对Si-P和Si-Fe-P系统进行批判性评估和热力学再优化
Zhimin You1, Hao Zhang1, Senlin Cui2
1School of Metallurgy, Northeastern University, No. 3-11, Wenhua Road, Heping District, Shenyang 110819, China.
Materials (Basel, Switzerland)
|June 10, 2023
概括
本研究使用CALPHAD方法为Si-P和Si-Fe-P系统提供了一个热力学模型. 优化的参数准确地描述了Si-Fe-P合金的相位图和热力学特性.
科学领域:
- 材料科学 材料科学 材料科学
- 热力学是一种热力学.
- 计算材料科学科学 计算材料科学
背景情况:
- 准确的热力学数据对于理解和预测合金系统的相位行为至关重要.
- 之前对Si-Fe-P系统的评估显示出差异,需要重新评估.
研究的目的:
- 为Si-P和Si-Fe-P系统开发一个强大的热力学模型.
- 为了重新优化相位边界,并确定关键相位的吉布斯能量.
- 解决现有阶段图评估中的不一致性.
主要方法:
- 使用了CALPHAD计算法 (CALPHAD) 的方法.
- 在液体溶液中采用修改后准化学模型,在固体溶液中采用复合能量形式主义.
- 批判性地评估和整合现有的实验数据.
主要成果:
- 在Si-P系统中重新优化液体和固体Si相界限.
- 对于液体溶液和特定固体溶液 ((Fe) 3(P,Si) 1, (Fe) 2 ((P,Si) 1, (Fe) 1 ((P,Si) 1) 和FeSi4P4化合物的确定的吉布斯能量.
- 解决了Si-Fe-P系统的垂直截面,同热截面和液体表面投射的差异.
结论:
- 开发的热力学模型提供了对Si-Fe-P系统的合理描述.
- 优化的参数可以预测尚未探索的相位图和热力学特性.
- 这项工作对于推进Si-Fe-P合金的理解和应用至关重要.
关键词:
铁Si4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4P4SiFeP 系统系统SiP 系统系统阶段图 阶段图 阶段图热力学建模 热力学建模热力学特性 热力学特性更多相关视频
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