K. Multiscale insights into high and medium entropy alloys: From atomistic calculations to macroscopic applications

Keynote speakers:

Rodrigo Freitas Massachusetts Institute of Technology, USA
Xi Zhang University of Stuttgart, Germany
Penghui Cao University of California - Irvine, USA
Jörg Neugebauer Max-Planck-Institut für Eisenforschung, Germany
Enrique Martinez Clemson University, USA
Cem Tasan Massachusetts Institute of Technology, USA
Yunzhi Wang Ohio State University, USA

In the dynamic sphere of materials science, high and medium entropy alloys (HEAs and MEAs) are emerging as a frontier of innovation, promising unprecedented combinations of properties and a plethora of potential applications. These materials, with their intricate compositional intricacies, demand advanced multiscale modeling techniques to decode their inherent behaviors and spearhead groundbreaking advancements in the field.

This symposium is designed to be a melting pot of ideas, fostering a collaborative and interdisciplinary platform where seasoned experts, budding researchers, and industry enthusiasts can come together to discuss the cutting-edge developments in the multiscale modeling of HEAs and MEAs. Leveraging the diverse expertise of our organizers, the symposium will delve deep into atomistic simulations, unraveling phase transformations and exploring the mechanical properties of these alloys, with a special emphasis on their behavior in harsh environments. Our goal is to ignite discussions that can shape the future direction of research in this arena, bridging theoretical insights with practical, real-world applications, and fostering collaborations that could lead to new discoveries and technological innovations.

The symposium covers the following topics:

  • Atomistic Simulations and Modeling: This focused session will delve into the role and advancements of atomistic simulation models, including ab initio calculations, molecular dynamics, and kinetic Monte Carlo methods, in understanding and predicting the properties and behaviors of high and medium entropy alloys (HEAs and MEAs)
  • Mechanical Properties: A comprehensive exploration of the mechanical properties of HEAs and MEAs integrating insights from material mechanics and computational approaches
  • Behavior in Harsh Environments: Detailed analysis of material behavior under extreme conditions, focusing on radiation effects, thermal stability, and more.
  • Bridging Scales: A critical discourse on transitioning from atomistic insights to macroscopic properties and applications, fostering a dialogue between theory and practice.
  • Data-Driven Approaches and Machine Learning: Integrating data analytics and machine learning to accelerate research and discovery in the field of HEAs and MEAs, with a spotlight on predictive modeling and simulations.

Symposium organizers:

Ju Li Massachusetts Institute of Technology, USA
Jan S. Wróbel Warsaw University of Technology, Poland
Amin Esfandiarpour National Center of Nuclear Research, Poland
Francesco Maresca University of Groningen, Netherlands
Fritz Koermann Max–Planck–Institut für Eisenforschung, Germany