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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2402.08034 |
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| _version_ | 1866913233410981888 |
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| author | Yu, Qianran Julian, Nicholas Marian, Jaime Martinez, Enrique |
| author_facet | Yu, Qianran Julian, Nicholas Marian, Jaime Martinez, Enrique |
| contents | In this work we develop a stochastic algorithm to integrate the Cahn-Hilliard equations. The algorithm is based on Gillespie's stochastic simulation algorithm, also known as kinetic Monte Carlo. The deterministic integration of the phase field equations leads to the closest minimum of free energy and does not overcome free energy barriers. However, in the nucleation and growth regime of the phase diagram, free energy barriers need to be thermally overcome for the system to phase separate to reach equilibrium. We show in this work that the proposed stochastic integration algorithm indeed allows the system to overcome free energy barriers. We discuss the results in terms of fluctuation distributions, grid sizes and efficiency. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2402_08034 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Stochastic Integration of the Cahn-Hilliard Phase Field Equations Yu, Qianran Julian, Nicholas Marian, Jaime Martinez, Enrique Statistical Mechanics Mesoscale and Nanoscale Physics Materials Science In this work we develop a stochastic algorithm to integrate the Cahn-Hilliard equations. The algorithm is based on Gillespie's stochastic simulation algorithm, also known as kinetic Monte Carlo. The deterministic integration of the phase field equations leads to the closest minimum of free energy and does not overcome free energy barriers. However, in the nucleation and growth regime of the phase diagram, free energy barriers need to be thermally overcome for the system to phase separate to reach equilibrium. We show in this work that the proposed stochastic integration algorithm indeed allows the system to overcome free energy barriers. We discuss the results in terms of fluctuation distributions, grid sizes and efficiency. |
| title | Stochastic Integration of the Cahn-Hilliard Phase Field Equations |
| topic | Statistical Mechanics Mesoscale and Nanoscale Physics Materials Science |
| url | https://arxiv.org/abs/2402.08034 |