The case for a body-centered cubic phase (α′) for iron at inner core conditions

Matsui, Masanao; Anderson, Orson L.

doi:10.1016/s0031-9201(97)00020-4

Cited by 51 publications

(27 citation statements)

References 27 publications

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“…While it is premature to make definite conclusions about a high-pressure phase at 200 GPa, there appears to be some theoretical justification for the solidsolid phase boundary proposed by Brown and McQueen [1986], which they found by sound velocity measurements. There is a good possibility that both the c• • (bcc) phase proposed by Matsui and Anderson [1997] and the /3 (non-hcp) phase proposed by $axena et al [1993,1994,1995,1996 …”

Section: Recommended Value Of (330) For Iron and The Corementioning

confidence: 99%

Experimental melting curve of iron revisited

Anderson¹,

Duba²

1997

J. Geophys. Res.

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Section: Recommended Value Of (330) For Iron and The Corementioning

confidence: 99%

Experimental melting curve of iron revisited

Anderson¹,

Duba²

1997

J. Geophys. Res.

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“…Furthermore, high pressure shock experiments have also been interpreted as showing a high pressure solid-solid phase transformation (Brown and McQueen, 1986;Brown, 2001). It has been suggested that this transition could be due to the development of a bcc phase (Ross et al, 1990;Matsui and Anderson, 1997). Other experimentalists, however, have failed to detect such a post-hcp phase (e.g.…”

Section: Introductionmentioning

confidence: 99%

The stability of bcc-Fe at high pressures and temperatures with respect to tetragonal strain

Vočadlo

Wood

Gillan

et al. 2008

Physics of the Earth and Planetary Interiors

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This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. AbstractThe phase that iron adopts at the conditions of the Earth's inner core is still unknown. The two primary candidates are the hexagonal-close-packed (hcp) structure and the bodycentred-cubic (bcc) structure polymorphs. Until recently, the former was favoured, but it now seems possible that bcc iron could be present. A remaining uncertainty regarding the latter phase is whether or not bcc iron is stable with respect to tetragonal strain under core conditions. In this paper, therefore, we present the results of high precision ab initio free energy calculations at core pressures and temperatures performed on bcc iron as a function of tetragonal strain. Within the uncertainties of the calculations, direct comparison of free energy values suggests that bcc may be unstable with respect to tetragonal strain at 5500 K; this is confirmed when the associated stresses are taken into account. However, at 6000 K, the results indicate that the bcc phase becomes more stable, although it is unclear as to whether complete stability has been achieved. Nevertheless, it remains distinctly possible that the addition of light elements could stabilise this structure convincingly. Therefore, bcc-Fe cannot be ruled out as a candidate inner core phase.

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“…It was suggested, on the basis of non-empirical [6] molecular dynamics (MD) simulations, that under high pressure iron transforms on heating to the body-centered cubic (bcc) phase [7]. A number of IC properties can be explained within the paradigm of the bcc iron phase stability under the IC PT conditions, such as the low shear modulus [8,9] and elastic anisotropy [10]. However, computations performed by Vocadlo et al [11] have not confirmed the bcc stability.…”

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confidence: 99%