure is crucial for interpreting conditions at the deep level of the mantle, variations of seismic waves, and so on. Equilibrium crystal structures and mechanics properties of MgSiO3 and (Mg-0.75, Fe-0.25)SiO3 are determined using first-principles calculations in a series of hydrostatic pressures up to 140 GPa. Seismic wave velocity as a function of pressure is derived from the Voigt-Reuss-Hill scheme. Their thermodynamic quantities under the conditions of the lower mantle's pressures and temperatures are computed by means of the Debye model within the quasi-harmonic approximation. The substitution effect of Fe2+ on the thermoelastic property for silicate perovskite is discussed. Substitution of Fe2+ for Mg2+ can provoke softening wave velocity phenomenon arising from the minerals containing Mg element located in the earth interior. The present theoretical results are useful for interpreting seismic wave velocity softened in certain areas of the mantle.
KeywordLOWER-MANTLE PEROVSKITE HARMONIC DEBYE MODEL SPIN FERROUS IRON (MG,FE)SIO3 PEROVSKITE EARTHS MANTLE AB-INITIO THERMOELASTIC PROPERTIES MOLECULAR-DYNAMICS ELASTIC PROPERTIES CRYSTAL-STRUCTURE perovskite iron high pressure wave velocity
Indexed ByCSCD
Language英语
Funding Project[National Natural Science Foundation of China]
CSCD IDCSCD:4766462
Citation statistics
Cited Times:2[CSCD]   [CSCD Record]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/147593
Collection中国科学院金属研究所
Affiliation1.中国科学院金属研究所
2.大连大学
Recommended Citation
GB/T 7714
Wu Di,Zhao JiJun,Tian Hua. Effect of substitution Fe2+ on physical properties of MgSiO3 perovskite at high temperature and high pressure[J]. ACTA PHYSICA SINICA,2013,62(4).
APA Wu Di,Zhao JiJun,&Tian Hua.(2013).Effect of substitution Fe2+ on physical properties of MgSiO3 perovskite at high temperature and high pressure.ACTA PHYSICA SINICA,62(4).
MLA Wu Di,et al."Effect of substitution Fe2+ on physical properties of MgSiO3 perovskite at high temperature and high pressure".ACTA PHYSICA SINICA 62.4(2013).
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