Dynamic coupling between particle-in-cell and atomistic simulations

التفاصيل البيبلوغرافية
العنوان: Dynamic coupling between particle-in-cell and atomistic simulations
المؤلفون: Veske, Mihkel, Kyritsakis, Andreas, Sjobak, Kyrre Ness, Zadin, Vahur, Aabloo, Alvo, Djurabekova, Flyura
المصدر: Phys. Rev. E 101, 053307 (2020)
سنة النشر: 2019
المجموعة: Computer Science
مصطلحات موضوعية: Computer Science - Computational Engineering, Finance, and Science
الوصف: We propose a method to directly couple molecular dynamics, finite element method and particle-in-cell techniques to simulate metal surface response to high electric fields. We use this method to simulate the evolution of a field emitting tip under thermal runaway by fully including the 3D space-charge effects. We also present a comparison of the runaway process between the two tip geometries of different widths. The results show with high statistical significance that in case of sufficiently narrow field emitters, the thermal runaway occurs in cycles where intensive neutral evaporation alternates with the cooling periods. The comparison with previous works shows, that the evaporation rate in the regime of intensive evaporation is sufficient to ignite a plasma arc above the simulated field emitters.
Comment: 15 pages, 12 figures
نوع الوثيقة: Working Paper
DOI: 10.1103/PhysRevE.101.053307
URL الوصول: http://arxiv.org/abs/1906.08125
رقم الأكسشن: edsarx.1906.08125
قاعدة البيانات: arXiv
الوصف
DOI:10.1103/PhysRevE.101.053307