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http://hdl.handle.net/11375/13989
Title: | Modelling Rapid Solidification Using Atomistic and Continuum Methods |
Authors: | Humadi, Harith |
Advisor: | Provatas, Nikolas Hoyt, Jeff J. Zurob, Hatem |
Department: | Materials Science and Engineering |
Keywords: | Rapid Solidification;Computational Engineering;Metallurgy;Other Materials Science and Engineering;Computational Engineering |
Publication Date: | Apr-2014 |
Abstract: | <p>Free solidification molecular dynamics simulations were used to study solute trapping behaviour in the Ni-Cu alloy system. The segregation coefficient, K, as a function of crys- tallization rate was compared with several theories of trapping and, in agreement with a model proposed by Sobolev, it was found that complete trapping (K=1) occurs at a finite velocity. In order to gain further insight into the thermodynamic and kinetic factors affect- ing solute trapping, forced velocity phase field crystal (PFC) simulations were performed on a model binary alloy. We find that the complete trapping limit only occurs if a com- bination of wave-like and diffusive dynamics equation of motion of the PFC alloy model. Finally, an amplitude expansion analysis of the PFC formulation for constant velocity so- lidification was performed and an analytic expression for the complete trapping limit and solute drag was obtained.</p> |
URI: | http://hdl.handle.net/11375/13989 |
Identifier: | opendissertations/8822 9904 5312214 |
Appears in Collections: | Open Access Dissertations and Theses |
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