3.4: Theoretical and Computational Advances in Modeling Materials Across Scales

Organizers:

  • Swarnava Ghosh, Oak Ridge National Laboratory
  • Phanish Suryanarayana, Georgia Institute of Technology
  • Juan Pedro Mendez Granado, Sandia National Laboratory
  • Mauricio Ponga, University of British Columbia
  • Nikhil Chandra Admal, University of Illinois Urbana-Champaign

Description:

Multiscale modeling of materials has attracted researchers’ attention due to their critical role in determining the behavior of materials. This symposium seeks to bring together researchers working on novel areas of modeling and simulation of materials across scales — from the nano- to the micro-scales. The contributions welcomed in this symposium focus on modeling and simulation of nano- meso- and micro-mechanics of materials, including but not limited to atomistic simulations (such as those performed with atomistic potentials, molecular dynamics), electronic structure calculations (such as density functional theory), micro-mechanics models (such as phase field, dislocation dynamics, crystal plasticity), statistical mechanics, and the combination of these models with novel approaches such as multiscale and multiphysics modeling, Artificial Intelligence, Machine Learning and data-driven approaches. Research results on the fundamental understanding of response of materials to magnetic or electric fields, temperature and light, deformation mechanisms in materials, actuation of materials, novel computational approaches, numerical implementations aspects, and application of established computational frameworks are welcome. Applications of such methods to a wide range of materials are also welcome, including crystalline (metals and alloys), amorphous (glassy), and soft materials (such as polymers and liquid crystal elastomers).


Topics of interest:

  • Materials
  • Multiscale Modeling
  • Theory and Computing