Theoretical investigation of the thermodynamic stability of nanoscale systems-III: Thin film with an IPB

Ryoichi Kikuchi, Long Qing Chen

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Thermodynamic stability of nanoscale thin films is analyzed theoretically using equilibrium statistical mechanics. A model binary system with a miscibility gap is treated in fcc using the pair approximation of the Cluster Variation Method. Each film has equal total numbers of A and B atoms, and has an interphase boundary (IPB) around the center of a film at low temperatures. The composition profile across the film is calculated for different temperatures and thicknesses. The result reveals that the composition inside a film is practically the same as that of the corresponding bulk fcc system, and the surface composition is close to that of the two-dimensional surface lattice. For a fixed temperature, the mutual solubility of two components increase as the film thickness decreases, and becomes totally miscible for very thin films. For a given thickness, the miscibility increases with the temperature, and the critical temperature Tc of phase separation is determined as a function of film thickness.

Original languageEnglish (US)
Pages (from-to)745-754
Number of pages10
JournalNanostructured Materials
Volume5
Issue number7-8
DOIs
StatePublished - Jan 1 1995

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Thermodynamic stability
Thin films
thermodynamics
thin films
Solubility
film thickness
solubility
Film thickness
cluster variation method
Temperature
miscibility gap
statistical mechanics
Statistical mechanics
temperature
critical temperature
Chemical analysis
Surface structure
Phase separation
profiles
Atoms

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics

Cite this

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abstract = "Thermodynamic stability of nanoscale thin films is analyzed theoretically using equilibrium statistical mechanics. A model binary system with a miscibility gap is treated in fcc using the pair approximation of the Cluster Variation Method. Each film has equal total numbers of A and B atoms, and has an interphase boundary (IPB) around the center of a film at low temperatures. The composition profile across the film is calculated for different temperatures and thicknesses. The result reveals that the composition inside a film is practically the same as that of the corresponding bulk fcc system, and the surface composition is close to that of the two-dimensional surface lattice. For a fixed temperature, the mutual solubility of two components increase as the film thickness decreases, and becomes totally miscible for very thin films. For a given thickness, the miscibility increases with the temperature, and the critical temperature Tc of phase separation is determined as a function of film thickness.",
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Theoretical investigation of the thermodynamic stability of nanoscale systems-III : Thin film with an IPB. / Kikuchi, Ryoichi; Chen, Long Qing.

In: Nanostructured Materials, Vol. 5, No. 7-8, 01.01.1995, p. 745-754.

Research output: Contribution to journalArticle

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