Ab initio thermodynamic properties of certain compounds in Nd-Fe-B system
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DOI: 10.1016/j.commatsci.2020.109696
Abstract: Abstract In this work, we report the results of ab initio calculations of thermochemical properties of several compounds in the Fe-Nd, B-Nd and B-Fe-Nd systems. We have performed DFT + U calculations to compute the enthalpy of… read more here.
Keywords: certain compounds; compounds system; thermodynamic properties; properties certain ... See more keywords