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A Comprehensive Investigation on the Microstructure and Thermal Conductivity of CaO-Al2O3 Based Mold Slags: Equilibrium Molecular Dynamics Simulations

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Abstract

The microstructure and thermal conductivity of the CaO-Al2O3-based (CA-based) mold slags are crucial for casting high aluminum steel. Herein, the microstructure and thermal conductivity of the CA-based mold slags were systematically investigated by using molecular dynamics (MD). Moreover, the effects of the CaO/Al2O3 mole (C/A) ratio and CaO/SiO2 mole (C/S) ratio on the microstructure and thermal conductivity of CA-based mold slags were studied. The results showed that the Al-O structure plays a skeleton role in the CA-based mold slags. The thermal conductivity of molten CA-based mold slags increases first and then decreases with increasing C/A ratio. The thermal conductivity of molten CaO-Al2O3-SiO2-MgO-Na2O (CASMN) slag is affected by the combination of short- and medium-range order structures.

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Acknowledgments

This study was funded by the Graduate Scientific Research and Innovation Foundation of Chongqing, China (Grant Number CYB19002), and the National Natural Science Foundation of China (Grant Number 51574050).

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Authors and Affiliations

  1. College of Materials Science and Engineering, Chongqing University, Chongqing, 400044, China

    Zhe Wang, Guanghua Wen, Qiang Liu, Ping Tang & Wenbo Jiang

  2. State Key Laboratory of Mechanical Transmission, Chongqing University, Chongqing, 400044, China

    Zhe Wang, Guanghua Wen, Qiang Liu, Ping Tang, Wenbo Jiang & Shuheng Huang

  3. College of Bioengineering, Chongqing University, Chongqing, 400044, China

    Shuheng Huang

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Correspondence to Guanghua Wen or Shuheng Huang.

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Manuscript submitted August 3, 2020; accepted February 21, 2021.

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Wang, Z., Wen, G., Liu, Q. et al. A Comprehensive Investigation on the Microstructure and Thermal Conductivity of CaO-Al2O3 Based Mold Slags: Equilibrium Molecular Dynamics Simulations. Metall Mater Trans B 52, 1574–1581 (2021). https://doi.org/10.1007/s11663-021-02124-7

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