scholarly journals Ab Initio Thermoelasticity of Liquid Iron-Nickel-Light Element Alloys

Minerals ◽  
2020 ◽  
Vol 10 (1) ◽  
pp. 59 ◽  
Author(s):  
Hiroki Ichikawa ◽  
Taku Tsuchiya

The earth’s core is thought to be composed of Fe-Ni alloy including substantially large amounts of light elements. Although oxygen, silicon, carbon, nitrogen, sulfur, and hydrogen have been proposed as candidates for the light elements, little is known about the amount and the species so far, primarily because of the difficulties in measurements of liquid properties under the outer core pressure and temperature condition. Here, we carry out massive ab initio computations of liquid Fe-Ni-light element alloys with various compositions under the whole outer core P, T condition in order to quantitatively evaluate their thermoelasticity. Calculated results indicate that Si and S have larger effects on the density of liquid iron than O and H, but the seismological reference values of the outer core can be reproduced simultaneously by any light elements except for C. In order to place further constraints on the outer core chemistry, other information, in particular melting phase relations of iron light elements alloys at the inner core-outer core boundary, are necessary. The optimized best-fit compositions demonstrate that the major element composition of the bulk earth is expected to be CI chondritic for the Si-rich core with the pyrolytic mantle or for the Si-poor core and the (Mg,Fe)SiO3-dominant mantle. But the H-rich core likely causes a distinct Fe depletion for the bulk Earth composition.

1997 ◽  
Vol 499 ◽  
Author(s):  
George Q. Chen ◽  
Thomas J. Ahrens

ABSTRACTShock-wave experiments on pure iron preheated to 1573 K were conducted in the 17–73 GPa range. The shock-wave equation of state of γ-iron at an initial temperature of 1573 K can be fit with us = 4.102 (0.015) km/s + 1.610(0.014) up with ρo = 7.413±0.012 Mg/m3 We obtain for γ-iron's bulk modulus and pressure derivative the values: 124.7±1.1 GPa and 5.44±0.06, respectively.We present new data for sound velocities in the γ- and liquid-phases. In the γ-phase, to a first approximation, the longitudinal sound velocity is linear with respect to density: Vp = −3.13 (0.72) + 1.119(0.084) p(units for Vp and p are km/s and Mg/m3, respectively). Melting was observed in the highest pressure (about 70–73 GPa) experiments at a calculated shock temperature of 2775±160 K. This result is consistent with a previously calculated melting curve (for ε-iron) which is close to those measured by Boehler [1] and Saxena et al. [2]. The liquid iron sound velocity data yields a Grüneisen parameter value of 1.63±0.28 at 9.37±0.02 Mg/m3 at 71.6 GPa. The quantity γρ is 15.2±2.6 Mg/m3, which agrees with the uncertainty bounds of Brown and McQueen [3] (13.3–19.6 Mg/m3). Based on upward pressure and temperature extrapolation of the melting curve of γ-iron, the estimated inner core-outer core boundary temperature is 5500±400 K, the temperature at the core-mantle boundary on the outer core side is 3930±630 K.


2020 ◽  
Vol 105 (9) ◽  
pp. 1349-1354
Author(s):  
Jie Fu ◽  
Lingzhi Cao ◽  
Xiangmei Duan ◽  
Anatoly B. Belonoshko

Abstract Pressure-temperature-volume (P-T-V) data on liquid iron-sulfur (Fe-S) alloys at the Earth's outer core conditions (~136 to 330 GPa, ~4000 to 7000 K) have been obtained by first-principles molecular dynamics simulations. We developed a thermal equation of state (EoS) composed of Murnaghan and Mie-Grüneisen-Debye expressions for liquid Fe-S alloys. The density and sound velocity are calculated and compared with Preliminary Reference Earth Model (PREM) to constrain the S concentration in the outer core. Since the temperature at the inner core boundary (TICB) has not been measured precisely (4850~7100 K), we deduce that the S concentration ranges from 10~14 wt% assuming S is the only light element. Our results also show that Fe-S alloys cannot satisfy the seismological density and sound velocity simultaneously and thus S element is not the only light element. Considering the geophysical and geochemical constraints, we propose that the outer core contains no more than 3.5 wt% S, 2.5 wt% O, or 3.8 wt% Si. In addition, the developed thermal EoS can be utilized to calculate the thermal properties of liquid Fe-S alloys, which may serve as the fundamental parameters to model the Earth's outer core.


2021 ◽  
Vol 2 (1) ◽  
Author(s):  
Suraj K. Bajgain ◽  
Mainak Mookherjee ◽  
Rajdeep Dasgupta

AbstractEvaluating carbon’s candidacy as a light element in the Earth’s core is critical to constrain the budget and planet-scale distribution of this life-essential element. Here we use first principles molecular dynamics simulations to estimate the density and compressional wave velocity of liquid iron-carbon alloys with ~4-9 wt.% carbon at 0-360 gigapascals and 4000-7000 kelvin. We find that for an iron-carbon binary system, ~1-4 wt.% carbon can explain seismological compressional wave velocities. However, this is incompatible with the ~5-7 wt.% carbon that we find is required to explain the core’s density deficit. When we consider a ternary system including iron, carbon and another light element combined with additional constraints from iron meteorites and the density discontinuity at the inner-core boundary, we find that a carbon content of the outer core of 0.3-2.0 wt.%, is able to satisfy both properties. This could make the outer core the largest reservoir of terrestrial carbon.


