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The miscibility of calcium silicate perovskite and bridgmanite: A single perovskite solid solution in hot, iron-rich regions
Earth and Planetary Science Letters ( IF 5.3 ) Pub Date : 2021-05-03 , DOI: 10.1016/j.epsl.2021.116973
Joshua M.R. Muir , Andrew R. Thomson , Feiwu Zhang

Calcium silicate perovskite and bridgmanite are two phases believed to coexist throughout the lower mantle, which at some temperature, at least theoretically, dissolve into each other to form a single perovskite solid solution (CaxMg1−xSiO3). This may have large seismic and geochemical implications due to the changes in density, elasticity and element partition coefficients between single and mixed phase perovskites. DFT Molecular Dynamics has been used to estimate the miscibility of bridgmanite and calcium perovskite at pressures between 25 and 125 GPa. At 125 GPa (where mixing is the greatest in our pressure range) to mix 1% of Ca-pv into bridgmanite requires a temperature of 2042 K, 5% 2588 K, 10% 2675 K and 50% 2743 K. Therefore, in a simplified lower mantle chemistry an extensive MgSiO3–CaSiO3 solid solution is not expected to occur. However, a simple model was employed to test whether the presence of other elements might influence this mutual solid solution and it was demonstrated that if sufficient concentrations (>1 at.%) of additional elements are present then miscibility may become favourable. Of the elements likely to be present at these concentrations it appears that ferrous iron promotes, whilst aluminium inhibits, a single-phase perovskite solid solution. To a lesser extent ferric iron may both increase and decrease perovskite miscibility. Modelling for realistic mantle compositions suggests that basaltic lithologies will always retain two perovskite components, whereas a single perovskite solid solution may be preferred in hot and/or iron-rich pyrolytic bulk compositions near the base of the lower mantle. Static calculations indicate perovskite miscibility may cause pyrolytic lithologies (with 12.5% CaSiO3) to possess lower density (−0.14–0.25%), Vs (−1.5–3.5%) and Vp (−0.5–1.2%), and higher VΦ (+ 0.00–0.75%) than predicted for assemblages containing two perovskites. These seismic changes, while preliminary, are similar to those observed in the LLSVPs which are also regions that are likely hotter than the surrounding mantle and thus possess conditions promoting the formation of a single perovskite phase.



中文翻译:

硅酸钙钙钛矿和水辉石的混溶性:钙铁矿固溶体在富铁的高温地区

硅酸钙钙钛矿和水辉石是两个共存于下地幔的两相,在一定温度下,至少在理论上,它们相互溶解形成钙钛矿固溶体(Ca x Mg 1- x SiO 3)。由于单相和混合钙钛矿之间的密度,弹性和元素分配系数的变化,这可能具有很大的地震和地球化学意义。DFT分子动力学已用于估计在25至125 GPa之间的压力下桥锰矿和钙钛矿钙的混溶性。在125 GPa(混合压力在我们的压力范围内最大)下,将1%Ca-pv混合成水辉石需要2042 K,5%2588 K,10%2675 K和50%2743 K的温度。简化下地幔化学广泛MgSiO 3 -CaSiO 3预计不会发生固溶。但是,使用一个简单的模型来测试其他元素的存在是否会影响这种相互固溶,并且证明了如果存在足够浓度(> 1 at。%)的其他元素,则混溶性可能会变得有利。在这些浓度下可能存在的元素中,似乎亚铁促进而铝抑制单相钙钛矿固溶体。在较小程度上,三价铁可能会同时增加和减少钙钛矿的混溶性。对实际地幔成分的建模表明,玄武岩岩性将始终保留两个钙钛矿成分,而在下地幔底部附近的热和/或富铁热解散装成分中,单一钙钛矿固溶体可能更可取。3)具有较低的密度(-0.14-0.25%),伏特s (−1.5–3.5%)和 伏特p (-0.5–1.2%)及更高 伏特Φ(+ 0.00–0.75%)比包含两个钙钛矿的组合的预测值高。这些地震变化虽然是初步的,但与在LLSVPs中所观察到的变化相似,它们也是可能比周围地幔更热的区域,因此具有促进单个钙钛矿相形成的条件。

更新日期:2021-05-03
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