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Author | Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. | ||||
Title | Stability and structures of the CFCC-TmC phases : a first-principles study | Type | A1 Journal article | ||
Year | 2012 | Publication | Computational materials science | Abbreviated Journal | Comp Mater Sci |
Volume | 51 | Issue | 1 | Pages | 146-150 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The η-M6C, γ-M23C6, and π-M11C2 phases (M = Cr, Mn and Fe) have complex cubic lattices with lattice parameters of approximately 1.0 nm. They belong to the CFCC-TmC family (complex face-centered cubic transition metal carbides), display a rich variety of crystal structures, and play in important role in iron alloys and steels. Here we show that first-principles calculations predict high stability for the γ-M23C6 and η-M6C phases, and instability for the π-M11C2 phases, taking into account various compositional and structural possibilities. The calculations also show a wide variety in magnetic properties. The Cr-containing phases were found to be non-magnetic and the Fe-phases to be ferromagnetic, while the Mn-containing phases were found to be either ferrimagnetic or non-magnetic. Details of the local atomic structures, and the formation and stability of these precipitates in alloys are discussed. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000296214300020 | Publication Date | 2011-08-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0927-0256; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.292 | Times cited | 18 | Open Access | |
Notes | Approved | Most recent IF: 2.292; 2012 IF: 1.878 | |||
Call Number | UA @ lucian @ c:irua:93277 | Serial | 3119 | ||
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