Abstract This paper investigates the heterogeneous kinetics of Al nanoparticles (NPal) under the influence of atomic numbers, heating rates, temperature and different annealing times by simulations method Molecular dynamics (MD) combined with embedded interaction potential Sutton-Chen (SC) and free boundary conditions. The results heterogeneous kinetics of NPal have been examined through Radial Distribution Function (RDF), total energy of the system (Etot), size (D), Common Neighborhood Analysis (CNA) method. The results show, the crystallization process takes place at the crystallization temperature Tg = 600 K lead to structure unit number Face-Centred Cubic (FCC), Hexagonal Close-Packed (HCP), Amorphous (Amor) change. Our finding indicates that the D and Etot of NPal nanoparticle are proportional to the atomic number (N) as D ∼ N−1/3, Etot ∼ N−1. The formation of FCC and HCP, Amor structure units are affected by the number of atoms (N), heating rate, temperature (T) and annealing time (t).

中文翻译：

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通过模拟方法了解铝纳米颗粒的异质动力学

摘要 本文通过分子动力学 (MD) 结合嵌入相互作用势 Sutton-Chen (SC) 和自由边界的模拟方法研究了原子序数、加热速率、温度和不同退火时间影响下 Al 纳米粒子 (NPal) 的异质动力学。使适应。通过径向分布函数 (RDF)、系统总能量 (Etot)、尺寸 (D)、公共邻域分析 (CNA) 方法检查了 NPal 的异质动力学结果。结果表明，结晶过程发生在结晶温度Tg=600 K下，导致结构单元数Face-Centred Cubic (FCC)、Hexagonal Close-Packed (HCP)、Amorphous (Amor)发生变化。我们的发现表明，NPal 纳米颗粒的 D 和 Etot 与原子序数 (N) 成正比，如 D ∼ N-1/3、Etot ∼ N-1。