Architecture of Thermodynamic Databases for Evaluation of Nano-size Alloys Phase Diagrms

用于评估纳米合金相图的热力学数据库体系结构

• 批准号: 14550724
• 负责人: TANAKA Toshihiro
• 金额: $ 2.24万
• 依托单位: Osaka University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2002
• 资助国家: 日本
• 起止时间: 2002 至 2003
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-14550724/
• 关键词: Nano-technology; surface tension; phase equilibria; thermodynamics; nano-particle; solid-liquid equilibria

(1) The surface tension of liquid alloys, molten ionic mixtures and interfacial tension between liquid Fe and molten slag have been evaluated from Butler's equation with thermodynamic databases.(2) Binary phase diagrams of small particle systems, which consist of a liquid phase with pure solid phases, have been evaluated from the information on the Gibbs energy in the bulk and the surface tension of the liquid phase. As the size of the particle decreases, the melting point of the pure component decreases and the liquid phase region is enlarged. These changes of the phase relations with the sire of the particle are dependent upon the composition dependence of the surface tension of the liquid phase.(3) Nano-particle binary alloy phase diagrams have been evaluated from the information on the Gibbs energy and the surface tension of the bulk size on the basis of the regular solution model. As the Size of the particle decreases, the liquid phase region is enlarged in those binary phase diagrams, in other words, the liquids temperature decreases. Effect of the size of the particle on the phase equilibria is remarkable when the excess Gibbs energy is positive and its absolute value is large in solid and liquid phases.(4) Based on the above investigations, we have constructed the thermodynamic databases on the nano-size alloy phase diagrams.

(1) 液态合金、熔融离子混合物的表面张力以及液态铁和熔融炉渣之间的界面张力已通过巴特勒方程和热力学数据库进行了评估。(2) 小颗粒系统的二元相图，其由液相组成纯固相，已根据本体吉布斯能量和液相表面张力的信息进行了评估。随着颗粒尺寸的减小，纯组分的熔点降低，液相区域扩大。这些与颗粒的相关系的变化取决于液相表面张力的成分依赖性。(3)根据吉布斯能和表面信息评估了纳米颗粒二元合金相图。基于常规解模型的体积尺寸的张力。随着颗粒尺寸的减小，二元相图中的液相区域扩大，换句话说，液体温度降低。在固相和液相中，当过剩吉布斯能量为正且其绝对值较大时，颗粒尺寸对相平衡的影响显着。(4)基于上述研究，我们构建了纳米粒子的热力学数据库。 -尺寸合金相图。

项目成果

T.Tanaka, S.Hara: "Evaluation of surface tension of pure solid at melting point"Zeitschrift fuer Metallkunde. (発表予定).

T.Tanaka、S.Hara：“纯固体熔点表面张力的评估”Zeitschrift fuer Metallkunde（待提交）。

Toshihiro TANAKA, Shigeta HARA: "Thermodynamic Evaluation of Surface Tension of Solid Metals"Zeitschrift flier Metallkunde. (to be submitted).

Toshihiro TANAKA、Shigeta HARA：“固体金属表面张力的热力学评估”Zeitschrift flier Metallkunde。

T.Tanaka, S.Hara: "Thermodynamic Evaluation of Surface Tension in Solid Metals"Zeitschrift fuer Metallkunde. (発表予定).

T. Tanaka、S. Hara：“固体金属表面张力的热力学评估”Zeitschrift fuer Metallkunde（待提交）。

T.Tanaka, S.Hara: "Thermodynamic Evaluation of Surface Tension in Solid Metals"Zeitschrift fuer Metallkunde. (発表予定). (2004)

T.Tanaka、S.Hara：“固体金属表面张力的热力学评估”Zeitschrift fuer Metallkunde（待发表）。