Abstract
Received 13 February 2022DOI:https://doi.org/10.1103/PhysRevB.105.059903Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.Published by the American Physical SocietyPhysics Subject Headings (PhySH)Research AreasPhase transitionsPressure effectsPhysical SystemsTransition metalsTechniquesDensity functional theoryEmbedded atom modelMolecular dynamicsCondensed Matter, Materials & Applied Physics
Highlights
In the original paper, the embedded-atom potential [1] (EAM) was tabulated in the insufficient range of the parameter ρ
That resulted in extrapolation of the attractive term of the potential instead of the interpolation
The corrected temperature of the hexagonal close-packed-body-centered cubic phase phase transition is equal to 4825 K (4785 K in the original paper), and the body-centered cubic phase melts at 7305 K (7195 K in the original paper)
Summary
The embedded-atom potential [1] (EAM) was tabulated in the insufficient range of the parameter ρ. That resulted in extrapolation of the attractive term of the potential instead of the interpolation.
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