Calculation of the parameters of stability for the iron-chromium fcc solid solutions using the results of first-principles simulation

Mirzoev A.A.; Yalalov M.M.; Mirzaev D.A.

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dc.contributor.author	Mirzoev A.A.	en
dc.contributor.author	Yalalov M.M.	en
dc.contributor.author	Mirzaev D.A.	en
dc.date.accessioned	2018-10-16T06:54:35Z
dc.date.available	2018-10-16T06:54:35Z
dc.date.issued	2007
dc.identifier.issn	0031918X
dc.identifier.uri	http://dspace.susu.ru/handle/0001.74/20755
dc.description.abstract	This paper contains the results of first-principles simulation of the energy of interchange between the atoms of iron and chromium in the fcc solid solutions and also the difference in the energies of fcc and bcc chromium. The results obtained for 0 K differ appreciably from the thermodynamic functions of the fcc and bcc Fe-Cr solutions. A new thermodynamic description of these solutions is presented, which agrees with the results of first-principles calculations and allows one to construct the γ-α equilibrium diagram close to experimental. © Nauka/Interperiodica 2007.	en]
dc.language.iso	English
dc.relation.ispartof	Physics of Metals and Metallography	en]
dc.subject	Chromium	en]
dc.subject	Computer simulation	en]
dc.subject	Gamma rays	en]
dc.subject	Iron	en]
dc.subject	Thermodynamic properties	en]
dc.subject	First-principles simulations	en]
dc.subject	Thermodynamic functions	en]
dc.subject	Solid solutions	en]
dc.title	Calculation of the parameters of stability for the iron-chromium fcc solid solutions using the results of first-principles simulation	en
dc.type	Article	en]
dc.identifier.doi	10.1134/S0031918X07010115
dc.identifier.scopus	https://www.scopus.com/inward/record.uri?eid=2-s2.0-33846655489&doi=10.1134%2fS0031918X07010115&partnerID=40&md5=e5148499b42f924d02b5e5cd4ba1cd4f