Numerical Simulation of Individual Metallic Nanoparticles

D. S. Wen, P. X. Song

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

1 Scopus citations

Abstract

Reactive metallic particles involve many complicated physical and chemical processes. Using molecular dynamics (MD) simulation as an example, this chapter explores the fundamental heating and reaction at the individual nanoparticle level. A brief overview of MD simulation is first introduced, and then the chapter focuses on the simulation of individual nanoparticle behavior related to ignition and combustion of energetic particles, which includes (i) size-dependent properties of individual nanoparticles, (ii) sintering and agglomeration of metallic nanoparticles, (iii) oxidation of nanoparticle in the presence of oxygen, and (iv) heating and cooling of core-shell-structured nanoparticles. This chapter provides some fundamental understanding the mechanism of reactive particles at the nanoscale, being complementary to bulk scale experiments and simulation.

Original languageEnglish
Title of host publicationMetal Nanopowders
Subtitle of host publicationProduction, Characterization, and Energetic Applications
PublisherWiley Blackwell
Pages25-66
Number of pages42
Volume9783527333615
ISBN (Electronic)9783527680696
ISBN (Print)9783527333615
DOIs
StatePublished - 19 May 2014
Externally publishedYes

Keywords

  • Functional nanoparticles
  • Melting temperature
  • Molecular dynamics
  • Nanofuels
  • Oxidation
  • Sintering
  • Size-dependent properties

Fingerprint

Dive into the research topics of 'Numerical Simulation of Individual Metallic Nanoparticles'. Together they form a unique fingerprint.

Cite this