二元纳米共晶相图的尺寸效应

项目名称： 二元纳米共晶相图的尺寸效应

项目编号： No.51301073

项目类型： 青年科学基金项目

立项/批准年度： 2014

项目学科： 一般工业技术

项目作者： 李明

作者单位： 淮北师范大学

项目金额： 25万元

中文摘要： 由于纳米材料的广泛应用，纳米相图的研究已成为研究的热点。纳米相平衡处于亚稳状态，实验上测量有一定的难度，目前的测量手段只有在透射电镜上原位变温观察相变温度和结构测量获得固溶度, 而且其结果只是半定量的。因此，热力学和计算机模拟等理论研究成为研究纳米相图的主要手段。本申请依托组元的宏观热力学参数和二元交互作用系数，采用组元的固-液、固-固相变温度、组元间的交互作用系数尺度效应的热力学解析式，拟获得二元合金的各种尺寸依赖的热力学函数，相应的尺寸依赖的液相线、固相线、固溶线和二元纳米共晶相图。同时采用计算机模拟方法验证共晶体系（Pb-Sn，Pb-Bi，Sn-Bi，Cd-Zn，Al-Ge等）各热力学函数的尺寸效应的有效性。并对选定体系的纳米粒子在电镜下通过电子衍射方法直接测量液相线和固相线以及固溶度并与热力学计算结果对比，确认热力学理论的正确性，为纳米相图的热力学研究提供参考。

中文关键词： 尺寸效应；形状效应；交互作用；二元纳米合金；共晶相图

英文摘要： The investigation of nanophase diagrams has attracted more and more attentions because of the wide applications of nanomaterials. The nanophase equilibrium is metastable in nature and is difficult to measure in experiment. Although the in situ variable temperature TEM measurement can observe the phase change temperature and solid solubility, the results are semi-quantitative. Fortunately,the theoretical method is an alternative way to study it. At present, thermodynamics and computer simulation have become the main theoretical methods to study nanophase diagrams. The purpose of this project is to understand the inbeing of the binary eutectic phase diagrams of nanoalloys and it will be worked out by thermodynamic, computeral simulant and experimental methods. Firstly, the size effect on thermodynamic functions, liquidus,solidus and solvus of binary eutectic phase relationship will be determined according to macroscopic thermodynamic parameters and atomic interaction parameters, as well as the models of size effect on solid-liquid and solid-solid phase change temperature and interaction parameters. Secondly,the computer simulations will be carried out to determine the size effect on interface energy and solid solubility of selected eutectic systems (Pb-Sn, Pb-Bi, Sn-Bi, Cd-Zn, Al-Ge et al.). Then, the validity of

英文关键词： size effect；shape effect；interatomic interaction；binary nanoalloys；eutectic phase diagrams