摘要
用微观相场法结合自由能和原子间作用势研究了Ni0.75Al0.05Fe0.2合金在1000K时效中沉淀前期的预析出相的形成和转变过程;分析了沉淀前期预析出相和平衡相的自由能、微结构、成分和相体积分数随时间的变化。研究表明:由于结构接近,原子有序化首先形成非化学计量比预析出相L10,随着时间的延长,预析出相L10逐渐向L12相转变,并逐渐达到化学计量比平衡相L12。且发现此转变过程与自由能和原子间作用势有关,预析出相L10比平衡相L12的自由能高且原子间作用势小,故L10相不稳定且转变为稳定的L12相。
By utilizing phase field method combined with analysis on free energy and interatomic potentials, pre-precipitation phase formation and transformation process of Ni0.75Al0.05Fe0.2 alloy in early precipitation stage during the ageing process under 1 000 K were studied. And free energy, microstructures, compositions and volume fractions of pre-precipitation phase and equilibrium phase were analyzed. The simulation results indicate that nonstoichiometric Llo pre-precipitation phase formed first, and then would gradually transform into L12 equilibrium phase. It is discovered that the phase transformation process was closely related to free energy and interatomic potentials. Additionally, it is revealed that free energy of Llo pre-precipitation phase was higher and interatomic potential was smaller than that of L12 equilibrium phase. Therefore, it is concluded that Llo phase was unstable, and phase transformation would occur to L12 which was more stable.
基金
Projects(10902086, 50941020, 50875217) supported by the National Natural Science Foundation of China
Projects(JC201005) supported by Basic Research Fund of Northwestern Polytechnical University, China
Project supported by Graduate Starting Seed Fund and Doctoral Foundation of Northwestern Polytechnical University, China
关键词
预析出相
平衡相
原子间作用势
自由能
相场法
pre-precipitation phase
equilibrium phase
interatomic potentials
free energy
phase field method
