Au-Pd共晶纳米粒子熔化行为的分子动力学研究

摘要

采用分子动力学方法结合嵌入原子势，对Au—Pd共晶纳米粒子的热稳定性进行了模拟研究．计算结果表明：Au—Pd纳米粒子的熔点明显高于Au单质纳米粒子而低于Pd纳米粒子．通过计算Lindemann指数发现Au—Pd共晶纳米粒子中的Au原子首先熔化，然后带动Pd原子的熔化；熔化所经历的温度区间明显要宽于单质纳米粒子．%In this paper, we present an investigation on thermal stability of Au-Pd eutectic nanoparticle by using molecular dynamics simulation with embedded-atom potential. The results show that the melting point of Au-Pd eutectic nanoparticle is remarkably higher than that of pure Au one but lower than that of Pd one. By the analyses of Lindemann index, it is found that Au atoms first melt, then induce the melting of Pd atoms. The temperature range of melting is broader for Au-Pd eutectic nanoparticle than that for Au and Pd nanoparticles.