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

author:

Wang, Xin (Wang, Xin.) [1] (Scholars:王欣) | Shao, Yanqun (Shao, Yanqun.) [2] (Scholars:邵艳群) | Liu, Xuehua (Liu, Xuehua.) [3] | Tang, Dian (Tang, Dian.) [4] (Scholars:唐电) | Wu, Bo (Wu, Bo.) [5] (Scholars:吴波) | Tang, Zhongzhi (Tang, Zhongzhi.) [6] | Lin, Wei (Lin, Wei.) [8]

Indexed by:

EI Scopus SCIE

Abstract:

Phase stability of (Ru1-x,Ti-x)O-2 solid solution was investigated via materials computation and X-ray diffraction phase analyses. The unit cell volume of (Ru1-x,Ti-x)O-2 was found not increasing monotonously with the fraction of TiO2, making the volume-composition relationship no longer suitable for the quantitative phase analysis. A monotonous nonlinear c/a-x relation obtained from the ab initio density functional theory (DFT) computation was proved critical to achieving accurate phase analysis results. Gibbs free energy of mixing and its derivatives were determined for (Ru1-x,Ti-x)O-2 by a combination of DFT and thermodynamic calculations, where approximation of the temperature dependence of the interaction parameter () played a critical role. It was found that the conventional approximation method of arbitrarily choosing a value & [10,25] kJ (mole of atoms)(-1) for near a critical temperature of a solid solution structure failed to predict the correct symmetry and span of the miscibility gap for (Ru1-x,Ti-x)O-2. In comparison, calculated from disordered (Ru1-x,Ti-x)O-2 was found a good approximation at the critical temperature. The calculated miscibility gap for (Ru1-x,Ti-x)O-2, therefore, showed good agreement with the accurate quantitative phase analysis results for the samples prepared by a sol-gel method.

Keyword:

Community:

  • [ 1 ] [Wang, Xin]Fuzhou Univ, Inst Mat Res, Fuzhou 350108, Fujian, Peoples R China
  • [ 2 ] [Liu, Xuehua]Fuzhou Univ, Inst Mat Res, Fuzhou 350108, Fujian, Peoples R China
  • [ 3 ] [Tang, Dian]Fuzhou Univ, Inst Mat Res, Fuzhou 350108, Fujian, Peoples R China
  • [ 4 ] [Tang, Zhongzhi]Fuzhou Univ, Inst Mat Res, Fuzhou 350108, Fujian, Peoples R China
  • [ 5 ] [Lin, Wei]Fuzhou Univ, Inst Mat Res, Fuzhou 350108, Fujian, Peoples R China
  • [ 6 ] [Shao, Yanqun]Fuzhou Univ, Coll Mat Sci & Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 7 ] [Tang, Dian]Fuzhou Univ, Coll Mat Sci & Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 8 ] [Wu, Bo]Fuzhou Univ, Coll Mat Sci & Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 9 ] [Wang, Xin]Fuzhou Univ, Coll Mat Sci & Engn, Fuzhou 350108, Fujian, Peoples R China

Reprint 's Address:

  • 王欣

    [Wang, Xin]Fuzhou Univ, Coll Mat Sci & Engn, Fuzhou 350108, Fujian, Peoples R China

Show more details

Version:

Related Keywords:

Related Article:

Source :

JOURNAL OF THE AMERICAN CERAMIC SOCIETY

ISSN: 0002-7820

Year: 2015

Issue: 6

Volume: 98

Page: 1915-1924

2 . 7 8 7

JCR@2015

3 . 5 0 0

JCR@2023

ESI Discipline: MATERIALS SCIENCE;

ESI HC Threshold:335

JCR Journal Grade:1

CAS Journal Grade:2

Cited Count:

WoS CC Cited Count: 13

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 3

Online/Total:259/10464531
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