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TMS 2018: Magnesium Technology 2018 pp 55–62Cite as

Surface and Interfacial Energies of Mg17Al12–Mg System

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Part of the book series: The Minerals, Metals & Materials Series ((MMMS))

Abstract

For upscale simulation and modeling of magnesium alloys, data of surface and interfacial energies are critical. In this work, we calculated the surface energies of Mg17Al12 β-phase with different surface configurations by using molecular dynamic simulations. Surface terminations were carefully selected to calculate the energy of β-phase. The lowest energy surface for each crystallographic plane was determined by varying the surface termination. The results show that surfaces occupied by higher fraction of magnesium atoms generate lower surface energies. The interfacial energy for Mg17Al12 β-phase and Mg matrix was calculated as well based on the Burger’s orientation relationship. We found that the lowest energy surface of Mg17Al12 does not generate the lowest interfacial energy. The interfacial energy for Mg17Al12 β-phase and a \( \left\{ {10\bar{1}2} \right\} \) twin was also calculated. The interfacial energy increases by ~250 mJ/m2 due to the change in orientation relationship between Mg17Al12 and the matrix after twinning.

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Acknowledgements

Bin Li gratefully thanks support from the U.S. National Science Foundation (CMMI-1635088).

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Authors and Affiliations

  1. Department of Chemical and Materials Engineering, University of Nevada, Reno, NV, 89557, USA

    Fangxi Wang & Bin Li

Authors
  1. Fangxi Wang
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  2. Bin Li
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Corresponding author

Correspondence to Fangxi Wang .

Editor information

Editors and Affiliations

  1. Lund University, Lund, Sweden

    Dmytro Orlov

  2. Pacific Northwest National Laboratory, Richland, Washington, USA

    Vineet Joshi

  3. Arizona State University, Tempe, Arizona, USA

    Kiran N. Solanki

  4. IND LLC, South Jordan, Utah, USA

    Neale R. Neelameggham

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Wang, F., Li, B. (2018). Surface and Interfacial Energies of Mg17Al12–Mg System. In: Orlov, D., Joshi, V., Solanki, K., Neelameggham, N. (eds) Magnesium Technology 2018. TMS 2018. The Minerals, Metals & Materials Series. Springer, Cham. https://doi.org/10.1007/978-3-319-72332-7_10

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