Thermodynamic modeling of the U–Mn and U–Nb systems
Thermodynamic modeling of the U–Mn and U–Nb systems
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DOI：
10.1016/j.jnucmat.2008.07.008
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发表时间：
2008-10
影响因子：
3.1
通讯作者：
X. J. Liu;Zhengjie Li;Jian Wang;Chuan-Chao Wang
中科院分区：
文献类型：
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作者：
X. J. Liu;Zhengjie Li;Jian Wang;Chuan-Chao Wang
结合实验热力学性质和相平衡数据，采用相图计算（CALPHAD）方法对U-Mn和U-Nb二元系进行了热力学计算。U-Mn二元系中液相、bcc、fcc、αU和βU相的Gibbs自由能用Redlich-Kister方程的亚规则溶液模型描述，金属间化合物Mn 2U和MnU 6的Gibbs自由能用双子格模型描述。对U-Mn和U-Nb二元系的热力学参数进行了优化，以重现实验数据，并提供与实验确定的相图为每个二元系的协议。
The thermodynamic assessments of the U–Mn and U–Nb binary systems were carried out by using the CALPHAD (Calculation of Phase Diagrams) method incorporating experimental thermodynamic properties and phase equilibria. The Gibbs free energies of the liquid, bcc, fcc, αU and βU phases were described by the subregular solution model with the Redlich–Kister equation, and those of the intermetallic compounds (Mn2U and MnU6) in the U–Mn binary system were described by the two-sublattice model. The thermodynamic parameters of the U–Mn and U–Nb binary systems were optimized to reproduce the experimental data, and provide agreement with the experimentally determined phase diagram for each binary system.