• Complex
  • Title
  • Keyword
  • Abstract
  • Scholars
  • Journal
  • ISSN
  • Conference
成果搜索

author:

Chen, Rong (Chen, Rong.) [1] | Weng, Liangji (Weng, Liangji.) [2] | Zhang, Chubo (Zhang, Chubo.) [3] | Zhao, Panhong (Zhao, Panhong.) [4] | Su, Longju (Su, Longju.) [5] | Xie, Tianliang (Xie, Tianliang.) [6] | Qian, Cheng (Qian, Cheng.) [7] | Wu, Bo (Wu, Bo.) [8] (Scholars:吴波) | Sa, Baisheng (Sa, Baisheng.) [9] (Scholars:萨百晟) | Wen, Cuilian (Wen, Cuilian.) [10] (Scholars:温翠莲) | Yang, Li (Yang, Li.) [11] | Liu, Yu (Liu, Yu.) [12] | Wang, Chunxu (Wang, Chunxu.) [13] | Yang, Xiaolan (Yang, Xiaolan.) [14]

Indexed by:

EI Scopus SCIE

Abstract:

The influence of the existing site preference of the constituent elements on the sublattice on elastic properties is rarely explored in multi-principal element alloys (MPEAs). In this work, in order to explore the influence of the site preference of constituent atoms on the thermodynamic properties and elastic properties, the ordered configurations based on the previously predicted site occupying fractions (SOFs) and the disordered configuration based on a special quasi-random structure (SQS) were established, and the thermodynamic properties and elastic properties were predicted using the quasi-harmonic approximation (QHA) method first. It was found that the site preferring behaviors of atoms on the sublattices will not only improve the stability of the structure but will also lead to bigger elastic properties than its ideal disordered structure. Although the prediction of the temperaturedependent elastic properties using the QHA method shortens the time costs by only considering the effects of thermal expansion, it ignores the significant effect of lattice vibration on elastic properties at high temperatures. In order to explore the influence of lattice vibration on the temperature-dependent elastic properties further, the elastic properties of the ordered FCC_CoCrFeNi MPEA were predicted using the ab initio molecular dynamics (AIMD) method at several selective temperatures. The results show that except for the elastic constant C12 and bulk modulus, the lattice vibration reduces other elastic properties on the basis of thermal expansion. The predicted temperature-dependent shear and Young's moduli agree well with the limited experimental literature data. Thus, the temperature-dependent elastic properties can be reasonably predicted using the AIMD method based on site preference. The predicted polycrystalline elastic moduli B, G, and E of FCC_CoCrFeNi MPEA at 973 K are 146.68, 53.79, and 143.78 GPa, respectively.

Keyword:

Ab initio molecular dynamics (AIMD) Alloy thermodynamics Elastic properties Multi-principal element alloys (MPEAs) Site preference

Community:

  • [ 1 ] [Chen, Rong]Fuzhou Univ, Sch Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Peoples R China
  • [ 2 ] [Weng, Liangji]Fuzhou Univ, Sch Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Peoples R China
  • [ 3 ] [Su, Longju]Fuzhou Univ, Sch Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Peoples R China
  • [ 4 ] [Xie, Tianliang]Fuzhou Univ, Sch Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Peoples R China
  • [ 5 ] [Qian, Cheng]Fuzhou Univ, Sch Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Peoples R China
  • [ 6 ] [Wu, Bo]Fuzhou Univ, Sch Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Peoples R China
  • [ 7 ] [Sa, Baisheng]Fuzhou Univ, Sch Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Peoples R China
  • [ 8 ] [Wen, Cuilian]Fuzhou Univ, Sch Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou 350100, Peoples R China
  • [ 9 ] [Chen, Rong]Fuzhou Univ, Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350100, Peoples R China
  • [ 10 ] [Weng, Liangji]Fuzhou Univ, Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350100, Peoples R China
  • [ 11 ] [Su, Longju]Fuzhou Univ, Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350100, Peoples R China
  • [ 12 ] [Xie, Tianliang]Fuzhou Univ, Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350100, Peoples R China
  • [ 13 ] [Qian, Cheng]Fuzhou Univ, Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350100, Peoples R China
  • [ 14 ] [Wu, Bo]Fuzhou Univ, Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350100, Peoples R China
  • [ 15 ] [Sa, Baisheng]Fuzhou Univ, Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350100, Peoples R China
  • [ 16 ] [Wen, Cuilian]Fuzhou Univ, Mat Genome Inst, Sch Mat Sci & Engn, Fuzhou 350100, Peoples R China
  • [ 17 ] [Zhang, Chubo]Fuzhou Univ, Sch Adv Mfg, Mat Design & Manufacture Simulat Facil, Jinjiang 362200, Peoples R China
  • [ 18 ] [Zhao, Panhong]Fuzhou Univ, Sch Adv Mfg, Mat Design & Manufacture Simulat Facil, Jinjiang 362200, Peoples R China
  • [ 19 ] [Wu, Bo]Fuzhou Univ, Sch Adv Mfg, Mat Design & Manufacture Simulat Facil, Jinjiang 362200, Peoples R China
  • [ 20 ] [Yang, Li]Cent Iron & Steel Res Inst Grp, Beijing 100081, Peoples R China
  • [ 21 ] [Liu, Yu]Cent Iron & Steel Res Inst Grp, Beijing 100081, Peoples R China
  • [ 22 ] [Wang, Chunxu]Cent Iron & Steel Res Inst Grp, Beijing 100081, Peoples R China
  • [ 23 ] [Yang, Xiaolan]Zunyi Normal Coll, Zunyi 563002, Guizhou, Peoples R China
  • [ 24 ] [Wu, Bo]Fuzhou Univ, Univ Pk, Fuzhou 350100, Peoples R China

Reprint 's Address:

Show more details

Related Keywords:

Source :

JOURNAL OF ALLOYS AND COMPOUNDS

ISSN: 0925-8388

Year: 2023

Volume: 965

5 . 8

JCR@2023

5 . 8 0 0

JCR@2023

JCR Journal Grade:1

CAS Journal Grade:2

Cited Count:

WoS CC Cited Count: 4

SCOPUS Cited Count: 4

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

Online/Total:161/10009867
Address:FZU Library(No.2 Xuyuan Road, Fuzhou, Fujian, PRC Post Code:350116) Contact Us:0591-22865326
Copyright:FZU Library Technical Support:Beijing Aegean Software Co., Ltd. 闽ICP备05005463号-1