Simple analytical model of nanocluster coalescence for porous thin film design

P. Grammatikopoulos, E. Toulkeridou, K. Nordlund, M. Sowwan

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

Abstract

We propose an approach to coalescence studies that encompasses the random nature of nanoparticle deposition, which results in a statistical cancellation of individual sintering mechanisms. We present a rigorous, yet simple and intuitive, analytical method that describes the average coalescence behaviour of nanoparticles, regardless of constituent element or crystallinity, emphasizing only the predominant coalescence dependencies on temperature and size-dependent nanoparticle melting points. We assessed our model using molecular dynamics (MD) computer simulations of dissimilar systems, and found remarkable agreement between its predictions and the MD results. Its simplicity makes our model a suitable starting point for the development of a meso-scale simulation technique that can describe the growth of porous films and allow for their bespoke design.

Original languageEnglish
Article number015008
JournalModelling and Simulation in Materials Science and Engineering
Volume23
Issue number1
DOIs
StatePublished - 1 Jan 2015
Externally publishedYes

Keywords

  • analytical modelling
  • coalescence
  • molecular dynamics
  • nanoparticles
  • thin films

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