Abstract
Classical trajectory calculations are used to study collisions of nano-scale polyethylene (PE) particles on Si, C, and Al surfaces in a vacuum. The PE particles generated with up to 12 000 atoms have been propagated up to 100 ps for those surfaces to investigate the self-organization of polymer particles (mechanical memory) via collisions. It is shown that particles with the initial velocity greater than 8 Å/ps lose some chains while spreading on (coating) the surfaces during impact. In the simulation, the nano-scale PE particles with the initial velocity less than 5 Å/ps can self-organize back to their original spherical shape and do not show deformation of the shape. The results suggest that the experimentally observed deformation of a polymer particle on a substrate is due mainly to the surface interaction between the polymer particle and the substrate (surface wetting) and not to the collision.
Original language | English |
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Pages (from-to) | 339-349 |
Number of pages | 11 |
Journal | Chemical Physics |
Volume | 244 |
Issue number | 2-3 |
DOIs | |
State | Published - Jun 15 1999 |
Funding
KF and KR supported by the Postdoctoral Research Associates Program administered jointly by Oak Ridge National Laboratory and the Oak Ridge Institute for Science and Education. Research sponsored by the Division of Materials Sciences, Office of Basic Energy Sciences, U.S. Department of Energy under contract DE-AC05-96OR22464 with Lockheed Martin Energy Research.