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首页> 外文期刊>Nanotechnology >Modelling transport phenomena and epitaxial behaviours of duster-surface collisions via molecular dynamics simulations
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Modelling transport phenomena and epitaxial behaviours of duster-surface collisions via molecular dynamics simulations

机译：通过分子动力学模拟对除尘器表面碰撞的传输现象和外延行为进行建模

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This paper studies the transport phenomena of disordered systems in the thermal relaxation process by cluster impact on a solid surface. Constant-temperature molecular dynamics simulations were applied for nanoscale modelling. The surface wetting and epitaxial behaviours of deposited clusters with various flow and internal kinetic energy were investigated. This revealed that the internal temperature of clusters enhanced the lateral activity of atoms, while normal incident energy was related to atomic implantation. By exchanging momentum and energy from the system to a heat sink with constant temperature, the collision system reached thermal equilibrium after a long enough simulation time. The temperature decay profiles of the system were presented as an exponential-type function, which is dependent on the efficiency of the cooling model and the heat conductivity of the material. Finally, the nanostructure growth mechanism by cluster deposition was studied. It showed that both epitaxial film and voids were constructed by the cluster-island and island-island collision mechanism, which was dependent on the incident energy of the cluster and the surface temperature. As a dynamic behaviour of a nanostructure with a non-zero momentum of its mass centre, the rocking phenomenon was presented as an important characteristic of thin films by cluster deposition.
机译：本文通过团簇对固体表面的冲击研究了热弛豫过程中无序系统的输运现象。恒温分子动力学模拟应用于纳米尺度建模。研究了具有不同流动和内部动能的团簇的表面润湿和外延行为。这表明，团簇的内部温度增强了原子的横向活性，而正常入射能量与原子注入有关。通过将动量和能量从系统交换到恒温的散热器，在足够长的模拟时间后，碰撞系统达到了热平衡。系统的温度衰减曲线表示为指数型函数，该函数取决于冷却模型的效率和材料的热导率。最后，研究了团簇沉积的纳米结构生长机理。结果表明，外延膜和空洞都是由簇岛和岛岛碰撞机理构成的，这取决于簇的入射能和表面温度。作为其质心非零动量的纳米结构的动态行为，摇摆现象被认为是通过团簇沉积形成的薄膜的重要特征。

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