论文标题
Fe-和al-Al-Barearch Bridgmanite中的postperovskite转变:对地震可观察物的影响
The postperovskite transition in Fe- and Al-bearing bridgmanite: effects on seismic observables
论文作者
论文摘要
地球下地幔(Al,fe)含骨的主要阶段是在地球深地幔条件下过渡到postperovskite(PPV)阶段。尽管进行了广泛的实验和主张研究,但这种转换仍然需要澄清的重要方面。在这里,我们在(Al3+,Fe3+) - ,(Al3+) - ,(Fe2+) - 和(Fe3+) - 使用Ab ISTILE计算中轴承Bridgmanite中解决了此转变,并使用Ab ISTILE验证了我们的结果,并根据对类似组成的实验进行验证。与实验一致,我们的结果表明,两相区域的发作过渡压力和宽度明显取决于化学成分:A)Fe3+ - ,Al3+ - 或(Al3+,Fe3+) - 合金增加过渡压力,而Fe2+合金合金的效果相反; b)在没有共存阶段的情况下,PV-PPV过渡的压力深度范围似乎很广泛,导致急剧的D“不连续性(<30 km); c)两相区域的平均克拉皮氏斜率与先前的测量相一致,与MGSIO3中的计算相一致,并在Seismic数据中进行了较好的数据。我们的结果和实验之间的一致性使我们有信心在计算上进行不同组合物的聚集体进行过渡,这将是解决D“区域最可能的化学成分,这将是基础的。
The primary phase of the Earth's lower mantle, (Al, Fe)-bearing bridgmanite, transitions to the postperovskite (PPv) phase at Earth's deep mantle conditions. Despite extensive experimental and ab initio investigations, there are still important aspects of this transformation that need clarification. Here, we address this transition in (Al3+, Fe3+)-, (Al3+)-, (Fe2+)-, and (Fe3+)-bearing bridgmanite using ab initio calculations and validate our results against experiments on similar compositions. Consistent with experiments, our results show that the onset transition pressure and the width of the two-phase region depend distinctly on the chemical composition: a) Fe3+-, Al3+-, or (Al3+, Fe3+)-alloying increases the transition pressure, while Fe2+-alloying has the opposite effect; b) in the absence of coexisting phases, the pressure-depth range of the Pv-PPv transition seems quite broad to cause a sharp D" discontinuity (< 30 km); c) the average Clapeyron slope of the two-phase regions are consistent with previous measurements, calculations in MgSiO3, and inferences from seismic data. In addition, d) we observe a softening of the bulk modulus in the two-phase region. The consistency between our results and experiments gives us the confidence to proceed and examine this transition in aggregates with different compositions computationally, which will be fundamental for resolving the most likely chemical composition of the D" region by analyses of tomographic images.