1973 ◽  
Vol 63 (3) ◽  
pp. 1073-1105 ◽  
Author(s):  
Anthony Qamar

abstract Travel times and amplitudes of PKP and PKKP from three earthquakes and four underground nuclear explosions are presented. Observations of reflected core waves at nearly normal angles of incidence provide new constraints on the average velocities in the inner and outer core. Interpretation of these data suggests that several small but significant changes to Bolt's (1962) core velocity model (T2) are necessary. A revised velocity model KOR5 is given together with the derived travel times that are consistent with the 1968 tables for P. Model KOR5 possesses a velocity in the transition zone which is 112 per cent lower than that in model T2. In addition, KOR5 has a velocity jump at the transition zone boundary (r = 1782 km) of 0.013 km/sec and a jump at the inner core boundary (r = 1213 km) of 0.6 km/sec. These values are, respectively, 1/20 and 2/3 of the corresponding model T2 values.


2019 ◽  
Vol 104 (11) ◽  
pp. 1603-1607 ◽  
Author(s):  
Kenta Oka ◽  
Kei Hirose ◽  
Shoh Tagawa ◽  
Yuto Kidokoro ◽  
Yoichi Nakajima ◽  
...  

Abstract We performed melting experiments on Fe-O alloys up to 204 GPa and 3500 K in a diamond-anvil cell (DAC) and determined the liquidus phase relations in the Fe-FeO system based on textural and chemical characterizations of recovered samples. Liquid-liquid immiscibility was observed up to 29 GPa. Oxygen concentration in eutectic liquid increased from >8 wt% O at 44 GPa to 13 wt% at 204 GPa and is extrapolated to be about 15 wt% at the inner core boundary (ICB) conditions. These results support O-rich liquid core, although oxygen cannot be a single core light element. We estimated the range of possible liquid core compositions in Fe-O-Si-C-S and found that the upper bounds for silicon and carbon concentrations are constrained by the crystallization of dense inner core at the ICB.


2015 ◽  
Vol 7 (4) ◽  
pp. 3817-3841
Author(s):  
M. Yoshida

Abstract. An east-west hemispherically asymmetric structure for Earth's inner core has been suggested by various seismological evidence, but its origin is not clearly understood. Here, to investigate the possibility of an "endogenic origin" for the degree-one thermal/mechanical structure of the inner core, I performed new numerical simulations of thermal convection in the growing inner core. A setup value that controls the viscosity contrast between the inner core boundary and the interior of the inner core, ΔηT, was taken as a free parameter. Results show that the degree-one structure only appeared for a limited range of ΔηT; such a scenario may be possible but is not considered probable for the real Earth. The degree-one structure may have been realized by an "exogenous factor" due to the planetary-scale thermal coupling among the lower mantle, the outer core, and the inner core, not by an endogenic factor due to the internal rheological heterogeneity.


2007 ◽  
Vol 3 (S248) ◽  
pp. 374-378
Author(s):  
C. L. Huang

AbstractAt the IAU 26th GA held in Prague in 2006, a new precession model (P03) was recommended and adopted to replace the old one, IAU1976 precession model. This new P03 model is to match the IAU2000 nutation model that is for anelastic Earth model and was adopted in 2003 to replace the previous IAU1980 model. However, this IAU2000 nutation model is also not a perfect one for our complex Earth, as stated in the resolution of IAU nutation working group. The Earth models in the current nutation theories are idealized and too simple, far from the real one. They suffer from several geophysical factors: the an-elasticity of the mantle, the atmospheric loading and wind, the oceanic loading and current, the atmospheric and oceanic tides, the (lateral) heterogeneity of the mantle, the differential rotation between the inner core and the mantle, and various couplings between the fluid outer core and its neighboring solids (mantle and inner core). In this paper, first we give a very brief review of the current theoretical studies of non-rigid Earth nutation, and then focus on the couplings near the core-mantle boundary and the inner core-outer core boundary, including the electro-magnetic, viscous, topographic, and gravitational couplings. Finally, we outline some interesting future studies.


Crystals ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 359 ◽  
Author(s):  
Innocent C. Ezenwa ◽  
Richard A. Secco

The electrical resistivity and thermal conductivity behavior of Fe at core conditions are important for understanding planetary interior thermal evolution as well as characterizing the generation and sustainability of planetary dynamos. We discuss the electrical resistivity and thermal conductivity of Fe, Co, and Ni at the solid–liquid melting transition using experimental data from previous studies at 1 atm and at high pressures. With increasing pressure, the increasing difference in the change in resistivity of these metals on melting is interpreted as due to decreasing paramagnon-induced electronic scattering contribution to the total electronic scattering. At the melting transition of Fe, we show that the difference in the value of the thermal conductivity on the solid and liquid sides increases with increasing pressure. At a pure Fe inner core boundary of Mercury and Ganymede at ~5 GPa and ~9 GPa, respectively, our analyses suggest that the thermal conductivity of the solid inner core of small terrestrial planetary bodies should be higher than that of the liquid outer core. We found that the thermal conductivity difference on the solid and liquid sides of Mercury’s inner core boundary is ~2 W(mK)−1. This translates into an excess of total adiabatic heat flow of ~0.01–0.02 TW on the inner core side, depending on the relative size of inner and outer core. For a pure Fe Ganymede inner core, the difference in thermal conductivity is ~7 W(mK)−1, corresponding to an excess of total adiabatic heat flow of ~0.02 TW on the inner core side of the boundary. The mismatch in conducted heat across the solid and liquid sides of the inner core boundary in both planetary bodies appears to be insignificant in terms of generating thermal convection in their outer cores to power an internal dynamo suggesting that chemical composition is important.


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