Publikationsserver der RWTH Aachen University
Efficient phase field simulations of multiple crystal orientations
Abstract
dc:descriptionNumerical simulations of crystals with multiple crystal orientations have become the subject of intense interest in the last decade, as a vast range of industrial materials - from polycrystals to nanoparticles - falls into that category. In this work, I present several detailed studies which examine the potential of three different phase-field models for such systems. First, I expand an existing coupled phase-field/Monte Carlo approach [H. Assadi, A Phase-Field Model for Crystallization into Multiple Grain Structures, in Solidification and Crystallization (2004), ed. by D. Herlach] to eliminate lattice effects and use it to simulate crystal growth competition in veins. Secondly, I propose a new model for the growth of metal nanoparticles in ionic liquids based on a classical phase-field model [Wheeler et al., Phys. Rev. A 45 (1992) 7424] and use it in combination with the extended Monte Carlo algorithm developed earlier for some first qualitative studies. Next, I use the newly introduced phase-field crystal method [K. R. Elder et al., Phys. Rev. Lett. 88 (2002) 235702-2 ] to investigate the correlation between thermal noise and nucleation rates, which will be of use in future nucleation studies - including the nanoparticle growth described earlier. Finally, I discuss the parallels between the three different models and how to combine the knowledge gained from them in future studies of nonlinear systems.
Degree
thesis:*- Grantor dc:publisher
- Publikationsserver der RWTH Aachen University
- Year dc:date
- 2009
Author and committee
dc:creator, dc:contributor.*- Author dc:creator
-
- Hubert, Jürgen
- Contributors dc:contributor
-
- Emmerich, Heike
Subjects
dc:subject × 10Rights
dc:rights- Statement dc:rights
-
- info:eu-repo/semantics/openAccess
- Language dc:language
- eng