Low-temperature nucleation rate calculations using the N-Fold way

We present a numerical study to determine nucleation rates for magnetization reversal within the Ising model (lattice gas model) in the low-temperature regime, a domain less explored in previous research. To achieve this, we implemented the N-Fold way algorithm, a well-established method for low-temperature simulations, alongside a novel, highly efficient cluster identification algorithm. Our method can access nucleation rates up to 50 orders of magnitude lower than previously reported results. We examine three cases: homogeneous pure system, system with static impurities, and system with mobile impurities, where impurities are defined as sites with zero interactions with neighboring spins (the spin value of impurities is set to 0). Classical nucleation theory holds across the entire temperature range studied in the paper, for both the homogeneous system and the static impurity case. However, in the case of mobile impurities, the umbrella sampling technique appears ineffective at low mobility values. These findings provide valuable insights into nucleation phenomena at low temperatures, contributing to theoretical and experimental understanding.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2025-03-28
DOI
https://doi.org/10.1063/5.0255066
Primary Topic
Theoretical and Computational Physics
Type
article
Field-Weighted Citation Impact
0.00

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article

Low-temperature nucleation rate calculations using the N-Fold way

David Quigley, Dipanjan Mandal, Federico Ettori
The Journal of Chemical Physics
Theoretical and Computational Physics
article

Low-temperature nucleation rate calculations using the N-Fold way

David Quigley, Dipanjan Mandal, Federico Ettori
article en

Abstract

We present a numerical study to determine nucleation rates for magnetization reversal within the Ising model (lattice gas model) in the low-temperature regime, a domain less explored in previous research. To achieve this, we implemented the N-Fold way algorithm, a well-established method for low-temperature simulations, alongside a novel, highly efficient cluster identification algorithm. Our method can access nucleation rates up to 50 orders of magnitude lower than previously reported results. We examine three cases: homogeneous pure system, system with static impurities, and system with mobile impurities, where impurities are defined as sites with zero interactions with neighboring spins (the spin value of impurities is set to 0). Classical nucleation theory holds across the entire temperature range studied in the paper, for both the homogeneous system and the static impurity case. However, in the case of mobile impurities, the umbrella sampling technique appears ineffective at low mobility values. These findings provide valuable insights into nucleation phenomena at low temperatures, contributing to theoretical and experimental understanding.

The Journal of Chemical PhysicsVol. 162(12)
University of L'Aquila (IT), University of Warwick (GB), Politecnico di Milano (IT)
Engineering and Physical Sciences Research Council
Openalex Percentile: Top 96%
Theoretical and Computational Physics
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