Dislocations in layered carbon nanomaterials

Affiliation:🏛️Institut des Matériaux de Nantes Jean Rouxe, Nantes, France 🗺️ .

Reserach team 👥 Materials physics and nanostructures (PMN ) team

Supervisors: Dr. Christopher Ewels , RD CNRS & Dr. Colin Bousige , RD CNRS.

Starting date: 12 Nov 2024

Duration: (03) Three years

Status: 🟩🟩🟩|🟩⬜⬜|⬜⬜⬜

TOC

In materials engineering, defects such as dislocations (e.g. screws and edges) are of fundamental importance. The control of these defects has the potential to drive significant advancements in the field of materials science. However, these defects are not yet fully understood, especially in the case of anisotropic materials. My research focuses on understanding the behaviour of these defects and their impact on layered materials such as graphite. To this end:

  • I am focusing on dislocations defects (initially screws) and their impact on layered materials (primarily graphite).
  • I use both Gaussian (AIMPRO ) and Plan-wave (VASP ) DFT-based code
  • I perform large scale molecular dynamics simulations (LAMMPS ) using machine learning interatomic potential.