Thermodynamic re-assessment of Fe-Ti binary system
Thermodynamic re-assessment of Fe-Ti binary system
复制标题
Fe-Ti二元体系的热力学重新评估
DOI：
10.1016/s1003-6326(11)61450-7
复制
发表时间：
2012-09-01
影响因子：
4.5
通讯作者：
Jin Zhan-peng
中科院分区：
文献类型：
--
作者：
Bo Hong;Wang Jiang;Jin Zhan-peng
利用CALPHAD方法对Fe-Ti二元系进行了重新评估，以提高外推到三元系或更高阶系的能力。与以前的评估相比，主要集中在两个金属间化合物Fe 2 Ti和FeTi的热力学描述。C14_Laves相Fe_2Ti采用目前广泛采用的双子点阵模型进行描述。通过对含有二元的三元系边界上的均匀性范围的检查，进一步确定了该化合物的相边界。将具有BCC_B2晶体结构的FeTi相视为BCC_A2相的有序相，并使用统一的吉布斯能函数来描述有序相和无序相。这些化合物的比热容的再现是另一个特别关注的方面。综合比较相图和热力学性质的计算结果和实验结果表明，它们之间有很好的一致性，证明了本热力学描述的有效性。
The Fe-Ti binary system was re-assessed using the CALPHAD method in order to improve the capability of being extrapolated to a ternary or higher-order system. Compared with previous assessments, the main focus was put on the thermodynamic description of the two intermetallic compounds Fe2Ti and FeTi. The C14_Laves phase Fe2Ti was described by the two-sublattice model, which is widely used at present. By checking the homogeneity range on the boundary of the ternary systems involving the binary, the phase boundary of this compound was further confirmed. The FeTi phase with a BCC_B2 crystal structure was treated as the ordered phase of the BCC_A2 phase and a unified Gibbs energy function was used to describe both the ordered and disordered phases. Reproduction of the specific heat capacities of these compounds was another aspect paid particular attention to. Comprehensive comparisons of the calculated and experimental results regarding the phase diagram and thermodynamic properties show a good agreement between them and prove the validity of the present thermodynamic description.