Equation of state for ε-iron at high pressures and temperatures
Computations were performed using the facilities at the Swedish National Infrastructure for Computing (SNIC). Financial support from the Swedish Research Council (VR) is gratefully acknowledged.
Gespeichert in:
| Veröffentlicht in: | Condensed Matter Physics |
|---|---|
| Datum: | 2010 |
| 1. Verfasser: | |
| Format: | Artikel |
| Sprache: | Englisch |
| Veröffentlicht: |
Інститут фізики конденсованих систем НАН України
2010
|
| Online Zugang: | https://nasplib.isofts.kiev.ua/handle/123456789/32102 |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | The equation of state for hexagonal close packed (hcp or ε) phase of Fe at high pressure is created by employing molecular dynamics (MD) simulations in conjunction with the embedded atom method based on the full potential linear muffin tin orbital (FPLMTO) method. Comparison between the existing experimental data and our calculations suggests that the obtained equation of state can be reliably used for calculating iron volumetric properties under conditions appropriate for the Earth's core. We demonstrate that some experimental data on iron might be subjected to a systematic error. I suggest a model which describes the temperature dependence of the volume better than the Mie-Grüneisen equation. |
Institution
Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862535349760163840 |
|---|---|
| author | Belonoshko, A.B. |
| author_facet | Belonoshko, A.B. |
| citation_txt | The equation of state for hexagonal close packed (hcp or ε) phase of Fe at high pressure is created by employing molecular dynamics (MD) simulations in conjunction with the embedded atom method based on the full potential linear muffin tin orbital (FPLMTO) method. Comparison between the existing experimental data and our calculations suggests that the obtained equation of state can be reliably used for calculating iron volumetric properties under conditions appropriate for the Earth's core. We demonstrate that some experimental data on iron might be subjected to a systematic error. I suggest a model which describes the temperature dependence of the volume better than the Mie-Grüneisen equation. |
| collection | DSpace DC |
| container_title | Condensed Matter Physics |
| description | Computations were performed using the facilities at the Swedish National Infrastructure for Computing (SNIC). Financial support from the Swedish Research Council (VR) is gratefully acknowledged.
|
| first_indexed | 2025-11-24T09:38:44Z |
| format | Article |
| fulltext | |
| id | nasplib_isofts_kiev_ua-123456789-32102 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 1607-324X |
| language | English |
| last_indexed | 2025-11-24T09:38:44Z |
| publishDate | 2010 |
| publisher | Інститут фізики конденсованих систем НАН України |
| record_format | dspace |
| spelling | Belonoshko, A.B. 2012-04-08T16:38:07Z 2012-04-08T16:38:07Z 2010 The equation of state for hexagonal close packed (hcp or ε) phase of Fe at high pressure is created by employing molecular dynamics (MD) simulations in conjunction with the embedded atom method based on the full potential linear muffin tin orbital (FPLMTO) method. Comparison between the existing experimental data and our calculations suggests that the obtained equation of state can be reliably used for calculating iron volumetric properties under conditions appropriate for the Earth's core. We demonstrate that some experimental data on iron might be subjected to a systematic error. I suggest a model which describes the temperature dependence of the volume better than the Mie-Grüneisen equation. 1607-324X PACS: 61.66.Bi, 62.50.+p, 64.30.+t, 71.15.Pd https://nasplib.isofts.kiev.ua/handle/123456789/32102 Computations were performed using the facilities at the Swedish National Infrastructure for Computing (SNIC). Financial support from the Swedish Research Council (VR) is gratefully acknowledged. en Інститут фізики конденсованих систем НАН України Condensed Matter Physics Equation of state for ε-iron at high pressures and temperatures Equation of state for ε-iron at high pressures and temperatures / A.B. Belonoshko // Condensed Matter Physics. — 2010. — Т. 13, № 2. — С. 23605: 1-11. — Бібліогр.: 43 назв. — англ. Article published earlier |
| spellingShingle | Equation of state for ε-iron at high pressures and temperatures Belonoshko, A.B. |
| title | Equation of state for ε-iron at high pressures and temperatures |
| title_alt | Equation of state for ε-iron at high pressures and temperatures / A.B. Belonoshko // Condensed Matter Physics. — 2010. — Т. 13, № 2. — С. 23605: 1-11. — Бібліогр.: 43 назв. — англ. |
| title_full | Equation of state for ε-iron at high pressures and temperatures |
| title_fullStr | Equation of state for ε-iron at high pressures and temperatures |
| title_full_unstemmed | Equation of state for ε-iron at high pressures and temperatures |
| title_short | Equation of state for ε-iron at high pressures and temperatures |
| title_sort | equation of state for ε-iron at high pressures and temperatures |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/32102 |
| work_keys_str_mv | AT belonoshkoab equationofstateforεironathighpressuresandtemperatures AT belonoshkoab equationofstateforεironathighpressuresandtemperaturesabbelonoshkocondensedmatterphysics2010t132s23605111bíblíogr43nazvangl |