Symposium

M16: Predicting Interface Structure and Dynamics – From Atomic- to Meso-Scale

Belongs to:
TopicM: Modelling and Simulation

Grain boundaries and other interfaces exert a significant influence on the mechanical, physical, and chemical properties of polycrystalline materials. For better understanding of the complex structures and phenomena occurring at interfaces in materials during their manufacturing and service, it is essential to combine atomistic simulations with meso-scale or continuum modelling, as well as to employ data-driven approaches for uncovering the composition-structure-property relationships.

The purpose of this symposium is to explore and discuss application of theoretical tools that enable reliable simulations of realistically complex materials and their properties, with a strong focus on the structure formation and phase transitions at interfaces. Multi-scale and gap-bridging approaches that seek to bring together theoretical and experimental results are of particular importance. We invite contributions on the structure, dynamics, and thermodynamics of interfaces, as well as on their role in the property formation and evolution in metals, alloys, ceramics, multi-layered and composite materials.