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1. Density of Fe‐Ni‐C Liquids at High Pressures and Implications for Liquid Cores of Earth and the Moon

   https://doi.org/10.1029/2020JB021089  

   Zhu, Feng; Lai, Xiaojing; Wang, Jianwei; Amulele, George; Kono, Yoshio; Shen, Guoyin; Jing, Zhicheng; Manghnani, Murli H.; Williams, Quentin; Chen, Bin (March 2021, Journal of Geophysical Research: Solid Earth)

   Abstract The presence of light elements in the metallic cores of the Earth, the Moon, and other rocky planetary bodies has been widely proposed. Carbon is among the top candidates in light of its high cosmic abundance, siderophile nature, and ubiquity in iron meteorites. It is, however, still controversial whether carbon‐rich core compositional models can account for the seismic velocity observations within the Earth and lunar cores. Here, we report the density and elasticity of Fe₉₀Ni₁₀‐3 wt.% C and Fe₉₀Ni₁₀‐5 wt.% C liquid alloys using synchrotron‐based X‐ray absorption experiments and first‐principles molecular dynamics simulations. Our results show that alloying of 3 wt.% and 5 wt.% C lowers the density of Fe₉₀Ni₁₀liquid by ∼2.9–3.1% at 2 GPa, and ∼3.4–3.6% at 9 GPa. More intriguingly, our experiments and simulations both demonstrate that the bulk moduli of the Fe‐Ni‐C liquids are similar to or slightly higher than those of Fe‐Ni liquids. Thus, the calculated compressional velocities (v_p) of Fe‐Ni‐C liquids are higher than that of pure Fe‐Ni alloy, promoting carbon as a possible candidate to explain the elevatedv_pin the Earth's outer core. However, the values and slopes of both density andv_pof the studied two Fe‐Ni‐C liquids do not match the outer core seismic models, suggesting that carbon may not be the sole principal light element in Earth's outer core. The highv_pof Fe‐Ni‐C liquids does not match the presumptivev_pof the lunar outer core well, indicating that carbon is less likely to be its dominant light element. 

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2. Nitrogen Content in the Earth’s Outer Core

   https://doi.org/https://doi.org/10.1029/ 2018GL080555  

   Bajgain, Suraj K.; Mookherjee, Mainak; Dasgupta, Rajdeep; Ghosh, Dipta B.; Karki, Bijaya B. (January 2019, Geophysical research letters)

   Using first principles molecular dynamic simulations, we explore the effects of nitrogen (N) on the density and sound velocity of liquid iron and evaluate its potential as a light element in the Earth’s outer core. Our results suggest that Fe-N melt cannot simultaneously explain the density and seismic velocity of the Earth’s outer core. Although ~2.0 wt.% N can explain the bulk sound velocity of the outer core, such N content only lowers the density of liquid Fe by ~3%. Matching both the velocity and density by the other light elements limits the N in the core to ≪2.0 wt.%. Our finding suggests that nitrogen is a minor to trace element in the Earth’s core and is consistent with the geochemical mass balance with terrestrial abundance of N and alloy-silicate partitioning data, which suggest that there cannot be significant N in the core. 

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3. Iron Bonding with Light Elements: Implications for Planetary Cores Beyond the Binary System

   https://doi.org/10.3390/cryst14121016  

   Yang, Hong; Wang, Wenzhong; Mao, Wendy L (December 2024, Crystals)

