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10.1038/s41598-017-03877-5 http://scihub22266oqcxt.onion/10.1038/s41598-017-03877-5 C5476570!5476570!28630476     free     free     free Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 209.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Sci+Rep 2017 ; 7 (ä): ä Nephropedia Template TP {{tp|p=28630476|t=2017. First Principles Theory of the hcp-fcc Phase Transition in Cobalt |pdf=|usr=}}{{28630476}} gab.com Text First Principles Theory of the hcp-fcc Phase Transition in Cobalt JO: Sci Rep http://www.kidney.de/pget.php?&tw=1&pmid=28630476 #FOAvip Identifying the forces that drive a phase transition is always challenging. The hcp-fcc phase transition that occurs in cobalt at ~700?K has not yet been fully understood, although early theoretical studies have suggested that magnetism plays a main role in the stabilization of the fcc phase at high temperatures. Here, we perform a first principles study of the free energies of these two phases, which we break into contributions arising from the vibration of the lattice, electronic and magnetic systems and volume expansion. Our analysis of the energy of the phases shows that magnetic effects alone cannot drive the fcc-hcp transition in Co and that the largest contribution to the stabilization of the fcc phase comes from the vibration of the ionic lattice. By including all the contributions to the free energy considered here we obtain a theoretical transition temperature of 825?K. Twit Text FOAVip First Principles Theory of the hcp-fcc Phase Transition in Cobalt ????Sci Rep http://www.kidney.de/pget.php?&tw=1&pmid=28630476 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=28630476 #FOAvip English Wikipedia <ref>{{Cite pmid|28630476}}</ref> First Principles Theory of the hcp-fcc Phase Transition in Cobalt #MMPMID28630476 Lizárraga R; Pan F; Bergqvist L; Holmström E; Gercsi Z; Vitos L Sci Rep 2017[]; 7 (ä): ä PMID28630476show ga Identifying the forces that drive a phase transition is always challenging. The hcp-fcc phase transition that occurs in cobalt at ~700?K has not yet been fully understood, although early theoretical studies have suggested that magnetism plays a main role in the stabilization of the fcc phase at high temperatures. Here, we perform a first principles study of the free energies of these two phases, which we break into contributions arising from the vibration of the lattice, electronic and magnetic systems and volume expansion. Our analysis of the energy of the phases shows that magnetic effects alone cannot drive the fcc-hcp transition in Co and that the largest contribution to the stabilization of the fcc phase comes from the vibration of the ionic lattice. By including all the contributions to the free energy considered here we obtain a theoretical transition temperature of 825?K. äFirst Principles Theory of the hcp-fcc Phase Transition in Cobalt (epmc).pdf DeepDyve Pubget Overpricing