Ab initio thermodynamic properties of certain compounds in Nd-Fe-B system
Sign Up to like & getrecommendations! Published in 2020 at "Computational Materials Science"
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
The unconventionally stoichiometric compounds in the Na–K system at high pressures
Sign Up to like & getrecommendations! Published in 2021 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2021.110818
Abstract: Abstract Recent discoveries of alkali metal structures with novel properties at high pressures have stimulated considerable interest in binary mixtures of these metals under compression. This work reports a broad investigation of the physical and… read more here.
Keywords: system high; unconventionally stoichiometric; compounds system; stoichiometric compounds ... See more keywords
Crystal structure refinement of the Γ- and Γ1-phase compounds in the Fe-Zn system and orientation relationships among α-Fe, Γ and Γ1 phases in the coating layer of galvannealed steel
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2017.10.146
Abstract: Abstract The crystal structures of the Γ- and Γ1-phase compounds in the Fe-Zn system have been refined by single-crystal synchrotron X-ray diffraction. The Γ-phase compound consists of four Fe-centred (Zn,Fe)12 icosahedra connected with one another… read more here.
Keywords: phase; layer galvannealed; phases coating; compounds system ... See more keywords