Liang Yuan

Liang Yuan
University of Bayreuth · Bavarian Research Institute of Experimental Geochemistry and Geophysics

Doctor of Philosophy

About

13
Publications
4,653
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181
Citations
Citations since 2017
13 Research Items
181 Citations
20172018201920202021202220230102030405060
20172018201920202021202220230102030405060
20172018201920202021202220230102030405060
20172018201920202021202220230102030405060
Introduction
I study the physics and chemistry of materials (e.g., silicates and metals) at high pressure and temperature to understand the internal composition, structure, and dynamics of the Earth.

Publications

Publications (13)
Article
Full-text available
Boron is considered a principal tracer for crustal recycling into the depleted mantle, and high boron anomalies and isotopically light boron in mantle-derived samples have been interpreted as the result of subduction. Using density functional theory, we predict that boron behavior changes from lithophile to siderophile, with the calculated boron pa...
Article
Full-text available
We use density functional theory-based molecular dynamics simulations to predict the partitioning behavior of helium (He) between coexisting metal and silicate melts at conditions of the magma ocean and the current core–mantle boundary. Helium strongly favors silicate over metal at low pressures and temperatures (10 GPa and 3000 K) but it becomes a...
Article
Changes in the bonding of carbon under high pressure leads to unusual crystal chemistry and can dramatically alter the properties of transition metal carbides. In this work, the new orthorhombic polymorph of yttrium carbide, γ−Y4C5, was synthesized from yttrium and paraffin oil in a laser-heated diamond anvil cell at ∼50 GPa. The structure of γ−Y4C...
Article
Full-text available
Water has a strong effect on silicate melt properties, yet its dissolution mechanism in depolymerized melts, typical for mantle composition, remains poorly understood. Here we report results of first‐principles molecular dynamics simulations of hydrous Mg2SiO4 melts with 6 wt%, 16 wt% and 27 wt% H2O at pressure and temperature conditions relevant t...
Article
Full-text available
We explore the partitioning behavior of hydrogen between coexisting metal and silicate melts at conditions of the magma ocean and the current core–mantle boundary with the help of density functional theory molecular dynamics. We perform simulations with the two‐phase and thermodynamic integration methods. We find that hydrogen is weakly siderophile...
Article
Full-text available
Iron(III) oxide-hydroxide, FeOOH, is abundant in the banded iron formations (BIFs). Recent studies indicate that BIFs may carry water down to the lower mantle with subducting slabs. The previous experiments investigating the properties of FeOOH at extreme pressures (P) and temperatures (T) were performed in diamond anvil cells (DACs), where it was...
Article
Full-text available
The Earth’s mantle is characterized by a sharp seismic discontinuity at a depth of 660 km that can provide insights into deep mantle processes. The discontinuity occurs over only 2 km—or a pressure difference of 0.1 GPa—and is thought to result from the post-spinel transition, that is, the decomposition of the mineral ringwoodite to bridgmanite plu...
Article
Full-text available
The stability of anhydrous phase B, Mg14Si5O24, has been determined in the pressure range of 14–21 GPa and the temperature range of 1100–1700 °C with both normal and reversal experiments using multi-anvil apparatus. Our results demonstrate that anhydrous phase B is stable at pressure–temperature conditions corresponding to the shallow depth region...
Article
Full-text available
The 660-km seismic discontinuity, which is a significant structure in the Earth's mantle, is generally interpreted as the post-spinel transition, as indicated by the decomposition of ringwoodite to bridgmanite + ferropericlase. All precise high-pressure and high-temperature experiments nevertheless report 0.5-2 GPa lower transition pressures than t...
Article
The roles of water in the mantle transition zone, lower mantle, and the core-mantle boundary are investigated. The evidence for a wet mantle transition zone has been suggested based on hydrous mineral inclusions in diamond. Seismic wave velocity and electrical conductivity profiles together with mineral physics data are consistent with existence of...
Article
Full-text available
We investigated the phase relations of the Fe-H2O system at high pressures based on in situ X-ray diffraction experiments and first-principles calculations and demonstrate that FeHx and FeO are present at pressures less than ~78 GPa. A recently reported pyrite-structured FeO2 was identified in the Fe-H2O system at pressures greater than ~78 GPa aft...

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