Condensed Matter and Materials Physics(DCMMP)
Physique de la matière condensée et des matériaux (DPMCM)

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Gary SLATER
Université d'Ottawa

Single-Molecule Polymer Physics: The Role of Molecular Dynamics Simulations

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Molecular Dynamics (MD) computer simulations can help us understand most single-molecule problems currently under investigation in experimental polymer physics. One of the great advantages of MD simulations is that they include both hydrodynamics and excluded volume interactions, two effects that are not easily dealt with using theoretical models, especially in non-equilibrium and non-steady-state situations. In this presentation, I will discuss three different problems that we have studied using this powerful computational tool: 1) the deformation of a polymer pulled at constant velocity in a tube; 2) the cyclic motion of a polymer chain attached to a wall and subjected to a strong shear flow; 3) the collision between a polymer and a post in a microfluidic system.

In collabaration with: M. Kenward Université d'Ottawa,Y. Gratton Université d'Ottawa,S. Hubert Université d'Ottawa.