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Interfacial friction between semiflexible polymers and crystalline surfaces
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10.1063/1.4728106
/content/aip/journal/jcp/136/22/10.1063/1.4728106
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/22/10.1063/1.4728106
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

A schematic view of the Couette flow configuration with slip at the lower and upper walls. Steady shear flow is generated by the upper wall moving with a constant velocity U in the direction while the lower wall is at rest. The slip length and the slip velocity are related via , where is the shear rate computed from the slope of the velocity profile.

Image of FIG. 2.
FIG. 2.

Instantaneous positions of fluid monomers (open blue circles) and fcc wall atoms (filled gray circles) at equilibrium (i.e., both walls are at rest). Each monomer belongs to a polymer chain (N = 20) with the bending stiffness coefficient k θ = 2.5ɛ. Seven chains are indicated by thick solid lines and filled black circles. The fluid monomer density is ρ = 0.91σ−3 and the wall atom density is ρ w = 1.40 σ−3.

Image of FIG. 3.
FIG. 3.

The ensemble averaged , , and components of the radius of gyration R gx (▷), R gy (▽), R gz (◁), and the total radius of gyration R g (○) as a function of k θ for polymer chains (a) in contact with the solid walls and (b) in the bulk region. The simulations were performed at the constant fluid density ρ = 0.91σ−3 while both walls were at rest.

Image of FIG. 4.
FIG. 4.

The time autocorrelation function of the first normal mode Eq. (11) for polymer chains (a) in the bulk region and (b) near the walls for several values of the bending stiffness coefficient. The inset shows the relaxation time of polymer chains in the bulk.

Image of FIG. 5.
FIG. 5.

Averaged monomer density profiles near the lower stationary wall for the indicated values of the upper wall velocity U and ρ = 0.91σ−3. The bending stiffness coefficients are (a) k θ = 0.0ɛ and (b) k θ = 3.0ɛ. The left vertical axis at z = −12.29σ coincides with the fcc lattice plane in contact with the polymer melt. The vertical dashed line at z = −11.79σ denotes the location of the liquid-solid interface.

Image of FIG. 6.
FIG. 6.

Averaged normalized velocity profiles for the upper wall speeds (a) U = 0.005σ/τ and (b) U = 0.5σ/τ and bending stiffness coefficients k θ = 0.0ɛ (black lines), k θ = 2.0ɛ (red lines), and k θ = 3.0ɛ (blue lines). The vertical axes coincide with the location of the fcc lattice planes (at z/σ = −12.29 and 9.73). The vertical dashed lines (at z/σ = −11.79 and 9.23) indicate reference planes for computing the slip length.

Image of FIG. 7.
FIG. 7.

Temperature profiles across the channel for the indicated values of the upper wall velocity and bending stiffness coefficients (a) k θ = 0.0ɛ and (b) k θ = 3.0ɛ. The vertical axes denote the location of the fcc lattice planes (at z/σ = −12.29 and 9.73) in contact with fluid molecules. The dashed lines (at z/σ = −11.79 and 9.23) mark the position of the liquid-solid interface.

Image of FIG. 8.
FIG. 8.

Shear rate dependence of the polymer viscosity μ (in units of ɛτσ−3) for selected values of the bending stiffness coefficient. The dashed line indicates a slope of −0.37. Solid curves are a guide for the eye.

Image of FIG. 9.
FIG. 9.

Variation of the slip length L s /σ as a function of shear rate for the indicated values of the bending stiffness coefficient. The solid curves are drawn to guide the eye.

Image of FIG. 10.
FIG. 10.

Log-log plot of the friction coefficient k = σ xz /V 1 (in units of ɛτσ−4) as a function of the slip velocity of the first fluid layer V 1 (in units of σ/τ) for the tabulated values of the bending stiffness coefficient. The dashed curve is the best fit to Eq. (12) with k * = 1.88ɛτσ−4 and . The solid curves are guides for the eye.

Image of FIG. 11.
FIG. 11.

The normalized structure factor at the main reciprocal lattice vector G 1 = (7.23 σ−1, 0) (a), contact density (b), and temperature (c) of the first fluid layer as a function of the slip velocity V 1 (in units of σ/τ). The values of the bending stiffness coefficient are k θ = 0.0ɛ (○), k θ = 2.0ɛ (◁), and k θ = 3.0ɛ (▷).

Image of FIG. 12.
FIG. 12.

The structure factor (a), number of consecutive monomers per chain (b), and bond orientation (c) in the first fluid layer as a function of the slip velocity. The values of the bending stiffness coefficient are k θ = 0.0ɛ (○), k θ = 2.0ɛ (◁), and k θ = 3.0ɛ (▷). The data for S(G 1)/S(0) are the same as in Fig. 11 (a).

Image of FIG. 13.
FIG. 13.

Log-log plot of the inverse friction coefficient k −1 = V 1 xz (in units of σ4/ɛτ) as a function of S(0)/ [S(G 1) ρ c  σ3] computed in the first fluid layer. The values of the bending stiffness coefficient are tabulated in the inset. The dashed line y = 0.041 x 1.13 is taken from Ref. 42 and it is shown for reference.

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/content/aip/journal/jcp/136/22/10.1063/1.4728106
2012-06-11
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Interfacial friction between semiflexible polymers and crystalline surfaces
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/22/10.1063/1.4728106
10.1063/1.4728106
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