Ab initio determination of iron melting at terapascal pressures and Super-Earths core crystallization
We performed ab initio molecular dynamics simulations for pressures and temperatures from 300–5000 GPa and 3000–30 000 K in order to determine the equation of state of solid and liquid iron. By employing a thermodynamic integration technique, we derive the ab initio entropy and Gibbs free energy of...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2023-09-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.5.033194 |