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OPTIMIZATION OF THERMODYNAMIC PARAMETERS AND CALCULATION OF PHASE DIAGRAM OF ZrO_2-TiO_2 BINARY SYSTEM

Chonghe Li

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Abstract

In order to obtain a good ZrO_2-TiO_2 system phase diagram according with experimental data well,the existing phase dia- gram and thermodynamic data of ZrO_2-TiO_2 system were assessed,and the improved phase diagram was calculated and optimized by using CALPHAD technology and some compounds with argument were analyzed.The existing phase diagram and thermodynamic data of ZrO_2-TiO_2 system were assessed,and the improved phase diagram was calculated and optimized by using CALPHAD tech- nology.In the calculation,the phasesα-ZrO_2,β-ZrO_2,γ-ZrO_2,β-(Zr,Ti)_2O_4,α-(Zr,Ti)_2O_4,ZrTi_2O_6,rutile-TiO_2 and liquid were treated with substitutional solution model and phases energy model,respectively.The calculated results are in good agreement with most of the latest experimental data reported recently within the error.

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What this paper is about

In order to obtain a good ZrO_2-TiO_2 system phase diagram according with experimental data well,the existing phase dia- gram and thermodynamic data of ZrO_2-TiO_2 system were assessed,and the improved phase diagram was calculated and optimized by using CALPHAD technology and some compounds with argument were analyzed.The existing phase diagram and thermodynamic data of ZrO_2-TiO_2 system were assessed,and the improved phase diagram was calculated and optimized by using CALPHAD tech- nology.In the calculation,the phasesα-ZrO_2,β-ZrO_2,γ-ZrO_2,β-(Zr,Ti)_2O_4,α-(Zr,Ti)_2O_4,ZrTi_2O_6,rutile-TiO_2 and liquid were treated with substitutional solution model and phases energy model,respectively.The calculated results are in good agreement with most of the latest experimental data reported recently within the error.

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Available abstract

In order to obtain a good ZrO_2-TiO_2 system phase diagram according with experimental data well,the existing phase dia- gram and thermodynamic data of ZrO_2-TiO_2 system were assessed,and the improved phase diagram was calculated and optimized by using CALPHAD technology and some compounds with argument were analyzed.The existing phase diagram and thermodynamic data of ZrO_2-TiO_2 system were assessed,and the improved phase diagram was calculated and optimized by using CALPHAD tech- nology.In the calculation,the phasesα-ZrO_2,β-ZrO_2,γ-ZrO_2,β-(Zr,Ti)_2O_4,α-(Zr,Ti)_2O_4,ZrTi_2O_6,rutile-TiO_2 and liquid were treated with substitutional solution model and phases energy model,respectively.The calculated results are in good agreement with most of the latest experimental data reported recently within the error.

Key concepts: CALPHAD, Phase diagram, Materials science, Thermodynamics, Phase (matter), Diagram, Binary system, Binary number

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