Stabilization of body-centred cubic iron under inner-core conditions
نویسندگان
چکیده
منابع مشابه
Stability of body-centered cubic iron-magnesium alloys in the Earth's inner core.
The composition and the structure of the Earth's solid inner core are still unknown. Iron is accepted to be the main component of the core. Lately, the body-centered cubic (bcc) phase of iron was suggested to be present in the inner core, although its stability at core conditions is still in discussion. The higher density of pure iron compared with that of the Earth's core indicates the presenc...
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Large scale molecular dynamics simulations of iron at high pressure and temperature are performed to investigate the physics of shear softening. A solid 16×10(6) atoms sample of iron is grown out of the liquid with a small solid immersed in it at the start of simulation. We observe that diffusion in the sheared solid is similar to that in liquid, even though at different time scales. This allow...
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In this paper we discuss both the crystallographic aspects that govern the general features of the cores of 1 2 h111i screw dislocations in bcc metals and the role of interatomic bonding that is specific to given materials. This analysis is carried out by comparing the results of two atomistic calculations of dislocations in molybdenum, one performed using many-body central force potentials and...
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The free energy and other thermodynamic properties of hexagonal-close-packed iron are calculated by direct ab initio methods over a wide range of pressures and temperatures relevant to the Earth’s core. The ab initio calculations are based on density-functional theory in the generalized-gradient approximation, and are performed using the projector augmented wave approach. Thermal excitation of ...
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ژورنال
عنوان ژورنال: Nature Geoscience
سال: 2017
ISSN: 1752-0894,1752-0908
DOI: 10.1038/ngeo2892