Zobrazeno 1 - 10
of 416
pro vyhledávání: '"Wentzcovitch, Renata M."'
Publikováno v:
Geoscience Frontiers 15, 101925 (2024)
Constraining the melting temperature of iron under Earth's inner core conditions is crucial for understanding core dynamics and planetary evolution. Here, we develop a deep potential (DP) model for iron that explicitly incorporates electronic entropy
Externí odkaz:
http://arxiv.org/abs/2404.17852
Publikováno v:
Geophys. Res. Lett. 51, e2023GL108012 (2024)
Davemaoite, i.e., $CaSiO_3$ perovskite (CaPv), is the third most abundant phase in the lower mantle and exhibits a tetragonal-cubic phase transition at high pressures and temperatures. The phase boundary in CaPv has recently been proposed to be close
Externí odkaz:
http://arxiv.org/abs/2401.14588
Probing the state of hydrogen in $\delta$-AlOOH at mantle conditions with machine learning potential
Publikováno v:
Phys. Rev. Res. 6 (2024) 013292
Hydrous and nominally anhydrous minerals (NAMs) are a fundamental class of solids of enormous significance to geophysics. They are the water carriers in the deep geological water cycle and impact structural, elastic, plastic, and thermodynamic proper
Externí odkaz:
http://arxiv.org/abs/2309.06712
Autor:
Sun, Yang, Mendelev, Mikhail I., Zhang, Feng, Liu, Xun, Da, Bo, Wang, Cai-Zhuang, Wentzcovitch, Renata M., Ho, Kai-Ming
Publikováno v:
Proc. Natl. Acad. Sci. U.S.A. 121, e2316477121 (2024)
Ni is the second most abundant element in the Earth's core. Yet, its effects on the inner core's structure and formation process are usually disregarded because of its electronic and size similarity with Fe. Using ab initio molecular dynamics simulat
Externí odkaz:
http://arxiv.org/abs/2308.04280
MgSiO_3-perovskite (MgPv) plays a crucial role in the Earth's lower mantle. This study combines deep-learning potential (DP) with density functional theory (DFT) to investigate the structural and elastic properties of MgPv under lower mantle conditio
Externí odkaz:
http://arxiv.org/abs/2307.07127
Autor:
Fang, Yimei, Sun, Yang, Wang, Renhai, Zheng, Feng, Zhang, Feng, Wu, Shunqing, Wang, Cai-Zhuang, Wentzcovitch, Renata M., Ho, Kai-Ming
Terrestrial exoplanets are of great interest for being simultaneously similar to and different from Earth. Their compositions are likely comparable to those of solar-terrestrial objects, but their internal pressures and temperatures can vary signific
Externí odkaz:
http://arxiv.org/abs/2307.03632
The quasi-harmonic approximation (QHA) is a powerful method that uses the volume dependence of non-interacting phonons to compute the free energy of materials at high pressures (P) and temperatures (T). However, anharmonicity, electronic excitations
Externí odkaz:
http://arxiv.org/abs/2303.11583
Using an artificial neural-network machine learning interatomic potential, we have performed molecular dynamics simulations to study the structure and dynamics of Fe90Si3O7 liquid close to the Earth's liquid core conditions. The simulation results re
Externí odkaz:
http://arxiv.org/abs/2303.03585
FeO is a crucial phase of the Earth's core, and its thermodynamic properties are essential to developing more accurate core models. It is also a notorious correlated insulator in the NaCl-type (B1) phase at ambient conditions. It undergoes two polymo
Externí odkaz:
http://arxiv.org/abs/2211.15052
At ambient pressure, bulk SrCoO$_{3}$ is a ferromagnetic (FM) metal in cubic perovskite structure. By contrast, magnetic properties of epitaxial SrCoO$_{3}$ thin films, especially at high tensile strain ($\varepsilon \gtrsim 3$\%), remain unclear: Pr
Externí odkaz:
http://arxiv.org/abs/2211.10404