@article { , title = {3D local atomic structure evolution in a solidifying Al-0.4Sc dilute alloy melt revealed in operando by synchrotron X-ray total scattering and modelling}, abstract = {Using synchrotron X-ray total scattering and empirical potential structure refinement modelling, we studied systematically in operando condition the disorder-to-order local atomic structure transition in a pure Al and a dilute Al-0.4Sc alloy melt in the temperature range from 690 °C to 657 °C. In the liquid state, icosahedral short-range ordered Sc-centred Al polyhedrons form and most of them with Al coordination number of 10–12. As the melt is cooled to the semisolid state, the most Sc-centred polyhedrons become more connected atom clusters via vertex, edge and face-sharing. These polyhedrons exhibit partially icosahedral and partially face-centred-cubic symmetry. The medium-range ordered Sc-centred clusters with face-sharing are proved to be the “precursors” of the L12 Al3Sc primary phases in the liquid-solid coexisting state.}, doi = {10.1016/j.scriptamat.2021.114484}, issn = {1359-6462}, journal = {Scripta Materialia}, publicationstatus = {Published}, publisher = {Elsevier}, url = {https://hull-repository.worktribe.com/output/3910489}, volume = {211}, keyword = {High Performance Computing (Hull Viper), Specialist Research - Other, Aluminium-Scandium alloy, Synchrotron X-ray total scattering, Empirical Potential Structure Refinement, Liquid Atomic Structure, In Operando Study of Solidification}, year = {2022}, author = {Huang, Shi and Luo, Shifeng and Qin, Ling and Shu, Da and Sun, Baode and Lunt, Alexander J G and Korsunsky, Alexander M and Mi, Jiawei} }