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)从Butler方程出发，结合热力学数据库，计算了液态合金、熔融离子混合物的表面张力以及液态铁与熔渣之间的界面张力。(2)二元相图的小颗粒系统，其中包括一个纯固相的液相，已被评估从信息的吉布斯能在散装和液相的表面张力。随着颗粒尺寸的减小，纯组分的熔点降低，液相区扩大。这些相关系的变化与颗粒的尺寸是依赖于液相的表面张力的组成依赖性。(3)根据规则溶液模型，从体相尺寸的吉布斯自由能和表面张力信息计算了纳米颗粒二元合金相图。随着颗粒尺寸的减小，二元相图中的液相区域扩大，即液相温度降低。当固相和液相的超额吉布斯自由能为正值且绝对值较大时，颗粒尺寸对相平衡的影响显著。(4)在此基础上，建立了纳米合金相图的热力学数据库。

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）。