Tension Amplification in Tethered Layers of Bottle-Brush Polymers
نویسندگان
چکیده
منابع مشابه
Molecular dynamics simulations of grafted layers of bottle-brush polyelectrolytes.
Using molecular dynamics simulations, we study the effect of the brush grafting density and degree of polymerization of the side chains on conformations of brush layers made of charged bottle-brush macromolecules. The thickness of the brush layer first decreases with increasing brush grafting density; then, it saturates and remains constant in the wide interval of the brush grafting densities. ...
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Obtaining reliable estimates of the statistical properties of complex macromolecules by computer simulation is a task that requires high computational effort as well as the development of highly efficient simulation algorithms. We present here an algorithm combining local moves, the pivot algorithm, and an adjustable simulation lattice box for simulating dilute systems of bottle-brush polymers ...
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Using molecular dynamics simulations, we study the lubricating properties of neutral and charged bottle-brush coatings as a function of the compression and shear stresses and brush grafting density. Our simulations have shown that in charged bottle-brush systems under shear there is a layer with excess counterions located in the middle between brush-bearing surfaces. The main deformation mode o...
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Interactions between tethered layers composed of aggrecan (charged bottle-brush) macromolecules are responsible for the molecular origin of cartilage biomechanical behavior. To elucidate the role of the electrostatic forces in interaction between bottle-brush layers, we have performed molecular dynamics simulations of charged and neutral bottle-brush macromolecules tethered to substrates. In th...
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ژورنال
عنوان ژورنال: Macromolecules
سال: 2016
ISSN: 0024-9297,1520-5835
DOI: 10.1021/acs.macromol.5b02305