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.
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| Дата: | 2010 |
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| Автор: | |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Інститут фізики конденсованих систем НАН України
2010
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| Назва видання: | Condensed Matter Physics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/32102 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
irk-123456789-32102 |
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irk-123456789-321022012-04-09T12:21:15Z Equation of state for ε-iron at high pressures and temperatures Belonoshko, A.B. 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. 2010 Article 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 http://dspace.nbuv.gov.ua/handle/123456789/32102 en Condensed Matter Physics Інститут фізики конденсованих систем НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| 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. |
| format |
Article |
| author |
Belonoshko, A.B. |
| spellingShingle |
Belonoshko, A.B. Equation of state for ε-iron at high pressures and temperatures Condensed Matter Physics |
| author_facet |
Belonoshko, A.B. |
| author_sort |
Belonoshko, A.B. |
| title |
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_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_sort |
equation of state for ε-iron at high pressures and temperatures |
| publisher |
Інститут фізики конденсованих систем НАН України |
| publishDate |
2010 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/32102 |
| series |
Condensed Matter Physics |
| work_keys_str_mv |
AT belonoshkoab equationofstateforeironathighpressuresandtemperatures |
| first_indexed |
2023-10-18T17:33:59Z |
| last_indexed |
2023-10-18T17:33:59Z |
| _version_ |
1796141883775254528 |