Melting line and thermal equation of state of fcc-cobalt: A combined experimental and computational approach

Anzellini, Simone; Boccato, Silvia; Baty, Samuel R.; Burakovsky, Leonid; Antonangeli, Daniele; Errandonea, Daniel; Torchio, Raffaella

doi:10.1016/j.rinp.2023.107218

Title: Melting line and thermal equation of state of fcc-cobalt: A combined experimental and computational approach

Journal Article · 24 December 2023 · Results in Physics

DOI: https://doi.org/10.1016/j.rinp.2023.107218 · OSTI ID:2281531

^[1]; Boccato, Silvia ^[2]; Baty, Samuel R. ^[3]; Burakovsky, Leonid ^[3]; Antonangeli, Daniele ^[2]; Errandonea, Daniel ^[4]; Torchio, Raffaella ^[5]

Diamond Light Source Ltd., Didcot (United Kingdom); Universidad de Valencia (Spain)
Sorbonne Université, Paris (France). Muséum National d’Histoire Naturelle (MNHN); Centre National de la Recherche Scientifique-Mixed Organizations (CNRS-UMR), Paris (France). Insitut de Minéralogie, de Physique, des Matériaux, et de Cosmochinie (IMPMC)
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Universidad de Valencia (Spain)
European Synchrotron Radiation Facility (ESRF), Grenoble (France)

The melting line of cobalt has been investigated both experimentally, using synchrotron X-ray diffraction coupled with laser-heated diamond anvil cells, and theoretically, using ab initio simulations. Over the investigated pressure and temperature range – between 30 and 100 GPa and from ambient temperature up to 4000 K – the hexagonal close-packed structure, stable at ambient conditions, is replaced at high temperature by the face-centered cubic structure, observed stable till melting. The melting temperatures obtained by the two methods are in remarkable agreement and the melting line can be well described by a Simon–Glatzel equation of the form T$$_m$$ = 1768(K)(P(GPa)/35.62+1)^0.64. Finally, from the obtained results it was possible to determine a thermal equation of state for the cubic face-centered phase of Co.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); Generalitat Valenciana; European Union (EU)

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 2281531

Report Number(s):: LA-UR--23-33154; {"","Journal ID: ISSN 2211-3797"}

Journal Information:: Results in Physics, Journal Name: Results in Physics Vol. 56; ISSN 2211-3797

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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