Abstract Metallic, nanocomposite, thin-films with intertwined morphologies can be synthesized via physical vapor deposition of two immiscible metals. Understanding the phase-ordering kinetics controlling the way the microstructure develops is crucial to obtaining reliable and enhanced functionalities in these nanostructured thin-films. Here, we study the complex relationship between the vapor-deposition conditions and the resulting self-assembled nanoscale morphologies by using phase-field simulations. Our phase-field model accounts for the deposition of the incident vapor phase of a binary alloy onto a substrate, surface interdiffusion, and the subsequent spinodal decomposition in the resulting elastically inhomogeneous thin-film. We systematically investigated the effects of deposition rate, dissimilar bulk and surface kinetics, phase fraction, and dissimilar elastic response on the resulting microstructure. Four distinct classes of achievable self-assembled microstructure morphologies are observed throughout: lateral, vertical, random, and nanoprecipitate concentration modulations. Through our systematic investigation of competing mechanisms, we provide insights on the complex relationships between alloy species and deposition conditions to obtain specific nanostructured morphologies of binary, nanocomposite, thin-films.

中文翻译：

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模拟物理气相沉积过程中纳米复合薄膜的微观结构形态和浓度调制

摘要 具有交织形态的金属纳米复合薄膜可以通过两种不混溶金属的物理气相沉积合成。了解控制微结构发展方式的相序动力学对于在这些纳米结构薄膜中获得可靠和增强的功能至关重要。在这里，我们通过使用相场模拟研究气相沉积条件与由此产生的自组装纳米级形态之间的复杂关系。我们的相场模型解释了二元合金的入射气相沉积到基板上、表面相互扩散以及随后产生的弹性非均匀薄膜中的旋节线分解。我们系统地研究了沉积速率、不同的体积和表面动力学、相分数、以及对所得微观结构的不同弹性响应。在整个过程中观察到四种不同类别的可实现的自组装微结构形态：横向、垂直、随机和纳米沉淀浓度调制。通过我们对竞争机制的系统研究，我们提供了关于合金种类和沉积条件之间复杂关系的见解，以获得二元、纳米复合材料、薄膜的特定纳米结构形态。