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Article type: Research Article
Authors: Berghoff, Marcoa; * | Selzer, Michaela; b | Choudhury, Abhika | Nestler, Brittaa; b
Affiliations: [a] Institute of Applied Materials, Karlsruhe Institute of Technology, Karlsruhe, Germany | [b] Institute of Materials and Processes, Karlsruhe University of Applied Sciences, Karlsruhe, Germany
Correspondence: [*] Corresponding author: Marco Berghoff, Karlsruhe Institute of Technology, Institute of Applied Materials – Reliability of Components and Systems, Haid-und-Neu-Str. 7, 76131 Karlsruhe, Germany. Tel.: +49 721 608 45314; Fax: +49 721 925 2348; E-mail: marco.berghoff@kit.edu.
Abstract: We show simulation techniques that enable to computationally bridge from the atomistic up to the mesoscopic scale. To evaluate the efficiency, we use a phase-field method to simulate symmetric thermal dendrites and start the computation at an early stage of solidification related to nucleation. The early structures are taken from the molecular dynamics method. The proposed techniques allow to simulate three dimensional dendrites from the state of nuclei (≈ 50 Å) up to a size proportional to μ m where ternary side-arms start to grow.
Keywords: Efficient computational algorithms, phase-field, scale bridging, Hill tetrahedrons, dendrite growth
DOI: 10.3233/JCM-130476
Journal: Journal of Computational Methods in Sciences and Engineering, vol. 13, no. 5-6, pp. 441-454, 2013
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