2012/10/31 by Nana Ofori-Opoku, Vahid Fallah, Michael Greenwood +2 · 1 citation
Chemistry · Earth and Planetary Sciences · Engineering · Materials Science · Physics and Astronomy · #Aluminum Alloy Microstructure Properties #Chemistry #Component (thermodynamics) #Computer science #Crystal structure #Crystallography #Formalism (music) #Materials science #Physics #Solidification and crystal growth phenomena #Statistical physics #Ternary operation #Thermodynamics #cond-mat.mtrl-sci #nanoparticles nucleation surface interactions
paper · pdf · doi:10.1103/physrevb.87.134105
14 pages, 5 figures
arxiv created 2012/10/31 · openalex publication_date 2013/04/17 · arxiv updated 2015/06/12 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
We present a phase-field crystal model for structural transformations in multicomponent alloys. The presented formalism builds upon the two-point correlation kernel developed in Greenwood et al. for describing structural transformations in pure materials [Greenwood, Provatas, and Rottler, Phys. Rev. Lett. 105, 045702 (2010)]. We introduce an effective two-point correlation function for multicomponent alloys that uses the local species concentrations to interpolate between different crystal structures. A simplified version of the model is derived for the particular case of three-component (ternary) alloys, and its equilibrium properties are demonstrated. Dynamical equations of motion for the density and multiple species concentration fields are derived, and the robustness of the model is illustrated with examples of complex microstructure evolution in dendritic and eutectic solidification and solid-state precipitation.