Al-Cu二元体系中Guinier-Preston区形成的热力学研究

IF 5.3 2区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY
Takao Suzuki , Takahiro Yabe , Masanori Enoki , Hiroshi Ohtani
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引用次数: 0

摘要

研究了Al-Cu体系中Guinier-Preston (GP)带形成的热力学机理。考虑到Al和Cu原子半径的差异导致的体积变化,初步计算了FCC相的自由能。利用CALPHAD方法对该自由能进行了分析,计算了具有GP(II)结构的有序结构与无序FCC相之间的亚稳平衡相图。利用Cahn-Hilliard方程计算了独立分解的时间-温度变换曲线。结果表明:在200 K以下,无序FCC与GP(II)相发生了纵向分解,在较高温度下不发生分解;在蒙特卡罗模拟中直接引入有效簇相互作用,在200k时观察到GP(I)向GP(II)的自发连续转变,而在300k时没有观察到这种变化。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Thermodynamic investigation of Guinier–Preston zone formation in the Al–Cu binary system

Thermodynamic investigation of Guinier–Preston zone formation in the Al–Cu binary system
The thermodynamic mechanism of Guinier–Preston (GP) zone formation in the Al–Cu system was examined. The free energy of the FCC phase was initially calculated, considering the volume change due to the difference in atomic radii between Al and Cu. This free energy was analyzed based on the CALPHAD method, calculating the phase diagram of a metastable equilibrium between the ordered structure with a GP(II) structure and the disordered FCC phase. Furthermore, the time–temperature–transformation curve for spinodal decomposition was calculated using the Cahn–Hilliard equation. The results showed that below 200 K, a spinodal decomposition occurred between the disordered FCC and the GP(II) phase, and no decomposition occurred at higher temperatures. With the direct introduction of effective cluster interactions in Monte Carlo simulations, spontaneous and continuous transformation from GP(I) to GP(II) was observed at 200 K, but no such change was observed at 300 K.
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来源期刊
Scripta Materialia
Scripta Materialia 工程技术-材料科学:综合
CiteScore
11.40
自引率
5.00%
发文量
581
审稿时长
34 days
期刊介绍: Scripta Materialia is a LETTERS journal of Acta Materialia, providing a forum for the rapid publication of short communications on the relationship between the structure and the properties of inorganic materials. The emphasis is on originality rather than incremental research. Short reports on the development of materials with novel or substantially improved properties are also welcomed. Emphasis is on either the functional or mechanical behavior of metals, ceramics and semiconductors at all length scales.
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