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

Seung chai Jung, Donguk Suh, Woong-Sup Yoon

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

Collisions of a Lennard-Jones particle comprised of 1055 molecules onto a weakly attractive rigid surface are numerically investigated using the molecular dynamics simulation. Diverse energy exchanges such as the kinetic energy transfer into deformation and rotational energy, heat dissipation, and the recovery of the kinetic energy show that their routes are distinguished by the collision velocity. At lower collision velocities, large part of the lost energy is converted into the particle rotational energy. At higher collision velocities, however, greater part of the incident kinetic energy is consumed into the particle potential and thermal energy while solid-to-solid phase transition occurs. Adhesion probability is greater than 0.5 when the Weber number before or after the collision is less than unity, but drops lower in intermediate collision velocity range in which the collision transits from elastic to plastic regime. Thermal rebound was not observed in this particle size.

Original languageEnglish
Pages (from-to)745-759
Number of pages15
JournalJournal of Aerosol Science
Volume41
Issue number8
DOIs
Publication statusPublished - 2010 Jan 1

Fingerprint

adhesion
Molecular dynamics
Adhesion
collision
Kinetic energy
Computer simulation
simulation
energy
kinetic energy
Potential energy
Thermal energy
Heat losses
Energy transfer
Phase transitions
Particle size
Plastics
Recovery
Molecules
particle
phase transition

All Science Journal Classification (ASJC) codes

  • Environmental Chemistry
  • Materials Science(all)
  • Pollution

Cite this

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Molecular dynamics simulation on the energy exchanges and adhesion probability of a nano-sized particle colliding with a weakly attractive static surface. / Jung, Seung chai; Suh, Donguk; Yoon, Woong-Sup.

In: Journal of Aerosol Science, Vol. 41, No. 8, 01.01.2010, p. 745-759.

Research output: Contribution to journalArticle

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