Prediction of surface and adhesion energies of nanoimprint lithography materials and anti-sticking layers by molecular dynamics simulation

Cited 5 time in webofscience Cited 0 time in scopus
  • Hit : 561
  • Download : 0
Molecular dynamics (MD) simulations are performed to calculate the surface and adhesion energies of nanoimprint lithography materials. The proposed simulation models include an amorphous SiO2, an amorphous poly(methylmethacrylate) film and self-assembled monolayers as anti-sticking layers. For the calculation of the surface and adhesion energies, a noble MD method is suggested to take into account the temperature effect, calculating the potential energy difference between the contacting and separate surfaces. The results of simulations are compared with the results of experiments obtained from liquid contact angle measurements and previous references. The relative error between simulations and experiments is about 10% for poly(methylmethacrylate) and self-assembled monolayers, and about 20% for amorphous SiO2, respectively. It is concluded that the suggested MD simulation model has given a satisfactory prediction of surface and adhesion energies and could provide more accurate results with the help of improved force fields. (C) 2012 Elsevier B. V. All rights reserved.
Publisher
ELSEVIER SCIENCE BV
Issue Date
2012-05
Language
English
Article Type
Article
Keywords

SELF-ASSEMBLED MONOLAYERS; TRIBOLOGICAL PROPERTIES; SILICA SURFACES; FORCE-FIELD; AB-INITIO; FABRICATION; FILMS; OCTADECYLTRICHLOROSILANE; NANOTRIBOLOGY; COMPONENTS

Citation

APPLIED SURFACE SCIENCE, v.258, no.14, pp.5438 - 5442

ISSN
0169-4332
DOI
10.1016/j.apsusc.2012.02.031
URI
http://hdl.handle.net/10203/98257
Appears in Collection
ME-Journal Papers(저널논문)
Files in This Item
There are no files associated with this item.
This item is cited by other documents in WoS
⊙ Detail Information in WoSⓡ Click to see webofscience_button
⊙ Cited 5 items in WoS Click to see citing articles in records_button

qr_code

  • mendeley

    citeulike


rss_1.0 rss_2.0 atom_1.0