BROWNIAN DYNAMICS SIMULATION OF CATCH TO SLIP TRANSITION OVER A MODEL ENERGY LANDSCAPE

Abstract

We perform Brownian dynamics simulation (BDS) of catch to slip transition over a model energy landscape. Through our BDS we demonstrate that for forces below the critical force the bond rupture occurs mostly through the catch pathway while for forces above the critical force the bond rupture occurs mostly through the slip pathway. We also demonstrate that the shoulder in the bond rupture force distribution switches to peak as the loading rate increases progressively and the bond lifetime is maximized at the model dependent critical force. The force dependent bond lifetime obtained via transforming the bond rupture force distribution at a given loading rate is in excellent agreement with that obtained from our BDS at constant forces. An alternative to the current mechanism of catch to slip transition is presented and validated through BDS.