论文标题
金属FCC纳米线分解为有序的纳米链链中各向异性效应的多样性
Diversity of anisotropy effects in the breakup of metallic FCC nanowires into ordered nanodroplet chains
论文作者
论文摘要
我们已经分析了超薄纳米线动力学中表面能密度各向异性的表达表现,当退火以下时,它们将其分解为脱节的簇。使用蒙特卡洛动力学方法,研究了纳米轴相对于其内部晶体结构的不同温度和方向研究的分解过程。我们还提出了纳米线不稳定性的近似分析模型。通常,实验结果的解释是指尼科尔斯和穆林斯开发的理论模型,该模型基于有关液体喷气机瑞利不稳定性的概念。在这两种情况下,这些理论都没有考虑到表面能密度的各向异性 - 预测了半径为R的纳米线/液体射流分解为平均长度λ= 9R的片段。但是,观察到的值λ/r通常偏离9个偏差到较低的值或更大的值(最多24-30)。我们的结果解释了分裂的各种观察到的特征以及其参数λ/R值的显着变化取决于实验条件。特别是,已经研究了纳米线表面交换的模棱两可的作用,其周围的自由原子层是由于它们相当密集的升华而形成的,这发生在许多情况下。我们已经证明,这种交换可以导致参数λ/r的减少和显着增加。获得的结果可能在基于有序纳米颗粒链的光学波导的开发中可能有用。
We have analyzed the expressed manifestation of the anisotropy of surface energy density in the dynamics of ultrathin nanowires, which break up into disjointed clusters when annealed below their melting temperature. The breakup process is studied for different temperatures and orientations of the nanowire axis relative to its internal crystal structure using the Monte Carlo kinetic method. We have also presented an approximate analytical model of the instability of nanowires. Generally, the interpretation of experimental results refers to the theoretical model developed by Nichols and Mullins, which is based on conceptions about the Rayleigh instability of liquid jets. In both cases, the theories - which do not take into account the anisotropy of surface energy density - predict the breakup of a nanowire/liquid jet with radius r into fragments with an average length Λ=9r. However, the observed value, Λ/r, often deviates from 9 either to lower values or to substantially greater ones (up to 24-30). Our results explain various observed features of the breakup and the significant variations in the values of its parameter Λ/r depending on experimental conditions. In particular, the ambiguous role of exchange by atoms of the surface of a nanowire with the surrounding layer of free atoms formed as a result of their rather intensive sublimation, which occurs in a number of cases, has been investigated. We have shown that this exchange can lead both to a decrease, and to a significant increase, in the parameter Λ/r. The obtained results could be potentially useful in applications such as the development of optical waveguides based on ordered nanoparticles chains.