This study report that a classical molecular dynamics (MD) simulation method has been performed to investigate the nucleation and growth mechanism from amorphous matrix of Cu-based CuPtPd ternary alloy system with different Pt and Pd addition at nano-scale. The Embedded Atom Method (EAM) utilizing the Sutton-Chen (SC) version is used to calculate interatomic interactions as a semi-empirical potential energy function. The crystallization stages have been examined by using computational method at different annealing temperatures using Johnson-Mehl-Avrami-Kolmogorov (JMAK) equations. The structural developments of systems are analysed with radial distribution function (RDF). Crystallized fractions (x) against annealing time have been calculated from the crystal-type bonded pairs based on Honeycutt-Andersen (HA) cluster analysis index. It is found that an increase in annealing temperature of systems plays important role for crystallization. In addition, the surface nucleation and one-dimensional growth are favourable for low Cu compositions in the CuPtPd system at low annealing temperatures. These findings shed new light on understanding the crystallization kinetics of CuPtPd system by using computer simulation method.

这项研究报告指出，已经进行了经典的分子动力学（MD）模拟方法，以研究在纳米级添加了不同Pt和Pd的Cu基CuPtPd三元合金体系的非晶态基体的成核和生长机理。利用Sutton-Chen（SC）版本的嵌入式原子方法（EAM）用于计算原子间相互作用，作为半经验势能函数。通过使用Johnson-Mehl-Avrami-Kolmogorov（JMAK）方程在不同的退火温度下通过计算方法检查了结晶阶段。利用径向分布函数（RDF）分析了系统的结构发展。结晶级分（x根据Honeycutt-Andersen（HA）聚类分析指数，从晶体型键合对计算出了对退火时间的影响。发现系统退火温度的升高对结晶起重要作用。此外，在低退火温度下，CuPtPd系统中的低成铜成分有利于表面成核和一维生长。这些发现为通过计算机模拟方法了解CuPtPd体系的结晶动力学提供了新的思路。