Continuum modeling of the cohesive energy for the interfaces between films, spheres, coats and substrates

Junhua Zhao, Lixin Lu, Zhiliang Zhang, Wanlin Guo, Timon Rabczuk

Research output: Contribution to journalArticle

16 Citations (Scopus)

Abstract

Explicit solutions of the cohesive energy for the interfaces between film/coat, sphere/coat, sphere/matrix and sphere/substrate are obtained by continuum modeling of the van der Waals interaction between them. The analytical results show that the cohesive energy strongly depends on their size and spacing. For a given film thickness and sphere radius, the cohesive strength increases with increasing coat thickness and then tends to a constant when the coat thickness is up to a critical value. The cohesive strength for the interface between sphere/matrix keeps a constant when the sphere radius is up to a critical value. Checking against full atom molecular mechanics calculations show that the continuum solution has high accuracy. The established analytical solutions should be of great help for understanding the interactions between the nanostructures and substrates, biomaterials, designing nanocomposites and nanoelectromechanical systems.

Original languageEnglish
Pages (from-to)432-438
Number of pages7
JournalComputational Materials Science
Volume96
Issue numberPB
DOIs
Publication statusPublished - 2015 Jan 1
Externally publishedYes

Fingerprint

continuum modeling
Continuum
Substrate
Substrates
Energy
Modeling
Critical value
energy
Radius
NEMS
Biomaterials
Molecular Mechanics
Molecular mechanics
radii
Van Der Waals
Nanocomposites
Biocompatible Materials
matrices
Explicit Solution
Nanostructures

ASJC Scopus subject areas

  • Materials Science(all)
  • Chemistry(all)
  • Computer Science(all)
  • Physics and Astronomy(all)
  • Computational Mathematics
  • Mechanics of Materials

Cite this

Continuum modeling of the cohesive energy for the interfaces between films, spheres, coats and substrates. / Zhao, Junhua; Lu, Lixin; Zhang, Zhiliang; Guo, Wanlin; Rabczuk, Timon.

In: Computational Materials Science, Vol. 96, No. PB, 01.01.2015, p. 432-438.

Research output: Contribution to journalArticle

Zhao, Junhua ; Lu, Lixin ; Zhang, Zhiliang ; Guo, Wanlin ; Rabczuk, Timon. / Continuum modeling of the cohesive energy for the interfaces between films, spheres, coats and substrates. In: Computational Materials Science. 2015 ; Vol. 96, No. PB. pp. 432-438.
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