The physics of nucleated droplets in large-scale MD Lennard-Jones simulations

Raymond Angélil, Jürg Diemand, Kyoko K. Tanaka, Hidekazu Tanaka

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

We have performed large-scale Lennard-Jones molecular dynamics simulations of homogeneous vapor-to-liquid nucleation, typically with N ∼ (1-8) × 109. Our work continues on from [4, 5], except at lower vapor densities. The large size of these simulations is primarily necessitated by the rarity of nucleation events at these low supersaturations. A further benefit gained from large simulations is the substantial number of nucleated droplets which are able to continue growing without significantly dropping the vapor density. This allows us to study the properties of clusters as they grow, embedded within an unchanging external environment. This is particularly important in understanding the role that the droplet's surface plays in the development of the droplet-as a bustling interface between the denser (and ever-growing) core, and the stable vapor outside. The nucleation properties of the vapor as a whole are presented in a separate contribution (Diemand et al.), while here we explore the properties of the clusters themselves, once formed.

Original languageEnglish
Title of host publicationNucleation and Atmospheric Aerosols - 19th International Conference
Pages23-26
Number of pages4
DOIs
Publication statusPublished - 2013
Externally publishedYes
Event19th International Conference on Nucleation and Atmospheric Aerosols, ICNAA 2013 - Fort Collins, CO, United States
Duration: 2013 Jun 232013 Jun 28

Publication series

NameAIP Conference Proceedings
Volume1527
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

Other19th International Conference on Nucleation and Atmospheric Aerosols, ICNAA 2013
CountryUnited States
CityFort Collins, CO
Period13/6/2313/6/28

Keywords

  • Lennard-Jones potential
  • drops
  • equations of state
  • molecular dynamics method
  • nucleation
  • solid-vapour transformations

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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