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首页> 外文期刊>The European physical journal, D. Atomic, molecular, and optical physics >Ultrafast laser irradiation of spherical nanoparticles: molecular-dynamics results on fragmentation and small-angle scattering
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Ultrafast laser irradiation of spherical nanoparticles: molecular-dynamics results on fragmentation and small-angle scattering

机译：球形纳米颗粒的超快激光辐照：碎片和小角度散射的分子动力学结果

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摘要

Using molecular dynamics simulation we study the response of a spherical nanoparticle to a sudden homogeneous energization, such as effected by ultrashort pulse laser irradiation. We consider a Lennard-Jones model system and two different values of the energization. For the smaller one, the sphere expands while a multitude of voids are created inside; the sphere develops finally into an external shell Idled with gas and small clusters. For the higher energization, the sphere expands uniformly and no shell structure is forrned. An analysis of the pressure generated confirms that in the latter case the pressure is compressive throughout the sphere expansion, while it is temporarily tensile for the lower energization leading to void formation. The final state of both systems shows the fragmentation of the sphere into a multitude of clusters. With increasing fragmentation the cluster distribution becomes shifted to smaller sizes. Simulated small-angle scattering functions of the exploding NP are presented. The distribution of minima allows for an easy determination of the particle size during expansion.
机译：使用分子动力学模拟，我们研究了球形纳米粒子对突然的均匀通电的响应，例如超短脉冲激光辐照的影响。我们考虑一个Lennard-Jones模型系统和两个不同的通电值。对于较小的球体，球体在扩大的同时内部产生了许多空隙。球体最终发展成为一个充满气体和小团簇的外壳。为了获得更高的能量，球体会均匀膨胀，并且不会破坏任何壳结构。对产生的压力的分析证实，在后一种情况下，压力在整个球体膨胀过程中都是压缩性的，而对于较低的通电来说它暂时是拉伸性的，导致形成空隙。这两个系统的最终状态都表明该球体破碎成多个簇。随着碎片的增加，簇分布变得更小。给出了爆炸NP的模拟小角散射函数。最小值的分布允许在膨胀过程中容易确定粒径。

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