Standard

Thermodynamics and Equations of State of Iron to 350 GPa and 6000 K. / Dorogokupets, P. I.; Dymshits, A. M.; Litasov, K. D. et al.

In: Scientific Reports, Vol. 7, 41863, 06.03.2017, p. 41863.

Research output: Contribution to journal › Article › peer-review

Harvard

Dorogokupets, PI, Dymshits, AM, Litasov, KD & Sokolova, TS 2017, 'Thermodynamics and Equations of State of Iron to 350 GPa and 6000 K', Scientific Reports, vol. 7, 41863, pp. 41863. https://doi.org/10.1038/srep41863

APA

Dorogokupets, P. I., Dymshits, A. M., Litasov, K. D., & Sokolova, T. S. (2017). Thermodynamics and Equations of State of Iron to 350 GPa and 6000 K. Scientific Reports, 7, 41863. [41863]. https://doi.org/10.1038/srep41863

Vancouver

Dorogokupets PI, Dymshits AM, Litasov KD, Sokolova TS. Thermodynamics and Equations of State of Iron to 350 GPa and 6000 K. Scientific Reports. 2017 Mar 6;7:41863. 41863. doi: 10.1038/srep41863

Author

Dorogokupets, P. I. ; Dymshits, A. M. ; Litasov, K. D. et al. / Thermodynamics and Equations of State of Iron to 350 GPa and 6000 K. In: Scientific Reports. 2017 ; Vol. 7. pp. 41863.

BibTeX

@article{ba7ffc7a66ff499ca67e559cb512322d,
title = "Thermodynamics and Equations of State of Iron to 350 GPa and 6000 K",
abstract = "The equations of state for solid (with bcc, fcc, and hcp structures) and liquid phases of Fe were defined via simultaneous optimization of the heat capacity, bulk moduli, thermal expansion, and volume at room and higher temperatures. The calculated triple points at the phase diagram have the following parameters: bcc-fcc-hcp is located at 7.3 GPa and 820 K, bcc-fcc-liquid at 5.2 GPa and 1998 K, and fcc-hcp-liquid at 106.5 GPa and 3787 K. At conditions near the fcc-hcp-liquid triple point, the Clapeyron slope of the fcc-liquid curve is dT/dP = 12.8 K/GPa while the slope of the hcp-liquid curve is higher (dT/dP = 13.7 K/GPa). Therefore, the hcp-liquid curve overlaps the metastable fcc-liquid curve at pressures of about 160 GPa. At high-pressure conditions, the metastable bcc-hcp curve is located inside the fcc-Fe or liquid stability field. The density, adiabatic bulk modulus and P-wave velocity of liquid Fe calculated up to 328.9 GPa at adiabatic temperature conditions started from 5882 K (outer/inner core boundary) were compared to the PREM seismological model. We determined the density deficit of hcp-Fe at the inner core boundary (T = 5882 K and P = 328.9 GPa) to be 4.4%.",
keywords = "CRYSTAL-STRUCTURE, EARTHS CORE, GRUNEISEN-PARAMETER, HIGH-PRESSURE IMPLICATIONS, MELTING CURVE, OF-STATE, PHASE-DIAGRAM, SOUND-VELOCITY, THERMAL-EXPANSION, X-RAY-DIFFRACTION",
author = "Dorogokupets, {P. I.} and Dymshits, {A. M.} and Litasov, {K. D.} and Sokolova, {T. S.}",
year = "2017",
month = mar,
day = "6",
doi = "10.1038/srep41863",
language = "English",
volume = "7",
pages = "41863",
journal = "Scientific Reports",
issn = "2045-2322",
publisher = "Nature Publishing Group",

}

RIS

TY - JOUR

T1 - Thermodynamics and Equations of State of Iron to 350 GPa and 6000 K

AU - Dorogokupets, P. I.

AU - Dymshits, A. M.

AU - Litasov, K. D.

AU - Sokolova, T. S.

PY - 2017/3/6

Y1 - 2017/3/6

N2 - The equations of state for solid (with bcc, fcc, and hcp structures) and liquid phases of Fe were defined via simultaneous optimization of the heat capacity, bulk moduli, thermal expansion, and volume at room and higher temperatures. The calculated triple points at the phase diagram have the following parameters: bcc-fcc-hcp is located at 7.3 GPa and 820 K, bcc-fcc-liquid at 5.2 GPa and 1998 K, and fcc-hcp-liquid at 106.5 GPa and 3787 K. At conditions near the fcc-hcp-liquid triple point, the Clapeyron slope of the fcc-liquid curve is dT/dP = 12.8 K/GPa while the slope of the hcp-liquid curve is higher (dT/dP = 13.7 K/GPa). Therefore, the hcp-liquid curve overlaps the metastable fcc-liquid curve at pressures of about 160 GPa. At high-pressure conditions, the metastable bcc-hcp curve is located inside the fcc-Fe or liquid stability field. The density, adiabatic bulk modulus and P-wave velocity of liquid Fe calculated up to 328.9 GPa at adiabatic temperature conditions started from 5882 K (outer/inner core boundary) were compared to the PREM seismological model. We determined the density deficit of hcp-Fe at the inner core boundary (T = 5882 K and P = 328.9 GPa) to be 4.4%.

AB - The equations of state for solid (with bcc, fcc, and hcp structures) and liquid phases of Fe were defined via simultaneous optimization of the heat capacity, bulk moduli, thermal expansion, and volume at room and higher temperatures. The calculated triple points at the phase diagram have the following parameters: bcc-fcc-hcp is located at 7.3 GPa and 820 K, bcc-fcc-liquid at 5.2 GPa and 1998 K, and fcc-hcp-liquid at 106.5 GPa and 3787 K. At conditions near the fcc-hcp-liquid triple point, the Clapeyron slope of the fcc-liquid curve is dT/dP = 12.8 K/GPa while the slope of the hcp-liquid curve is higher (dT/dP = 13.7 K/GPa). Therefore, the hcp-liquid curve overlaps the metastable fcc-liquid curve at pressures of about 160 GPa. At high-pressure conditions, the metastable bcc-hcp curve is located inside the fcc-Fe or liquid stability field. The density, adiabatic bulk modulus and P-wave velocity of liquid Fe calculated up to 328.9 GPa at adiabatic temperature conditions started from 5882 K (outer/inner core boundary) were compared to the PREM seismological model. We determined the density deficit of hcp-Fe at the inner core boundary (T = 5882 K and P = 328.9 GPa) to be 4.4%.

KW - CRYSTAL-STRUCTURE

KW - EARTHS CORE

KW - GRUNEISEN-PARAMETER

KW - HIGH-PRESSURE IMPLICATIONS

KW - MELTING CURVE

KW - OF-STATE

KW - PHASE-DIAGRAM

KW - SOUND-VELOCITY

KW - THERMAL-EXPANSION

KW - X-RAY-DIFFRACTION

UR - http://www.scopus.com/inward/record.url?scp=85014783779&partnerID=8YFLogxK

U2 - 10.1038/srep41863

DO - 10.1038/srep41863

M3 - Article

C2 - 28262683

AN - SCOPUS:85014783779

VL - 7

SP - 41863

JO - Scientific Reports

JF - Scientific Reports

SN - 2045-2322

M1 - 41863

ER -

ID: 10276089