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

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

doi:10.1016/j.scriptamat.2021.114484

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

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

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7 Citations (SciVal)

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.

Original language	English
Article number	114484
Journal	Scripta Materialia
Volume	211
Early online date	9 Jan 2022
DOIs	https://doi.org/10.1016/j.scriptamat.2021.114484
Publication status	Published - 1 Apr 2022

Bibliographical note

Funding Information:
The authors would like to acknowledge the synchrotron X-ray beam time awarded by beamline I15 of Diamond Light Source (experimental No. EE20883-1); access to the University of Hull Supercomputer, Viper, and the technical support. Da Shu and Baode Sun also would like to acknowledge the financial support from the National Natural Science Foundation of China (Nos. U1832183 and 51821001). Shi Huang and Shifeng Luo also would like to acknowledge the financial support from the China Scholarship Council for their PhD study at University of Hull.

Funding

The authors would like to acknowledge the synchrotron X-ray beam time awarded by beamline I15 of Diamond Light Source (experimental No. EE20883-1); access to the University of Hull Supercomputer, Viper, and the technical support. Da Shu and Baode Sun also would like to acknowledge the financial support from the National Natural Science Foundation of China (Nos. U1832183 and 51821001). Shi Huang and Shifeng Luo also would like to acknowledge the financial support from the China Scholarship Council for their PhD study at University of Hull.

Keywords

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

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys

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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.",

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

author = "Shi Huang and Shifeng Luo and Ling Qin and Da Shu and Baode Sun and Lunt, {Alexander J.G.} and Korsunsky, {Alexander M.} and Jiawei Mi",

note = "Funding Information: The authors would like to acknowledge the synchrotron X-ray beam time awarded by beamline I15 of Diamond Light Source (experimental No. EE20883-1); access to the University of Hull Supercomputer, Viper, and the technical support. Da Shu and Baode Sun also would like to acknowledge the financial support from the National Natural Science Foundation of China (Nos. U1832183 and 51821001). Shi Huang and Shifeng Luo also would like to acknowledge the financial support from the China Scholarship Council for their PhD study at University of Hull. ",

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AU - Shu, Da

AU - Sun, Baode

AU - Lunt, Alexander J.G.

AU - Korsunsky, Alexander M.

AU - Mi, Jiawei

N1 - Funding Information: The authors would like to acknowledge the synchrotron X-ray beam time awarded by beamline I15 of Diamond Light Source (experimental No. EE20883-1); access to the University of Hull Supercomputer, Viper, and the technical support. Da Shu and Baode Sun also would like to acknowledge the financial support from the National Natural Science Foundation of China (Nos. U1832183 and 51821001). Shi Huang and Shifeng Luo also would like to acknowledge the financial support from the China Scholarship Council for their PhD study at University of Hull.

PY - 2022/4/1

Y1 - 2022/4/1

N2 - 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.

AB - 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.

KW - Aluminium-Scandium alloy, Synchrotron X-ray total scattering

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KW - In Operando Study of Solidification

KW - Liquid Atomic Structure

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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

Bibliographical note

Funding

Keywords

ASJC Scopus subject areas

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