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Partial pair correlation functions and viscosity of liquid Al–Si hypoeutectic alloys via high-energy X-ray diffraction experiments

Prakash Srirangam, Manickaraj Jeyakumar, Mathew J. Kramer, Sumanth Shankar

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Abstract

The liquid structure of Al–Si hypoeutectic binary alloys was characterized by diffraction experiments using a high-energy X-ray (synchrotron) beam source. The diffraction experiments were carried out for liquid pure Al, Al–3 wt% Si, Al–7 wt% Si, Al–10 wt% Si and Al–12.5 wt% Si alloys at several temperatures. The salient structure information such as structure factor (SF), pair distribution function (PDF), radial distribution function (RDF), coordination number (CN) and atomic packing densities (PD) were quantified as a function of Si concentration and melt temperatures. Reverse Monte Carlo (RMC) analysis was carried out using the diffraction experimental data to quantify the partial pair correlation functions, such as partial structure factor, partial pair distribution function (PPDF) and partial radial distribution function. Furthermore, the partial pair distribution function and the liquid atomic structure information were used in a semi-empirical model to evaluate the viscosity of these liquid alloys at various melt temperatures. The results show that the viscosity determined by semi-empirical methods using the atomic structure information is in good agreement with the experimentally determined viscosity values.

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The liquid structure of Al–Si hypoeutectic binary alloys was characterized by diffraction experiments using a high-energy X-ray (synchrotron) beam source. The diffraction experiments were carried out for liquid pure Al, Al–3 wt% Si, Al–7 wt% Si, Al–10 wt% Si and Al–12.5 wt% Si alloys at several temperatures. The salient structure information such as structure factor (SF), pair distribution function (PDF), radial distribution function (RDF), coordination number (CN) and atomic packing densities (PD) were quantified as a function of Si concentration and melt temperatures. Reverse Monte Carlo (RMC) analysis was carried out using the diffraction experimental data to quantify the partial pair correlation functions, such as partial structure factor, partial pair distribution function (PPDF) and partial radial distribution function. Furthermore, the partial pair distribution function and the liquid atomic structure information were used in a semi-empirical model to evaluate the viscosity of these liquid alloys at various melt temperatures. The results show that the viscosity determined by semi-empirical methods using the atomic structure information is in good agreement with the experimentally determined viscosity values.

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Available abstract

The liquid structure of Al–Si hypoeutectic binary alloys was characterized by diffraction experiments using a high-energy X-ray (synchrotron) beam source. The diffraction experiments were carried out for liquid pure Al, Al–3 wt% Si, Al–7 wt% Si, Al–10 wt% Si and Al–12.5 wt% Si alloys at several temperatures. The salient structure information such as structure factor (SF), pair distribution function (PDF), radial distribution function (RDF), coordination number (CN) and atomic packing densities (PD) were quantified as a function of Si concentration and melt temperatures. Reverse Monte Carlo (RMC) analysis was carried out using the diffraction experimental data to quantify the partial pair correlation functions, such as partial structure factor, partial pair distribution function (PPDF) and partial radial distribution function. Furthermore, the partial pair distribution function and the liquid atomic structure information were used in a semi-empirical model to evaluate the viscosity of these liquid alloys at various melt temperatures. The results show that the viscosity determined by semi-empirical methods using the atomic structure information is in good agreement with the experimentally determined viscosity values.

Key concepts: Radial distribution function, Eutectic system, Pair distribution function, Structure factor, Reverse Monte Carlo, Diffraction, Distribution function, Viscosity

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