Fe~(2+)取代对MgSiO_3钙钛矿高温高压物性的影响
Effect of substitution Fe~(2+) on physical properties of MgSiO_3 perovskite at high temperature and high pressure
查看参考文献66篇
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文摘
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(Mg, Fe)SiO_3钙钛矿是下地幔中最主要的候选矿物成分之一, 关于其高温高压特性的研究对于深层地幔状态的理解和地震波变化规律的探索具有重要意义. 应用第一性原理计算了MgSiO_3和(Mg_(0.75), Fe_(0.25))SiO_3在0-140 GPa静水压范围内的晶体结构和弹性模量, 并由Voigt-Reuss-Hill方程计算了地震波速随压力的变化, 利用准简谐近似下的Debye模型模拟了高温效应, 分析了Fe~(2+)取代Mg~(2+)后镁铁钙钛矿弹性和热学性质的变化, 推断Fe~(2+)取代行为软化了MgSiO_3等含镁的地球深部矿物的地震波速. 为解释地幔中某些区域的地震波速软化现象提供了一个有力的理论依据. |
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其他语种文摘
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(Mg, Fe)SiO_3-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 MgSiO_3 and (Mg_(0.75), Fe_(0.25))SiO_3 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 Fe~(2+) on the thermoelastic property for silicate perovskite is discussed. Substitution of Fe~(2+) for Mg~(2+) 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. |
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来源
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物理学报
,2013,62(4):049101-1-049101-10 【核心库】
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DOI
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10.7498/aps.62.049101
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关键词
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钙钛矿
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铁
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高压
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波速
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地址
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1.
沈阳航空航天大学理学院, 沈阳, 110136
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大连理工大学物理与光电工程学院,高科技研究院, 大连, 116024
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语种
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中文 |
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文献类型
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研究性论文 |
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ISSN
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1000-3290 |
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学科
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物理学 |
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基金
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国家自然科学基金
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文献收藏号
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CSCD:4766462
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