用描述长周期堆积有序相的一般模型对Mg-Ni-Gd体系进行热力学评价

IF 1.3 4区 材料科学 Q3 CRYSTALLOGRAPHY
Chenguang Yang, Jiadong Wang, Liqin Wu, Qiuyu Zeng, Liwei Zhang
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引用次数: 0

摘要

基于本构二元体系的热力学描述和文献中已有的实验相平衡数据,采用相图计算(CALPHAD)方法对Mg-Ni-Gd三元体系的相平衡进行了热力学评价。分别采用替代模型和亚晶格模型来描述溶解相和中间相。三元相τ1 ~ τ6描述为化学计量化合物,长周期有序堆积相14H和18R描述为Mgx(TM, Mg)6(RE, Mg)8模型(TM =过渡金属,RE =稀土)。得到了Mg-Ni-Gd体系的一组自洽热力学参数。计算了具有代表性的等温剖面、液相投影及相关的不变性反应。计算结果与实验数据的比较表明,该模型几乎能较好地再现所有可靠的实验数据。给出了整个三元体系的反应方案。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Thermodynamic assessment of the Mg-Ni-Gd system with a general model description the long-period stacking ordered phases
ABSTRACT The phase equilibria of the Mg-Ni-Gd ternary system were thermodynamically assessed by the CALPHAD (CALculation of PHAse Diagrams) method based on the thermodynamic descriptions of the constitutive binary systems and experimental phase equilibria data available in the literature. The substitutional model and sublattice model were employed to describe the solution phases and intermediate phases, respectively. The ternary phases τ1-τ6 were described as stoichiometric compound and the long-period stacking ordered phase 14H and 18R were described Mgx(TM, Mg)6(RE, Mg)8 model (TM = Transition Metal, RE = Rare Earth). A set of self-consistent thermodynamic parameters of the Mg-Ni-Gd system was obtained. Some representative isothermal section, liquidus projections and the related invariant reactions were calculated. Comparisons between the calculated results and experimental data show that almost all the reliable experimental data were satisfactorily reproduced by the present modeling. The reaction scheme for the whole ternary system is also presented.
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来源期刊
Phase Transitions
Phase Transitions 物理-晶体学
CiteScore
3.00
自引率
6.20%
发文量
61
审稿时长
1.4 months
期刊介绍: Phase Transitions is the only journal devoted exclusively to this important subject. It provides a focus for papers on most aspects of phase transitions in condensed matter. Although emphasis is placed primarily on experimental work, theoretical papers are welcome if they have some bearing on experimental results. The areas of interest include: -structural phase transitions (ferroelectric, ferroelastic, multiferroic, order-disorder, Jahn-Teller, etc.) under a range of external parameters (temperature, pressure, strain, electric/magnetic fields, etc.) -geophysical phase transitions -metal-insulator phase transitions -superconducting and superfluid transitions -magnetic phase transitions -critical phenomena and physical properties at phase transitions -liquid crystals -technological applications of phase transitions -quantum phase transitions Phase Transitions publishes both research papers and invited articles devoted to special topics. Major review papers are particularly welcome. A further emphasis of the journal is the publication of a selected number of small workshops, which are at the forefront of their field.
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