Study of the glass transition temperature of polymer surface by coarse-grained molecular dynamics simulation

Hiroshi Morita, Keiji Tanaka, Tisato Kajiyama, Toshio Nishi, Masao Doi

Research output: Contribution to journalArticle

95 Citations (Scopus)

Abstract

The glass transition temperature at the surface of polymer film is studied by the coarse-grained molecular dynamics simulation. By the analysis of the segmental motion, the glass transition temperatures at the surface region and that in the bulk region are determined separately. The glass transition at the surface region is found to be lower than that in the bulk region. The molecular weight dependence of the glass transition temperature obtained by the simulation agrees well with that obtained by the scanning force microscopic measurements.

Original languageEnglish
Pages (from-to)6233-6237
Number of pages5
JournalMacromolecules
Volume39
Issue number18
DOIs
Publication statusPublished - Sep 5 2006

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Molecular dynamics
Polymers
Computer simulation
Polymer films
Glass transition
Molecular weight
Scanning
Glass transition temperature

All Science Journal Classification (ASJC) codes

  • Organic Chemistry
  • Polymers and Plastics
  • Inorganic Chemistry
  • Materials Chemistry

Cite this

Study of the glass transition temperature of polymer surface by coarse-grained molecular dynamics simulation. / Morita, Hiroshi; Tanaka, Keiji; Kajiyama, Tisato; Nishi, Toshio; Doi, Masao.

In: Macromolecules, Vol. 39, No. 18, 05.09.2006, p. 6233-6237.

Research output: Contribution to journalArticle

Morita, Hiroshi ; Tanaka, Keiji ; Kajiyama, Tisato ; Nishi, Toshio ; Doi, Masao. / Study of the glass transition temperature of polymer surface by coarse-grained molecular dynamics simulation. In: Macromolecules. 2006 ; Vol. 39, No. 18. pp. 6233-6237.
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