## Abstract

Activated processes are frequently found in solid state mechanics. The energy landscape of such processes show a non-convex behaviour, and therefore the computation of energy barriers between two stable minima is of importance. Such barriers are revealed by computing minimum energy paths. The string method is a simple and efficient algorithm to move curves over an energy landscape and to identify minimum energy paths.

A hierarchical two-scale model recently introduced to the literature (molecular dynamics coupled with the finite element method) is used in this paper to investigate the string method in a model phase transition in a copper single crystal. To do so, bi-stable elements are constructed and the energetic behaviour of a two-elements chain is investigated. We identify successfully the minimum energy path between two local stable minima of the chain and demonstrate thereby the performance of the string method applied to a complex multiscale model.

A hierarchical two-scale model recently introduced to the literature (molecular dynamics coupled with the finite element method) is used in this paper to investigate the string method in a model phase transition in a copper single crystal. To do so, bi-stable elements are constructed and the energetic behaviour of a two-elements chain is investigated. We identify successfully the minimum energy path between two local stable minima of the chain and demonstrate thereby the performance of the string method applied to a complex multiscale model.

Originalsprache | englisch |
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Seiten (von - bis) | 557–558 |

Fachzeitschrift | Proceedings in Applied Mathematics and Mechanics |

Jahrgang | 16 |

Ausgabenummer | 1 |

DOIs | |

Publikationsstatus | Veröffentlicht - 2016 |

Veranstaltung | 2016 Joint Annual Meeting of GAMM and DMV - Braunschweig Dauer: 7 März 2016 → 11 März 2016 |

## Fields of Expertise

- Advanced Materials Science

## Treatment code (Nähere Zuordnung)

- Basic - Fundamental (Grundlagenforschung)
- Theoretical