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Investigation of methyl methacrylate-oligomer adsorbed on grooved substrate of different aspect ratios by coarse-grained configurational-bias Monte Carlo simulation
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10.1063/1.3489661
/content/aip/journal/jcp/133/14/10.1063/1.3489661
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/14/10.1063/1.3489661

Figures

Image of FIG. 1.
FIG. 1.

Structural-based model of a MMA-oligomer chain.

Image of FIG. 2.
FIG. 2.

Probability distribution of the lengths and angles between beads. (a) Bond length and (b) bond angle.

Image of FIG. 3.
FIG. 3.

Comparison of radial distribution function from CBMC simulation with that from MD simulation.

Image of FIG. 4.
FIG. 4.

Diagram of the present simulation model.

Image of FIG. 5.
FIG. 5.

Morphologies of MMA-oligomers adsorbed on the grooved substrate with different widths. The substrate is omitted, (a) , (b) , (c) , (d) , and (e) .

Image of FIG. 6.
FIG. 6.

Orientational order parameter of MMA-oligomers adsorbed on the grooved substrate.

Image of FIG. 7.
FIG. 7.

Variation of orientational order parameter for type 1 oligomers within different width grooves at different attractive energies.

Image of FIG. 8.
FIG. 8.

Morphologies of MMA-oligomers adsorbed on the grooved substrate with different depths. The substrate is omitted, (a) , (b) , (c) , (d) , and (e) .

Image of FIG. 9.
FIG. 9.

Variation of orientational order parameter for type 1 oligomers in groove widths of 20 and 35 Å.

Image of FIG. 10.
FIG. 10.

Number of MMA-oligomers at different groove depths at different interaction strengths.

Tables

Generic image for table
Table I.

Bound fraction probability for type 1 oligomers within different groove widths for different substrate/MMA-oligomer interaction strengths.

Generic image for table
Table II.

Bound fraction probability for type 1 oligomers at different groove depths for different substrate/MMA-oligomer interaction strengths.

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/content/aip/journal/jcp/133/14/10.1063/1.3489661
2010-10-14
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Investigation of methyl methacrylate-oligomer adsorbed on grooved substrate of different aspect ratios by coarse-grained configurational-bias Monte Carlo simulation
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/14/10.1063/1.3489661
10.1063/1.3489661
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