MD simulation on cryogenic sublimation dynamics of dry ice nanoparticles

Yi Min Chen, Lin Chen, Xin Rong Zhang

Research output: Contribution to conferencePaperpeer-review


Nanoscale particles may play an important role in the property of solid-gas two-phase flow, as their sublimation, collision and other physical behaviors usually differ from macroscopic ones. In this paper, the sublimation and collision of carbon dioxide nanoscale particles are investigated by means of molecular dynamics simulation method basing on the EPM2 model. In the case of sublimation, nanoscale carbon dioxide particles of different size (side lengths ranging from 1.126nm-3.378nm) and a nanoscale dry ice film (thickness 5.6nm) are heated by constant heat fluxes. For smaller particles, the solid-gas interface of nanoscale particles is ambiguous, and the sublimation can be rapid and isotropic. For larger particles, the thermodynamics behaviors are closer to the macroscopic ones. During the sublimation of the nanoscale dry ice film, the energy of the interface is at the same level as the interior under lower temperature. Under a high enough temperature, the energy of the interface rapidly increases, and the crystal sublimates rapidly. In the case of collision, particles of different sizes (side lengths ranging from 0.84nm-5.35nm) and collision velocities (ranging from 100 m/s-1000 m/s) are investigated. The bullet particle is given an initial velocity and shot into a targeted particle which has identical temperature and geometry. Under low velocity, collided particles will adhere to each other. Larger Initial velocity results in instant sublimation of the surface layer of the particles after the collision. Further increase/decrease of the collision velocity can lead to other interesting consequences that result in either deformation or combination of both particles.

Original languageEnglish
Publication statusPublished - 2014 Jan 1
Event15th International Heat Transfer Conference, IHTC 2014 - Kyoto, Japan
Duration: 2014 Aug 102014 Aug 15


Other15th International Heat Transfer Conference, IHTC 2014


  • Cryogenics
  • Nano/Micro scale measurement and simulation
  • Numerical simulation
  • Refrigeration
  • Two-phase/Multiphase flow

ASJC Scopus subject areas

  • Mechanical Engineering
  • Condensed Matter Physics


Dive into the research topics of 'MD simulation on cryogenic sublimation dynamics of dry ice nanoparticles'. Together they form a unique fingerprint.

Cite this