Effective diffusion in one-dimensional rough potential-energy landscapes
Diffusion in spatially rough, confining, one-dimensional continuous energy landscapes is treated using Zwanzig's proposal, which is based on the Smoluchowski equation. We show that Zwanzig's conjecture agrees with Brownian dynamics simulations only in the regime of small roughness. Our cor...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
2021
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/146566 |
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| Institution: | Nanyang Technological University |
| Language: | English |
| Summary: | Diffusion in spatially rough, confining, one-dimensional continuous energy landscapes is treated using Zwanzig's proposal, which is based on the Smoluchowski equation. We show that Zwanzig's conjecture agrees with Brownian dynamics simulations only in the regime of small roughness. Our correction of Zwanzig's framework corroborates well with numerical results. A numerical simulation scheme based on our coarse-grained Langevin dynamics offers significant reductions in computational time. The mean first-passage time problem in the case of random roughness is treated. Finally, we address the validity of the separation of length scales assumption for the case of polynomial backgrounds and cosine-based roughness. Our results are applicable to hierarchical energy landscapes such as that of a protein's folding and transport processes in disordered media, where there is clear separation of length scale between smooth underlying potential and its rough perturbation. |
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