%0 Journal Article %@ 1098-0121 %A Pozzo, M %A Alfe, D %D 2013 %F discovery:1415892 %J Physical Review B %N 2 %T Melting curve of face-centered-cubic nickel from first-principles calculations %U https://discovery.ucl.ac.uk/id/eprint/1415892/ %V 88 %X The melting curve of Ni up to 100 GPa has been calculated using first-principles methods based on density functional theory (DFT). We used two complementary approaches: (i) coexistence simulations with a reference system and then free-energy corrections between DFT and the reference system, and (ii) direct DFT coexistence using simulation cells including 1000 atoms. The calculated zero pressure melting temperature is slightly underestimated at 1637±10 K (experimental value is 1728 K), and at high pressure is significantly higher than recent measurements in diamond-anvil cell experiments [ Phys. Rev. B 87 054108 (2013)]. The zero pressure DFT melting slope is calculated to be 30±2 K, in good agreement with the experimental value of 28 K. %Z © APS 2013