A seminar series in condensed matter physics. The seminars take place every other Tuesday during the fall term.
Speaker: Senja Barthel, Vrije Universiteit Amsterdam
Title of the lecture: "Shapes in materials science: Mass transport modelling and bond analysis based on the geometry and topology of 3-periodic scalar fields"
See abstract below.
Overview
- Date:Starts 5 September 2023, 11:00Ends 5 September 2023, 12:00
- Location:PJ lecture room, building Physics Origo
- Language:English
Abstract:
Many properties of materials are related to shapes. These shapes can be found in the bond-network of a molecule, or be the shapes of electronic densities, the pore shapes of nanoporous materials, local atomic configurations, the shapes of configuration landscapes whose minimal energy paths give catalytic pathways, etc.
In this talk, I will present an ongoing project that develops a cost-efficient multi-scale model for mass transport in crystalline materials from studying the geometry and topology of 3-periodic scalar fields (e.g. the potential of ions in an electrolyte). An example will show how the formation and stability of bonds can be studied by analysing electronic charge densities in the same spirit. This is a collaboration with Amber Mace.
