Transient coexisting nanophases in ultrathin films confined between corrugated walls

Joan E Curry, Fushan Zhang, John H. Cushman, Martin Schoen, Dennis J. Diestler

Research output: Contribution to journalArticle

43 Citations (Scopus)

Abstract

Grand-canonical Monte Carlo and microcanonical molecular dynamics methods have been used to simulate an ultrathin monatomic film confined to a slit-pore [i.e., between solid surfaces (walls)]. Both walls comprise atoms rigidly fixed in the face centered cubic (100) configuration; one wall is smooth on a nanoscale and the other is corrugated (i.e., scored with regularly spaced rectilinear grooves one to several nanometers wide). Properties of the film have been computed as a function of the lateral alignment (registry), with the temperature, chemical potential, and distance between the walls kept constant. Changing the registry carries the film through a succession of equilibrium states, ranging from all solid at one extreme to all fluid at the other. Over a range of intermediate registries the film consists of fluid and solid portions in equilibrium, that is fluid-filled nanocapillaries separated by solid strips. The range of registries over which such fluid-solid equilibria exist depends upon the width of the grooves and the frequency of the corrugation. For grooves of width comparable to the range of the interatomic potential, fluid and solid phases cease to coexist. In the limit of very wide grooves the character of the film is similar to that of the film confined by strictly smooth walls. The rich phase behavior of the confined film due to the coupling between molecular (registry) and nano (corrugation) scales has obvious implications for boundary lubrication.

Original languageEnglish (US)
Pages (from-to)10824-10832
Number of pages9
JournalThe Journal of Chemical Physics
Volume101
Issue number12
StatePublished - 1994
Externally publishedYes

Fingerprint

Ultrathin films
grooves
Fluids
fluids
boundary lubrication
Chemical potential
Phase behavior
Lubrication
Molecular dynamics
solid surfaces
slits
solid phases
strip
alignment
Atoms
molecular dynamics
porosity
configurations
atoms

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Curry, J. E., Zhang, F., Cushman, J. H., Schoen, M., & Diestler, D. J. (1994). Transient coexisting nanophases in ultrathin films confined between corrugated walls. The Journal of Chemical Physics, 101(12), 10824-10832.

Transient coexisting nanophases in ultrathin films confined between corrugated walls. / Curry, Joan E; Zhang, Fushan; Cushman, John H.; Schoen, Martin; Diestler, Dennis J.

In: The Journal of Chemical Physics, Vol. 101, No. 12, 1994, p. 10824-10832.

Research output: Contribution to journalArticle

Curry, JE, Zhang, F, Cushman, JH, Schoen, M & Diestler, DJ 1994, 'Transient coexisting nanophases in ultrathin films confined between corrugated walls', The Journal of Chemical Physics, vol. 101, no. 12, pp. 10824-10832.
Curry, Joan E ; Zhang, Fushan ; Cushman, John H. ; Schoen, Martin ; Diestler, Dennis J. / Transient coexisting nanophases in ultrathin films confined between corrugated walls. In: The Journal of Chemical Physics. 1994 ; Vol. 101, No. 12. pp. 10824-10832.
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