Reply to “Comment on ‘Determination of the bulk melting temperature of nickel using Monte Carlo simulations: Inaccuracy of extrapolation from cluster melting temperatures' ”
The thermodynamic integration (TI) method for determining the melting temperature has to be performed with great care to ensure accuracy. Since the slopes of the Gibbs free energy curves as a function of temperature (or pressure) are usually rather close, small shifts in the free energy curves can l...
| Main Authors: | , |
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| Format: | Article |
| Language: | en_US |
| Published: |
American Physical Society
2012
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| Online Access: | http://hdl.handle.net/1721.1/70064 https://orcid.org/0000-0001-5559-4190 |