N. Advances in methodologies for understanding disorder and kinetics in complex materials

Keynote speakers:

Izabela Szlufarska  University of Wisconsin-Madison, USA
Ting Zhu Georgia Institute of Technology, USA
Jaime Marian University of California Los Angeles, USA
Michael Falk Johns Hopkins University, USA
Liang Qi University of Michigan, USA

Complex alloys, including both structurally disordered metallic glasses and chemically disordered multi-princple element alloys, have received considerable attention because they provide a broad range of opportunities for property control, and have found applications in structural materials, damage resistance, and other functionalities such as catalysis, and magnetism. However, a fundamental and predictive understanding of disorder, local order, kinetics, and behaviors is lacking mainly due to atomic-level disordered features. This symposium focuses on computational efforts, which promote the development of new concepts and methodologies for describing glassy materials and high entropy alloys with different processing histories and at various external stimuli conditions. The roles of short to medium-range order, structural and property heterogeneities, aging/rejuvenation phenomena, deformation mechanisms, thermodynamics and kinetics, and coupled extreme conditions will be of particular focus.

The symposium covers the following topics:

  • Modeling algorithms, including machine learning, long timescale atomistic simulation, mesoscale modeling, kinetic Monte Carlo
  • Short- to medium-range orders in topology and chemistry, thermodynamics, kinetics, structure-property relationship for metallic glasses, and high entropy alloys
  • Mechanical behaviors and deformation mechanisms, including viscoplasticity, elasticity, shear banding, fracture, nano-twinning, stacking fault, strain hardening, shear softening.
  • Non-equilibrium dynamics under complex or extreme driving conditions, such as irradiation and extreme temperatures

Symposium organizers:

Shigenobu Ogata  Osaka University, Japan
Penghui Cao  University of California, Irvine, USA
Yue Fan University of Michigan, Ann Arbor, USA