Nucleation kinetics in supercooled Ni50Ti50 : Computer simulation data corroborate the validity of the Classical Nucleation Theory

被引:16
|
作者
Tipeev, Azat O. [1 ]
Zanotto, Edgar D. [2 ]
机构
[1] Univ Fed Sao Carlos, Dept Phys, Via Washington Luiz,Km 235, BR-13565905 Sao Carlos, SP, Brazil
[2] Univ Fed Sao Carlos, Dept Mat Engn, Via Washington Luiz,Km 235, BR-13565905 Sao Carlos, SP, Brazil
基金
巴西圣保罗研究基金会;
关键词
Crystallization; Nucleation; Interfacial free energy; Classical nucleation theory; Metallic alloy; CRYSTAL NUCLEATION; CRYSTALLIZATION;
D O I
10.1016/j.cplett.2019.136749
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Understanding the crystal nucleation mechanism and kinetics is essential for predicting and controlling numerous natural and industrial processes. However, it is extremely difficult to experimentally determine certain key parameters, such as the critical nucleus size, the interfacial free energy, and the diffusion coefficient in multicomponent liquids. In this work, we used MD data on nucleation rates and diffusion coefficient to analyze the nucleation kinetics in a Ni50Ti50 alloy in the framework of the Classical Nucleation Theory (CNT). Our analysis validates the CNT as a good descriptor of the crystal nucleation rates in this supercooled alloy, corroborating recent results of MD simulation of supercooled Lennard-Jones and BaS liquids.
引用
收藏
页数:5
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