Efficient atomistic approaches to thermodynamic quantities for solid-liquid equilibria in alloys

Two important thermodynamic quantities are bulk solid and liquid free-energy as a function of composition G(x) and the solid-liquid interfacial free-energy γsl. For both, an accurate determination is required for modelling crystallisation and melting processes. In this thesis, I combine statistical...

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Bibliographic Details
Main Author: Angioletti-Uberti, Stefano
Other Authors: Lee, Peter
Published: Imperial College London 2010
Subjects:
Online Access:http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.522884