Size dependent surface energy of nanoplates: Molecular dynamics and nanoscale continuum theory correlations

M. Jamshidian, A. Dehghani, M. S. Talaei, Timon Rabczuk

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

A nanoscale gradient continuum theory along with molecular dynamics simulations are employed to investigate the size-dependent surface energy of nanoplates. Molecular dynamics simulations reveal that upon nanoplate thickness reduction, the redistribution of surface energy density along thickness direction causes the decrease of the surface energy of nanoplate free surfaces. Via introducing a calibration benchmark, the length scale model parameter of the gradient continuum theory is methodically determined. The calibrated continuum theory is shown to well predict the size-dependent surface energy and the associated redistribution of surface energy density within nanoplates.

Original languageEnglish
Pages (from-to)61-65
Number of pages5
JournalPhysics Letters, Section A: General, Atomic and Solid State Physics
Volume382
Issue number2-3
DOIs
Publication statusPublished - 2018 Jan 20
Externally publishedYes

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surface energy
molecular dynamics
continuums
flux density
gradients
scale models
simulation
causes

Keywords

  • Continuum theory
  • Molecular dynamics
  • Nanoplate
  • Surface energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Size dependent surface energy of nanoplates : Molecular dynamics and nanoscale continuum theory correlations. / Jamshidian, M.; Dehghani, A.; Talaei, M. S.; Rabczuk, Timon.

In: Physics Letters, Section A: General, Atomic and Solid State Physics, Vol. 382, No. 2-3, 20.01.2018, p. 61-65.

Research output: Contribution to journalArticle

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