{"id":{"repo_id":"aachen","oai_identifier":"oai:publications.rwth-aachen.de:51236"},"canonical_url":"https://search.dev.ndltd.org/etd/aachen/oai:publications.rwth-aachen.de:51236","repository":{"repo_id":"aachen","name":"RWTH Aachen University","base_url":"https://publications.rwth-aachen.de/oai2d"},"display":{"title":"Efficient phase field simulations of multiple crystal orientations","abstract":"Numerical 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.","abstract_html":"Numerical 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. 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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."]},{"key":"dc:source","label":"Dc Source","values":["Aachen : Publikationsserver der RWTH Aachen University II, 96 S. (2009). = Aachen, Techn. Hochsch., Diss., 2009"]},{"key":"dc:title","label":"Title","values":["Efficient phase field simulations of multiple crystal orientations"]}]}],"canonical_facts":{"dc:contributor":["Emmerich, Heike"],"dc:coverage":["DE"],"dc:creator":["Hubert, Jürgen"],"dc:date":["2009"],"dc:description":["Numerical 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. 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