   Light element alloying in iron is required to explain density deficit and seismic wave velocities in Earth’s core. However, the light element composition of the Earth’s core seems hard to constrain as nearly all light element alloying would reduce the density and sound velocity (elastic moduli). The alloying light elements include oxidizing elements like oxygen and sulfur and reducing elements like hydrogen and carbon, yet their chemical effects in the alloy system are less discussed. Moreover, Fe-X-ray Absorption Near Edge Structure (Fe-XANES) fingerprints have been studied for silicate materials with ferrous and ferric ions, while not many X-ray absorption spectroscopy (XAS) studies have focused on iron alloys, especially at high pressures. To investigate the bonding nature of iron alloys in planetary interiors, we presented X-ray absorption spectroscopy of iron–nitrogen and iron–carbon alloys at high pressures up to 50 GPa. Together with existing literature on iron–carbon, –hydrogen alloys, we analyzed their edge positions and found no significant difference in the degree of oxidation among these alloys. Pressure effects on edge positions were also found negligible. Our theoretical simulation of the valence state of iron, alloyed with S, C, O, N, and P also showed nearly unchanged behavior under pressures up to 300 GPa. This finding indicates that the high pressure bonding of iron alloyed with light elements closely resembles bonding at the ambient conditions. We suggest that the chemical properties of light elements constrain which ones can coexist within iron alloys. 

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4. Effect of Carbon on the Volume of Solid Iron at High Pressure: Implications for Carbon Substitution in Iron Structures and Carbon Content in the Earth’s Inner Core

   https://doi.org/10.3390/min9120720  

   Yang, Jing; Fei, Yingwei; Hu, Xiaojun; Greenberg, Eran; Prakapenka, Vitali B. (December 2019, Minerals)

   null (Ed.)

   Understanding the effect of carbon on the density of hcp (hexagonal-close-packed) Fe-C alloys is essential for modeling the carbon content in the Earth’s inner core. Previous studies have focused on the equations of state of iron carbides that may not be applicable to the solid inner core that may incorporate carbon as dissolved carbon in metallic iron. Carbon substitution in hcp-Fe and its effect on the density have never been experimentally studied. We investigated the compression behavior of Fe-C alloys with 0.31 and 1.37 wt % carbon, along with pure iron as a reference, by in-situ X-ray diffraction measurements up to 135 GPa for pure Fe, and 87 GPa for Fe-0.31C and 109 GPa for Fe-1.37C. The results show that the incorporation of carbon in hcp-Fe leads to the expansion of the lattice, contrary to the known effect in body-centered cubic (bcc)-Fe, suggesting a change in the substitution mechanism or local environment. The data on axial compressibility suggest that increasing carbon content could enhance seismic anisotropy in the Earth’s inner core. The new thermoelastic parameters allow us to develop a thermoelastic model to estimate the carbon content in the inner core when carbon is incorporated as dissolved carbon hcp-Fe. The required carbon contents to explain the density deficit of Earth’s inner core are 1.30 and 0.43 wt % at inner core boundary temperatures of 5000 K and 7000 K, respectively. 

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5. Thermoelastic Anomaly of Iron Carbonitride Across the Spin Transition and Implications for Planetary Cores

   https://doi.org/10.1029/2024GL108973  

   Huang, Shengxuan; Wu, Xiang; Chariton, Stella; Prakapenka, Vitali; Qin, Shan; Chen, Bin (August 2024, Geophysical Research Letters)

   Abstract Carbon and nitrogen are considered as candidate light elements present in planetary cores. However, there is limited understanding regarding the structure and physical properties of Fe‐C‐N alloys under extreme conditions. Here diamond anvil cell experiments were conducted, revealing the stability of hexagonal‐structured Fe₇(N_0.75C_0.25)₃up to 120 GPa and 2100 K, without undergoing any structural transformation or dissociation. Notably, the thermal expansion coefficient and Grüneisen parameter of the alloy exhibit a collapse at 55–70 GPa. First‐principles calculations suggest that such anomaly is associated with the spin transition of iron within Fe₇(N_0.75C_0.25)₃. Our modeling indicates that the presence of ∼1.0 wt% carbon and nitrogen in liquid iron contributes to 9–12% of the density deficit of the Earth's outer core. The thermoelastic anomaly of the Fe‐C‐N alloy across the spin transition is likely to affect the density and seismic velocity profiles of (C,N)‐rich planetary cores, thereby influencing the dynamics of such cores. 

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