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Recent progress in understanding high temperature dynamical properties and fragility in metallic liquids, and their connection with atomic structure

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Abstract

The advent of containerless processing techniques has opened the possibility of high quality measurements of equilibrium and metastable liquids. This review focuses on the structure and dynamics of metallic liquids at high temperature. A clear connection between structure, viscosity, and fragility has emerged from recent containerless experiments and molecular dynamics simulation studies. The temperature-dependent changes of liquid structures are smaller for the stronger liquids. The onset of cooperativity usually occurs above the liquidus temperature at a characteristic temperature TA, where the dynamics change from Arrhenius to non-Arrhenius behavior; this is accompanied by the onset of development of more spatially extended structural order in the liquids. Several metrics for fragility, consistent with the traditional fragility parameter, can be developed from the structural and dynamical properties at high temperature. It is becoming increasingly evident from theory and experiments that the fundamental properties that determine fragility are the repulsive part of the interatomic potential and the anharmonicity.

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ACKNOWLEDGMENTS

This work would not have been possible without the valuable contributions of many past and present students and collaborators. We gratefully acknowledge the painstaking work of the present students, Robert Ashcraft, Rongrong Dai, Daniel Van-Hoesen, and Mark Sellers. Among the past students, many significant contributions were made by Drs. Chris Pueblo, Mark Johnson, Matthew Blodgett, Adam Vogt, James Bendert, Nicolas Mauro, Victor Wessells, Tae-ho Kim, and Geun Woo Lee. The collaborative team of Drs. Nick Weingartner and Ryan Sokolaski and Professors Lee Yang, Zohar Nussinov, Minhua Suen and Takeshi Egami has made many important contributions in MD and theoretical studies that have improved our understanding. Drs. Doug Robinson, Jan Rogers, and Professor Robert Hyers have provided technical and logistical support for the ESL and synchrotron studies. The work was partially supported by NASA under Grants Nos. NNX10AU19G and NNX16AB52G and the NSF under Grant Nos. DMR 15-06553 and DMR 12-06707. Use of the Advanced Photon Source was supported by the US Department of Energy, Basic Energy Science, Office of Science, under Contract No. DE-AC02-06CH11357. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation or of NASA.

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  1. Department of Physics and Institute of Materials Science & Engineering, Washington University in St. Louis, St. Louis, Missouri, 63130, USA

    A. K. Gangopadhyay & K. F. Kelton

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Gangopadhyay, A.K., Kelton, K.F. Recent progress in understanding high temperature dynamical properties and fragility in metallic liquids, and their connection with atomic structure. Journal of Materials Research 32, 2638–2657 (2017). https://doi.org/10.1557/jmr.2017.253

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