Exploring the dynamics of dimer crossing over a Kramers type potential.
نویسندگان
چکیده
We explore the escape rate of a dimer crossing a potential barrier using both analytical and numerical approaches. We find that for small coupling strength k, the barrier hopping can be well approximated by a two step reaction scheme where one monomer hops over the barrier and is then followed by the other. In this regime the escape rate increases with k showing that the cooperativity between monomers enhances the crossing rate. However, in the limit of large coupling strength, applying the method of adiabatic elimination, we find that the escape rate is a decreasing function of k. Thus, we find that the escape rate is a non-monotonic function of the spring constant which is peaked at an optimal coupling strength. Furthermore, in the presence of a weak periodic signal, we show that the system response to the periodic signal is pronounced at a particular spring constant showing the dimer can be transported rapidly across the reaction coordinate in a half period.
منابع مشابه
Barrier crossing of a semiflexible ring polymer.
Motivated by the dynamics of a membrane in response to an external force, we study the thermally activated crossing of a semiflexible ring polymer over a potential barrier. For the bistable potential of Kramers type smoothly varying over a long length scale, we calculate the crossing rate using the multidimensional Kramers' rate theory and the functional integral method. We find that, due to it...
متن کاملEscape Rates of Externally Confined Polymers
Aalto University, P.O. Box 11000, FI-00076 Aalto www.aalto.fi Author Harri Mökkönen Name of the doctoral dissertation Escape Rates of Externally Confined Polymers: Publisher School of Science Unit Department of Applied Physics Series Aalto University publication series DOCTORAL DISSERTATIONS 143/2016 Field of research Theoretical and computational physics Manuscript submitted 17 May 2016 Date o...
متن کاملPolymer escape from a metastable Kramers potential: path integral hyperdynamics study.
We study the dynamics of flexible, semiflexible, and self-avoiding polymer chains moving under a Kramers metastable potential. Due to thermal noise, the polymers, initially placed in the metastable well, can cross the potential barrier, but these events are extremely rare if the barrier is much larger than thermal energy. To speed up the slow rate processes in computer simulations, we extend th...
متن کاملQuantum Kramers equation for energy diffusion and barrier crossing dynamics in the low-friction regime.
Based on a true phase space probability distribution function and an ensemble averaging procedure we have recently developed [Phys. Rev. E 65, 021109 (2002)] a non-Markovian quantum Kramers equation to derive the quantum rate coefficient for barrier crossing due to thermal activation and tunneling in the intermediate to strong friction regime. We complement and extend this approach to weak fric...
متن کاملApproach to quantum Kramers' equation and barrier crossing dynamics.
We have presented a simple approach to quantum theory of Brownian motion and barrier crossing dynamics. Based on an initial coherent state representation of bath oscillators and an equilibrium canonical distribution of quantum-mechanical mean values of their co-ordinates and momenta we have derived a c number generalized quantum Langevin equation. The approach allows us to implement the method ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 136 2 شماره
صفحات -
تاریخ انتشار 2012