Effect of magnetism on the solubility of 3d elements in BCC iron: Results of first-principle investigations
2013 (English)In: Physics of metals and metallography, ISSN 0031-918X, Vol. 114, no 8, 642-653 p.Article in journal (Refereed) Published
The methods of quantum-mechanical simulation have been used to study alloys of bcc iron with 3d transition metals in the ferromagnetic and paramagnetic states. It has been shown that the main factor that determines the solubility of the 3d elements is their electronic structure. The energy of the solution, mixing, and effective interatomic interactions vary regularly depending on the position of the element in the Periodic Table and on the magnetic state of the matrix. In some cases, depending on the magnetic state, changes in these quantities lead to the violation of the Hume-Rothery rules that determine the solubility of substitutional elements in alloys. The results obtained help us to understand the microscopic mechanisms that determine the solubility of alloying elements and their effect on the phase stability and structural state of steels.
Place, publisher, year, edition, pages
2013. Vol. 114, no 8, 642-653 p.
first-principle calculations, electronic structure, magnetism, iron alloys, solubility of alloying elements
Metallurgy and Metallic Materials
IdentifiersURN: urn:nbn:se:kth:diva-128492DOI: 10.1134/S0031918X13080036ISI: 000323277200002ScopusID: 2-s2.0-84884302467OAI: oai:DiVA.org:kth-128492DiVA: diva2:648117
QC 201309132013-09-132013-09-122015-11-09Bibliographically approved