# Interplay of fast and slow dynamics in rare transition pathways: the   disk-to-slab transition in the 2d Ising model

**Authors:** Clemens Moritz, Andreas Tr\"oster, Christoph Dellago

arXiv: 1705.05351 · 2017-08-11

## TL;DR

This paper demonstrates that understanding rare transitions in the 2D Ising model requires considering both free energy landscapes and the system's effective dynamics, highlighting the importance of dynamical information for accurate mechanistic insights.

## Contribution

It shows how combining free energy landscapes with state-dependent diffusion coefficients via a Smoluchowski equation improves understanding of rare transition mechanisms.

## Key findings

- Static free energy alone can be misleading for rare events.
- Dynamical information refines the understanding of transition pathways.
- Effective dynamics are essential for accurate rate calculations.

## Abstract

Rare transitions between long-lived stable states are often analyzed in terms of free energy landscapes computed as functions of a few collective variables. Here, using transitions between geometric phases as example, we demonstrate that the effective dynamics of a system along these variables are an essential ingredient in the description of rare events and that the static perspective provided by the free energy alone may be misleading. In particular, we investigate the disk-to-slab transition in the two-dimensional Ising model starting with a calculation of a two-dimensional free energy landscape and the distribution of committor probabilities. While at first sight it appears that the committor is incompatible with the free energy, they can be reconciled with each other using a two-dimensional Smoluchowski equation that combines the free energy landscape with state dependent diffusion coefficients. These results illustrate that dynamical information is not only required to calculate rate constants but that neglecting dynamics may also lead to an inaccurate understanding of the mechanism of a given process.

## Full text

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## Figures

24 figures with captions in the complete paper: https://tomesphere.com/paper/1705.05351/full.md

## References

53 references — full list in the complete paper: https://tomesphere.com/paper/1705.05351/full.md

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Source: https://tomesphere.com/paper/1705.05351