物理化学学报 >> 2013, Vol. 29 >> Issue (10): 2148-2156.doi: 10.3866/PKU.WHXB201307291

热力学,动力学和结构化学 上一篇    下一篇

Al-Fe-P三元系的热力学优化

曹战民1, 谢伟1, 王昆鹏1, 牛春菊2, 杜广巍1, 乔芝郁1   

  1. 1 北京科技大学钢铁冶金新技术国家重点实验室, 冶金与生态工程学院, 北京 100083;
    2 北京科技大学材料科学与工程学院, 北京 100083
  • 收稿日期:2013-04-01 修回日期:2013-07-15 发布日期:2013-09-26
  • 通讯作者: 曹战民 E-mail:zmcao@ustb.edu.cn
  • 基金资助:

    国家自然科学基金(50934011, 51274034)和中央高校基础研究基金(FRF-SD-12-010A)资助项目

Thermodynamic Optimization of the Al-Fe-P Ternary System

CAO Zhan-Min1, XIE Wei1, WANG Kun-Peng1, NIU Chun-Ju2, DU Guang-Wei1, QIAO Zhi-Yu1   

  1. 1 State Key Laboratory of Advanced Metallurgy, School of Metallurgical and Ecological Engineering, University of Science & Technology Beijing, Beijing 100083, P. R. China;
    2 School of Materials Science and Engineering, University of Science & Technology Beijing, Beijing 100083, P. R. China
  • Received:2013-04-01 Revised:2013-07-15 Published:2013-09-26
  • Contact: CAO Zhan-Min E-mail:zmcao@ustb.edu.cn
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (50934011, 51274034) and Fundamental Research Funds for the Central Universities, China (FRF-SD-12-010A).

摘要:

采用CALPHAD方法对Al-Fe-P三元系进行了热力学评估, 并根据相关的实验数据对边际二元系Al-P进行了热力学再优化, Al-Fe和Fe-P边际二元系的热力学参数取自之前的研究并做了局部调整. 根据相图数据和热力学数据优化了Al-Fe-P三元系的热力学模型参数, 获得了体系中所有相的Gibbs自由能表达式. 所得参数之间自洽且能很好地重现Al-Fe-P体系的大部分实验相图信息. 通过驱动力判据和本文优化所得的模型参数,从热力学上解释了该体系非晶形成能力与组成之间的关系.

关键词: Al-Fe-P, 相图, 热力学, 评估, 非晶形成能力

Abstract:

A critical thermodynamic optimization of the Al-Fe-P ternary system was performed using the CALPHAD method. Among the sub-binary systems in the Al-Fe-P system, the Al-P systemwas reassessed according to its related experimental information. The thermodynamic descriptions of the Al-Fe and Fe-Pbinary systems were taken from previous studies with minor modifications. The parameters of the thermodynamic model of the Al-Fe-P ternary systemwere optimized based on available experimental phase diagramdata and thermodynamic properties. One set of consistent parameters of the Gibbs energies of all phases, which can satisfactorily reproduce most of the experimental phase diagramdata, was obtained. By employing the driving force criterion with the present thermodynamic description, the experimentally reported composition dependence of the glass-forming ability of the Al-Fe-P systemcould be explained thermodynamically.

Key words: Al-Fe-P, Phase diagram, Thermodynamics, Optimization, Glass forming ability

MSC2000: 

  • O642