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

作者：Huang, Shi; Luo, Shifeng; Qin, Ling; Shu, Da; Sun, Baode; Lunt, Alexander J. G.; Korsunsky, Alexander M.; Mi, Jiawei^*

来源：Scripta Materialia, 2022, 211: 114484.

DOI：10.1016/j.scriptamat.2021.114484

• Aluminium-Scandium alloy Synchrotron
• X-ray total scattering
• Empirical Potential Structure Refinement
• Liquid Atomic Structure
• In Operando Study of Solidification

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 degrees C to 657 degrees 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 L1(2) Al3Sc primary phases in the liquidsolid coexisting state.

• 单位
  上海交通大学; 6