Structure–property predictions in metallic glasses: Insights from data-driven atomistic simulations

Journal of materials research/Pratt's guide to venture capital sources, vol. 40, pp. 36–68

Abstract

Abstract The field of metallic glasses has been an active area of research owing to the complex structure–property correlations and intricacies surrounding glass formation and relaxation. This review provides a thorough examination of significant works that elucidate the structure–property correlations of metallic glasses, derived from detailed atomistic simulations coupled with data-driven approaches. The review starts with the theoretical and fundamental framework for understanding important properties of metallic glasses such as transition temperatures, relaxation phenomena, the potential energy landscape, structural features such as soft spots and shear transformation zones, atomic stiffness and structural correlations. The need to understand these concepts for leveraging metallic glasses for a wide range of applications such as performance under tensile loading, viscoelastic properties, relaxation behavior and shock loading is also elucidated. Finally, the use of machine learning algorithms in predicting the properties of metallic glasses along with their applications, limitations and scope for future work is presented. Graphical abstract

Authors 6

1. Gokul Raman Arumugam Kumar

   Indian Institute of Technology Gandhinagar

   Affiliation as printed

   Department of Materials Engineering, Indian Institute of Technology Gandhinagar, Gandhinagar, 382355, India

2. Manish Aggarwal

   AspenTech (United States)

   Affiliation as printed

   Aspen Technology, Inc., Bedford, MA, 01730, USA

3. S. Swayamjyoti Aachen Institute of General Mechanics

   RWTH Aachen University

   Affiliation as printed

   Institute of General Mechanics, RWTH Aachen University, 52062, Aachen, Germany

4. Param Punj Singh

   Indian Institute of Technology Gandhinagar

   Affiliation as printed

   Department of Materials Engineering, Indian Institute of Technology Gandhinagar, Gandhinagar, 382355, India

5. Kisor Kumar Sahu

   Indian Institute of Technology Bhubaneswar

   Affiliation as printed

   School of Minerals, Metallurgical and Materials Engineering, Indian Institute of Technology Bhubaneswar, Argul, 752050, India

6. Raghavan Ranganathan corresponding

   Indian Institute of Technology Gandhinagar

   Affiliation as printed

   Department of Materials Engineering, Indian Institute of Technology Gandhinagar, Gandhinagar, 382355, India