Ni-Ti-Si三元合金热力学性质及非晶形成范围计算

董洪娜; 李桂杰

Ni-Ti-Si三元合金热力学性质及非晶形成范围计算

董洪娜,
李桂杰^,

山东科技大学材料科学与工程学院, 山东青岛 266590

详细信息

作者简介:
董洪娜,硕士研究生,研究方向为材料热力学性质计算与模拟。E-mail:dhn1535209665@163.com

通讯作者:
李桂杰,副教授,博士,研究方向为无铅焊料、金属基复合材料、材料的模拟与计算等。E-mail:liguijieli@163.com

中图分类号: TG142.74
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出版历程
- 收稿日期: 2023-09-04
- 网络出版日期: 2024-07-23

Thermodynamic Properties of Ni-Ti-Si Ternary Alloy and Calculation of Amorphous Formation Range

DONG Hongna,
LI Guijie^,

School of Materials Science and Engineering, Shandong University of Science and Technology, Qingdao 266590, China

摘要

摘要: 基于Chou模型计算了在1 273 K下Ni-Ti-Si三元合金的形成焓ΔH、过剩熵S^E、过剩吉布斯自由能G^E、各组元的活度以及8个Ni-Ti-Si三元合金金属间化合物的形成焓。基于Toop模型预测了在1 273 K下Ni-Ti-Si三元合金的非晶形成范围。结果表明:Ni-Ti-Si三元合金在x_Ni=0.39、x_Ti=0.25、x_Si=0.36时的ΔH、S^E、G^E取得最小值,分别为ΔH_min=-56.25 kJ/mol、S^E_min=-6.38 J/mol、G^E_min=-48.14 kJ/mol。8个金属间化合物中,金属间化合物τ₁的ΔH最负,这说明τ₁的相稳定性最高,在凝固时最先析出,然后是τ₂、τ₆、τ₈析出,最后是τ₃、τ₄、τ₅析出;Ni-Ti-Si三元系各组元活度值与理想熔体之间存在非常大的负偏差;Ni-Ti-Si三元合金可以形成非晶,并且非晶形成范围很大,主要位于x_Ti=20%~80%和x_Ni=15%~90%的成分范围内。本研究计算出的Ni-Ti-Si三元合金的金属间化合物成分范围以及非晶形成范围均与实验结果吻合良好。
- Chou模型 /
- Toop模型 /
- 形成焓 /
- 过剩熵 /
- 过剩吉布斯自由能 /
- 活度
Abstract: The formation enthalpy ΔH, excess entropy S^E, excess Gibbs free energy G^E, and activity of each constituent element of Ni-Ti-Si ternary alloy at 1 273 K is calculated based on Chou model, and the formation enthalpies of 8 intermetallic compounds of the Ni-Ti-Si ternary alloy are calculated. The amorphous formation range of Ni-Ti-Si ternary alloy at 1 273 K is predicted based on Toop model. The calculated results show that when x_Ni=0.39, x_Ti=0.25, and x_Si= 0.36, the Ni-Ti-Si ternary alloy has the minimum ΔH, S^E and G^E, and ΔH_min=-56.25 kJ/mol, S^E_min=-6.38 J/mol, and G^E_min=-48.14 kJ/mol. Of the 8 intermetallic compounds, the ΔH of the intermetallic compound τ₁ is the most negative, indicating that its phase stability is the highest. It is the first to precipitate, τ₂, τ₆, τ₇ and τ₈ are the next, and τ₃, τ₄ and τ₅ are the last. Ni-Ti-Si ternary system has a very large negative deviation between the activity values of each constituent element and the ideal melt. Amorphous can be formed in the Ni-Ti-Si ternary alloy, and the amorphous formation range is very large, mainly in the composition range of x_Ti=20%~80% and x_Ni=15%~90%. The calculated range of intermetallic compounds and amorphous formation range of Ni-Ti-Si ternary alloy are in good agreement with the experimental results.
- Chou model /
- Toop model /
- formation enthalpy /
- excess entropy /
- excess Gibbs free energy /
- activity

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