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MONTE-CARLO SIMULATIONS; SINGLE POLYMER-CHAIN; SELF-AVOIDING WALKS; DENSITY-OF-STATES; POOR SOLVENTS; 3 DIMENSIONS; FORCE; ALGORITHM; SURFACES; MODEL

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Transitions Of Tethered Chain Molecules Under Tension, Jutta Luettmer-Strathmann, Kurt Binder Sep 2015

Transitions Of Tethered Chain Molecules Under Tension, Jutta Luettmer-Strathmann, Kurt Binder

Jutta Luettmer-Strathmann

An applied tension force changes the equilibrium conformations of a polymer chain tethered to a planar substrate and thus affects the adsorption transition as well as the coil-globule and crystallization transitions. Conversely, solvent quality and surface attraction are reflected in equilibrium force-extension curves that can be measured in experiments. To investigate these effects theoretically, we study tethered chains under tension with Wang-Landau simulations of a bond-fluctuation lattice model. Applying our model to pulling experiments on biological molecules we obtain a good description of experimental data in the intermediate force range, where universal features dominate and finite size effects are small. …