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The crystal structure of iron in the Earth's inner core remains debated. Most recent experiments suggest a hexagonal-close-packed (hcp) phase. In simulations, it has been generally agreed that the hcp-Fe is stable at inner core pressures…

地球物理 · 物理学 2018-04-17 Rostislav Hrubiak , Yue Meng , Guoyin Shen

The structure and stability of iron near melting at multi-megabar pressures are of significant interest in high pressure physics and earth and planetary sciences. While the body-centered cubic (BCC) phase is generally recognized as unstable…

材料科学 · 物理学 2025-06-27 Shuai Zhang , Aliza Panjwani , Penghao Xiao , Maitrayee Ghosh , Tadashi Ogitsu , Yuan Ping , S. X. Hu

We employ state-of-the-art ab initio simulations within the dynamical mean-field theory to study three likely phases of iron (hexogonal close-packed, hcp, face centered cubic, fcc, and body centered cubic, bcc) at the Earth's core…

强关联电子 · 物理学 2013-03-25 L. V. Pourovskii , T. Miyake , S. I. Simak , A. V. Ruban , L. Dubrovinsky , I. A. Abrikosov

There has been a long debate on the stable phase of iron under the Earth's inner core conditions. Because of the solid-liquid coexistence at the inner core boundary, the thermodynamic stability of solid phases directly relates to their…

Several important geophysical features such as heat flux at the Core-Mantle Boundary or geodynamo production are intimately related with the temperature profile in the Earth's core. However, measuring the melting curve of iron at conditions…

We present Gibbs free-energy phase diagrams for compressed iron within a pressure range of 20 to 300 GPa and electronic temperature up to 3 eV obtained using finite-temperature density functional and density functional perturbation…

材料科学 · 物理学 2025-11-07 S. Azadi , S. M. Vinko

Using the LCLS facility at the SLAC National Accelerator Laboratory, we have observed X-ray scattering from iron compressed with laser driven shocks to Earth-core like pressures above 400GPa. The data shows shots where melting is incomplete…

Metastable phases can lead to multistep nucleation processes, influencing the liquid-to-solid transition in various systems. In this study, we investigate the homogeneous nucleation of iron's crystalline phases under Earth's inner core…

地球物理 · 物理学 2025-04-04 Chen Gao , Kai-Ming Ho , Renata M. Wentzcovitch , Yang Sun

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…

地球物理 · 物理学 2024-09-24 Fulun Wu , Cai-Zhuang Wang , Kai-Ming Ho , Shunqing Wu , Renata M. Wentzcovitch , Yang Sun

Water is abundant in natural environments but the form it resides in planetary interiors remains uncertain. We report combined synchrotron X-ray diffraction and optical spectroscopy measurements of H2O in the laser-heated diamond anvil cell…

We combine nanosecond laser shock compression with \emph{in-situ} picosecond X-ray diffraction to provide structural data on iron up to 275 GPa. We constrain the extent of hcp-liquid coexistence, the onset of total melt, and the structure…

In order to study the performance of interatomic potentials and their reliability at higher pressures, the phase diagram of four different embedded-atom type potential models of iron is compared. The calculations were done by the nested…

材料科学 · 物理学 2018-03-23 Livia B. Partay

The electronic thermal conductivity of iron at Earth's core conditions is an extremely important physical property in geophysics field. However, the exact value of electronic thermal conductivity of iron under extreme pressure and…

材料科学 · 物理学 2019-01-28 Sheng-Ying Yue , Ming Hu

We investigate the basic thermal, mechanical and structural properties of body centred cubic iron ($\alpha$-Fe) at several temperatures and positive loading by means of Molecular Dynamics simulations in conjunction with the embedded-atom…

材料科学 · 物理学 2017-02-17 Kostadin G. Gaminchev

We report on a novel approach to dynamic compression of materials that bridges the gap between previous static- and dynamic- compression techniques, allowing to explore a wide range of pathways in the pressure-temperature space. By…

The Earth's core consists of a solid ball with a radius of 1221 Km, surrounded by a liquid shell which extends up to 3480 Km from the centre of the planet, roughly half way towards the surface (the mean radius of the Earth is 6373 km). The…

材料科学 · 物理学 2009-11-13 Dario Alfè

Earth's inner core exhibits an unusually high Poisson's ratio and noticeable elastic anisotropy. The mechanisms responsible for these features are critical for understanding the evolution of the Earth but remain unclear. This study…

地球物理 · 物理学 2016-11-02 Zhongqing Wu

We present theoretical results on the high-temperature phase stability and phonon spectra of paramagnetic bcc iron which explicitly take into account many-body effects. Several peculiarities, including a pronounced softening of the [110]…

We have studied the high-pressure iron bcc to hcp phase transition by simultaneous X-ray Magnetic Circular Dichroism (XMCD) and X-ray Absorption Spectroscopy (XAS) with an X-ray dispersive spectrometer. The combination of the two techniques…

其他凝聚态物理 · 物理学 2009-11-10 O. Mathon , F. Baudelet , J. P. Itie , A. Polian , M. D'Astuto , J. C. Chervin , S. Pascarelli

Cu is an ubiquitous material used in industry for its great thermal and electrical properties. Studying the high-pressure high temperature properties of copper (Cu) is relevant for nuclear fusion research as projectiles and flyers used in…

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