Mathematical modeling of melting of alumina nanoparticles

Alexander Fedorov, Sergey Lavruk

Research output: Chapter in Book/Report/Conference proceedingConference contributionResearchpeer-review

Abstract

The melting of alumina nanoparticles was studied using two different approaches. Molecular dynamics simulation of the melting process was performed. The mean-square displacement of atoms was plotted as a function of temperature. For a nanoparticle under periodic boundary conditions, melting was found to occur in the same temperature range as for a bulk sample. The dependence of the melting time on the particle radius was determined using a phenomenological approach. The obtained dependence is close to linear.

Original languageEnglish
Title of host publicationXV All-Russian Seminar "Dynamics of Multiphase Media", DMM 2017
Editors Fomin
PublisherAmerican Institute of Physics Inc.
Number of pages6
Volume1939
ISBN (Electronic)9780735416246
DOIs
Publication statusPublished - 28 Mar 2018
Event15th All-Russian Seminar on Dynamics of Multiphase Media, DMM 2017 - Novosibirsk, Russian Federation
Duration: 3 Oct 20175 Oct 2017

Publication series

NameAIP Conference Proceedings
PublisherAMER INST PHYSICS
Volume1939
ISSN (Print)0094-243X

Conference

Conference15th All-Russian Seminar on Dynamics of Multiphase Media, DMM 2017
CountryRussian Federation
CityNovosibirsk
Period03.10.201705.10.2017

Keywords

  • MOLECULAR-DYNAMICS
  • NANOCLUSTERS
  • SIMULATIONS
  • OXIDATION

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