Effect of substitution Fe2+ on physical properties of MgSiO3 perovskite at high temperature and high pressure

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	Effect of substitution Fe2+ on physical properties of MgSiO3 perovskite at high temperature and high pressure
其他题名	Effect of substitution Fe~(2+) on physical properties of MgSiO_3 perovskite at high temperature and high pressure
	Wu Di 1; Zhao JiJun 2; Tian Hua 2
	2013
发表期刊	ACTA PHYSICA SINICA
ISSN	1000-3290
卷号	62 期号:4
摘要	(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.
关键词	LOWER-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
收录类别	CSCD
语种	英语
资助项目	[National Natural Science Foundation of China]
CSCD记录号	CSCD:4766462
引用统计	被引频次：2[CSCD] [CSCD记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/147593
专题	中国科学院金属研究所
作者单位	1.中国科学院金属研究所 2.大连大学
推荐引用方式 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).