Lévy-flight混合：Pt/Ti中的反常纳米扩散
Lévy-flight intermixing: anomalous nanoscale diffusion in Pt/Ti
摘要：
通过分子动力学模拟Pt/Ti双层膜中的纳米尺度混合现象，揭示了界面原子输运的超扩散性质。结果表明，Pt原子在Pt/Ti各向异性界面上以惊人的高速率进行反常原子输运，其输运过程可以用Lévy飞行来描述。Lévy飞行在自然界中并不是一种独特的现象，然而，对于体相互扩散，还没有这样的事件被报道。特别是，低能量（0.5 keV）离子溅射引起的瞬态增强混合已被研究的MD模拟。从头算密度泛函计算已被用来检查和reparametrize所采用的异质原子间的潜力。Lévy混合行为解释了在Pt/Ti双层中通过俄歇电子能谱深度分布（AES-DP）分析获得的浓度分布中的高扩散尾部（在参考文献：P. Süle，{\em等}，J.应用物理学，{\bf 101}，043502（2007））。
英文摘要：
Probing the anomalous nanoscale intermixing using molecular dynamics (MD) simulations in Pt/Ti bilayer we reveal the superdiffusive nature of interfacial atomic transport. It is shown that the Pt atoms undergo anomalous atomic transport across the anisotropic interface of Pt/Ti with suprisingly high rates which can be characterized as Lévy flights. Lévy flight is not a unique phenomenon in nature, however, no such events have been reported yet for bulk interdiffusion. In particular, the low-energy (0.5 keV) ion-sputtering induced transient enhanced intermixing has been studied by MD simulations. Ab initio density functional calculations have been used to check and reparametrize the employed heteronuclear interatomic potential. The Lévy-intermixing behavior explains the high diffusity tail in the concentration profile obtained by Auger electron spectroscopy depth profiling (AES-DP) analysis in Pt/Ti bilayer (reported in ref.: P. Süle, {\em et al.}, J. Appl. Phys., {\bf 101}, 043502 (2007)).
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