M. Sc. Marvin Breier

PhD Student

Project

The JEDI analysis allows the calculation of the distribution of strain energy in a mechanically deformed chemical system. Using the harmonic approximation, it calculates the strain energy in each chemical bond, bending and torsion of the system. This project aims at methodological advancements of the JEDI analysis in the treatment of solid-state systems, including such cases in which no covalent bonds are present and the use of a suitable allocation scheme for the mechanical strain energy is a non-trivial task. The extended JEDI analysis will subsequently be used to understand mechanical deformation in diverse solid-state systems with unprecedented detail. Applications with high societal impact will be a crucial part of the work program.

We thank the Hans B?ckler Foundation for funding this project.