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85037231495
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As far as single-chain dynamics is concerned, recent numerical studies using molecular dynamics c4, c5 reveal that diffusion of long chains cannot always be modeled as a single segment jumps from one site to another
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As far as single-chain dynamics is concerned, recent numerical studies using molecular dynamics 45 reveal that diffusion of long chains cannot always be modeled as a single segment jumps from one site to another.
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24
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85037197526
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For the attractive cases, the chain configurations at coverages close to unity freeze into a glassy state and thus it becomes practically impossible to study diffusion with the present model
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For the attractive cases, the chain configurations at coverages close to unity freeze into a glassy state and thus it becomes practically impossible to study diffusion with the present model.
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25
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85037180218
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[Formula Presented] [Formula Presented] [Formula Presented]; and [Formula Presented], For the cases [Formula Presented], [Formula Presented] we used the fitting function [Formula Presented] and for [Formula Presented] we used [Formula Presented]. The corresponding parameters for the end segments for the cases [Formula Presented], [Formula Presented], [Formula Presented] were [Formula Presented], [Formula Presented], [Formula Presented]; and [Formula Presented], respectively. The corresponding parameters for midsegments were [Formula Presented]
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For the cases J=0 and J=-0.5 we used the fitting function c1-c2tanh[c3(c4-θ)] and for J=-1.0 we used c1(1-c2θc3). The corresponding parameters for the end segments for the cases J=0, J=-0.5, and J=-1.0 were c1=14.7, c2=14.4, c3=3.1, c4=0.39; c1=15.4, c2=16.5, c3=2.4, c4=0.35; and c1=26.9, c2=1.1, c3=0.71, respectively. The corresponding parameters for midsegments were c1=3.9, c2=3.4, c3=2.9, c4=0.56; c1=3.8, c2=3.5, c3=2.6, c4=0.56; and c1=7.0, c2=0.92, c3=1.1.
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29
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85037215889
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The fact that direct repulsive interactions between pointlike particles typically cause [Formula Presented] to increase as a function of [Formula Presented] is well documented in the literature; see, e.g., Refs. c1, c2
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The fact that direct repulsive interactions between pointlike particles typically cause DC(θ) to increase as a function of θ is well documented in the literature; see, e.g., Refs. 12.
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