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Quenching of bcc-Fe...
Quenching of bcc-Fe from high to room temperature at high-pressure conditions : a molecular dynamics simulation
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- Belonoshko, Anatoly B. (author)
- KTH,Kondenserade materiens teori,Royal Institute of Technology
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- Derlet, P. M. (author)
- Paul Scherrer Institute
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- Mikhaylushkin, Arkady (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
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- Simak, Sergey (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
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- Hellman, Olle (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
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- Burakovsky, L. (author)
- Los Alamos National Laboratory
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- Swift, D. C. (author)
- Los Alamos National Laboratory
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- Johansson, Börje (author)
- Uppsala universitet,KTH,Tillämpad materialfysik,Institutionen för fysik och materialvetenskap,Royal Institute of Technology
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(creator_code:org_t)
- 2009-09-28
- 2009
- English.
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In: New Journal of Physics. - : IOP Publishing. - 1367-2630. ; 11
- Related links:
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http://iopscience.io...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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https://urn.kb.se/re...
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Abstract
Subject headings
Close
- The new high-temperature (T), high-pressure (P), body-centered cubic (bcc) phase of iron has probably already been synthesized in recent diamond anvil cell (DAC) experiments (Mikhaylushkin et al 2007 Phys. Rev. Lett. 99 165505). These DAC experiments on iron revealed that the high-PT phase on quenching transforms into a mixture of close-packed phases. Our molecular dynamics simulation and structural analysis allow us to provide a probable interpretation of the experiments. We show that quenching of the high-PT bcc phase simulated with the embedded-atom model also leads to the formation of the mixture of close-packed phases. Therefore, the assumption of the stability of the high-PT bcc iron phase is consistent with experimental observation.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- earths inner-core
- centered-cubic phase
- x-ray-diffraction
- in-situ
- iron
- anisotropy
- Physics
- NATURAL SCIENCES
Publication and Content Type
- ref (subject category)
- art (subject category)
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