Repulsion mechanism of nanoparticle colliding with monocrystalline silicon surface
Repulsion mechanism of nanoparticle colliding with monocrystalline silicon surface
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DOI：
10.7498/aps.54.2832
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发表时间：
2005-06
影响因子：
1
通讯作者：
Duan Fang-li;Luo Jianbin;Wen Shizhu
中科院分区：
文献类型：
--
作者：
Duan Fang-li;Luo Jianbin;Wen Shizhu
为了研究纳米粒子的排斥行为，对纳米粒子与单晶硅表面的碰撞进行了分子动力学模拟。分析了纳米粒子的动力学行为、基底弹性和塑性变形的原子结构以及碰撞过程中的能量转换。在Si(001)基底上形成了一个半球形凹坑，凹坑壁上存在一个非晶层。在碰撞过程中，靠近纳米粒子的基底原子立即转变为非晶态。在非晶层外产生了以可逆的(111)［110］滑移结构为特征的弹性变形。在入射阶段，基底经历压缩弹性变形。在排斥阶段，基底的势能随着压缩弹性变形和拉伸弹性变形交替形成而振荡下降。基底中储存的压缩弹性变形能转移到纳米粒子的平动动能上，使其从表面反弹回去。
Molecular dynamics simulation of nanoparticle colliding with monocrystalline silicon surface has been carried out in order to investigate the repulsion behavior of nanoparticles. The dynamical behavior of the nanoparticle, the atomistic structure of elastic and plastic deformation of the substrate, and the transformati on of energy during the collision process are analyzed. A hemispherical crater i s formed on the Si(001) substrate, and there exists an amorphous layer on the wa ll of the crater. In the collision process, the atoms of the substrate that lie near the nanoparticles transform to amorphoustate immediately. And the elastic d eformation which is characterized by the reversible (111)［110］ glide structure is produced outside the amorphous layer. During the incidence stage, the substr ate undergoes compressed elastic deformation. And during the repulsion stage, th e potential energy of the substrate declines oscillatory with compressed elastic deformation and tensed elastic deformation formed alternately. The compressed e lastic deformation energy stored in the substrate is transferred to the transnat ional kinetic energy of the nanoparticle, which forces it back from the surface.