Molecular Dynamics Simulations of Nanoparticle-Surface Collisions in Crystalline Silicon

Abstract

Abstract. We present a microscopic description for the impacting process of silicon nanospheres onto a silicon substrate. In spite of the relatively low energy regime considered (up to 1 eV/atom), the impacting process exhibits a rich behavior: A rigid Hertzian model is valid for speeds below 500 m/s, while a quasi-ellipsoidal deformation regime emerges at larger speeds. Furthermore, for speeds up to 1000 m/s the particle undergoes a soft landing and creates a long-lived coherent surface phonon. Higher speeds lead to a rapid attenuation of the coherent phonon due to a partial diamond cubic to β-tin phase transformation occurring in the particle.

Molecular dynamics simulation on the energy exchanges and adhesion probability of a nano-sized particle colliding with a weakly attractive static surface

“…13). This two-stage increase in the particle thermal energy has been observed in the previous MD studies of nano-sized particle collision with a deformable surface at constant temperature (Awasthi et al, 2007;Valentini & Dumitrica, 2008). It is noted that the second stage is also valid in the case of the deformable surface, where the surface may absorb the particle thermal energy during the unloading phase.…”

“…13). Suri and Dumitrica (2008) and Valentini and Dumitrica (2008) also reported the phase transition at the high velocity collision.…”

“…These studies cover the fragmentation and erosion phenomena typical at a very high collision velocity above 1 km/s (Cleveland & Landman, 1992;Tomsic, Schröder, Kompa, & Gebhardt, 2003;Yamaguchi & Gspann, 2002) and coalescence and rebound by the head-on collision of two clusters (Kuninaka & Hayakawa, 2009;Hawa & Zachariah, 2005;Kalweit & Drikakis, 2006). In addition, Suri and Dumitrica (2008) and Valentini and Dumitrica (2008) found that the phase transition is an efficient dissipative route that promotes particle capture for a 5 nm in radius H-passivated silicon nanosphere. Awasthi, Hendy, Zoontjens, and Brown (2006) and Awasthi, Hendy, Zoontjens, Brown, and Natali (2007) have reported MD results on a nano-sized Lennard-Jones cluster deposition.…”

Molecular dynamics simulations of the internal temperature dependent diffusing and epitaxial behaviors of Pd–Ag cluster beam deposition

“…For example, by combining the hypersonic plasma particle deposition [32][33][34] with CBD process, we can deposit hot nanoparticles with high or low velocities on the substrate. For example, by combining the hypersonic plasma particle deposition [32][33][34] with CBD process, we can deposit hot nanoparticles with high or low velocities on the substrate.…”

Nanopropulsion from High-Energy Particle Beams via Dispersion Forces in Nanotubes

“…40,41 Increasingly, collisions involving nanotubes and other massive neutral particles are being considered. Examples include, among others, fullerene-fullerene [42][43][44][45] and fullerene-surface collisions, 46 other nanoparticlesurface collisions, [47][48][49] damage to nanotubes in "cold spraying" processes, 50 and nanotube array surface deposition via collision. 51 At the same time, the rapid development of synthesis processes has led to considering nanotubes not just as constituents of the accelerated beam but as the enabling technology of advanced high-energy beam applications.…”