东北大学学报（自然科学版）

东北大学学报(自然科学版) ›› 2011, Vol. 32 ›› Issue (4): 541-544.DOI: -

• 论著 • 上一篇    下一篇

TiAl合金形成热模拟研究

陈学善;杜安;   

  1. 东北大学理学院;
  • 收稿日期:2013-06-19 修回日期:2013-06-19 发布日期:2013-04-04
  • 通讯作者: -
  • 作者简介:-
  • 基金资助:
    国家自然科学基金资助项目(50771025);;

Simulating heat of formation in a TiAl alloy

Jin, Hak-Son (1); Du, An (1)   

  1. (1) School of Sciences, Northeastern University, Shenyang 110819, China
  • Received:2013-06-19 Revised:2013-06-19 Published:2013-04-04
  • Contact: Du, A.
  • About author:-
  • Supported by:
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摘要： 调整了MAEAM模型中的电子密度参数比,并以相图为基础考虑每个成分比的相结构,应用改进分析型嵌入原子方法(MAEAM)计算了TiAl合金形成热.计算结果与Miedema理论结果进行了比较,二者的变化趋势一致.为了说明计算方法的可靠性,用同样的方法计算了NiAl合金和FeAl合金形成热.模拟结果与实验结果和第一性原理计算结果相一致.

关键词: 改进分析型嵌入原子方法, Miedema理论, TiAl合金, 形成热, 模拟

Abstract: The MAEAM model describing the constant ratio of electron density was adjusted, and the phase structure of each component ratio was taken into account based on phase diagrams. Heat of formation of a TiAl alloy was calculated using MAEAM theory. The calculation result yielded change trends consistent with results using the Miedema theory. In order to evaluate the reliability of the proposed calculation method, the heat of formation of NiAl alloys and FeAl alloys was calculated. Calculation results agreed with experimental values and the first principle calculation results.

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