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author:

Zhang Chaohui (Zhang Chaohui.) [1] | Wu Bo (Wu Bo.) [2] (Scholars:吴波) | Zhang Likun (Zhang Likun.) [3] | Chen Tuo (Chen Tuo.) [4] | Ye Guoxin (Ye Guoxin.) [5] | Wang Chen (Wang Chen.) [6] (Scholars:王晨)

Indexed by:

EI Scopus SCIE PKU CSCD

Abstract:

Based on the fundamental thermodynamic principles, the ordering behavior of the ThMn12-type intermetallics NdFe10-xCoxMo2 were studied using a general four-sublattice model supported with first-principles calculations. The results show that the 2a sublattices are occupied by the rare earth elements Nd exclusively, while the 50% of 8i sublattices are occupied by Mo atoms, 8f, 8j and the rest 50% of 8i sublattices are shared by Fe and Co atoms, which agreed well with the reported experimental results. Site occupancy fractions of Fe and Co atoms vary with temperature in the quaternary alloys due to the partial solid solution of Fe and Co atoms in sublattice 8f and 8j, while they keep constant in ternary alloys upon varying temperature. Co and Fe atoms can substitute each other without affecting the ordering behavior of the intermetallics. In the alloy NdFe5Co5Mo2, with an equal the content of Fe and Co, Fe atoms favor the occupancy of sublattice 8f, while Co atoms prefer the occupancy of sublattice 8j.

Keyword:

first-principles calculations ordering behavior rare-earth intermetallics thermodynamic model

Community:

  • [ 1 ] [Zhang Chaohui]Fuzhou Univ, Fuzhou 350108, Peoples R China
  • [ 2 ] [Wu Bo]Fuzhou Univ, Fuzhou 350108, Peoples R China
  • [ 3 ] [Zhang Likun]Fuzhou Univ, Fuzhou 350108, Peoples R China
  • [ 4 ] [Chen Tuo]Fuzhou Univ, Fuzhou 350108, Peoples R China
  • [ 5 ] [Ye Guoxin]Fuzhou Univ, Fuzhou 350108, Peoples R China
  • [ 6 ] [Wang Chen]Fuzhou Univ, Fuzhou 350108, Peoples R China

Reprint 's Address:

  • 张朝辉

    [Zhang Chaohui]Fuzhou Univ, Sch Mat Sci & Engn, Fuzhou 380108, Peoples R China

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Source :

RARE METAL MATERIALS AND ENGINEERING

ISSN: 1002-185X

CN: 61-1154/TG

Year: 2012

Issue: 5

Volume: 41

Page: 857-861

0 . 1 6

JCR@2012

0 . 6 0 0

JCR@2023

ESI Discipline: MATERIALS SCIENCE;

JCR Journal Grade:4

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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