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author:

Hu, Kangming (Hu, Kangming.) [1] | Huang, Jinchang (Huang, Jinchang.) [2] | Wei, Zhenyi (Wei, Zhenyi.) [3] (Scholars:魏振毅) | Peng, Qiong (Peng, Qiong.) [4] | Xie, Zheyu (Xie, Zheyu.) [5] | Sa, Baisheng (Sa, Baisheng.) [6] (Scholars:萨百晟) | Wu, Bo (Wu, Bo.) [7] (Scholars:吴波)

Indexed by:

EI SCIE

Abstract:

Ti2AlNb-based alloy with a dominated orthorhombic phase is one of the most promising high-temperature structural materials. In this work, the equilibrium volume, elastic, and thermodynamic properties of the ordered O phase with stoichiometric Ti2AlNb were predicted under different temperatures using first-principles calculations based on density functional theory combined with quasi-harmonic approximation (QHA). With the increase of temperature from 0 to 1300 K, the elastic properties decrease moderately and the bonding strength weakens slightly. The intrinsic properties of the Ti2AlNb O phase are ductile at all temperature considered. In order to explore the evolution mechanism of the temperature-dependent elastic properties further, the density of state (DOS) has been analyzed. The stoichiometric Ti2AlNb O phase shows good high-temperature mechanical and thermal stability, which is a kind of potential high-temperature alloy applied in aeronautics industries. (C) 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Keyword:

elastic properties first-principles calculations orthorhombic phase quasi-harmonic approximation thermodynamic properties Ti2AlNb

Community:

  • [ 1 ] [Hu, Kangming]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Univ Pk, Fuzhou 350100, Peoples R China
  • [ 2 ] [Huang, Jinchang]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Univ Pk, Fuzhou 350100, Peoples R China
  • [ 3 ] [Wei, Zhenyi]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Univ Pk, Fuzhou 350100, Peoples R China
  • [ 4 ] [Peng, Qiong]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Univ Pk, Fuzhou 350100, Peoples R China
  • [ 5 ] [Xie, Zheyu]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Univ Pk, Fuzhou 350100, Peoples R China
  • [ 6 ] [Sa, Baisheng]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Univ Pk, Fuzhou 350100, Peoples R China
  • [ 7 ] [Wu, Bo]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Univ Pk, Fuzhou 350100, Peoples R China

Reprint 's Address:

  • 吴波

    [Wu, Bo]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Univ Pk, Fuzhou 350100, Peoples R China

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Source :

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

ISSN: 0370-1972

Year: 2017

Issue: 6

Volume: 254

1 . 7 2 9

JCR@2017

1 . 5 0 0

JCR@2023

ESI Discipline: PHYSICS;

ESI HC Threshold:170

JCR Journal Grade:3

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count: 16

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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