Capabilities
Crystals are like people, it is the defects in them which tend to make them interesting!
Colin Humphreys
We use advanced computing resources to study mechanical behaviours of materials using multiscale materials modelling. Dependent on the materials engineering task, we choose the most suitable simulations balancing predictive power with feasible computer resources.
Ab-initio Simulations
Predicting chemical accurate materials properties
Previous projects
- Stacking fault energies & deformation mechanism in nanocrystalline metals
- Dislocations in refractory high-entropy alloys
- …
Molecular Dynamics
Predicting thermodynamic and kinetic rigorous and without adjustable parameters materials properties.
Previous projects
- Acoustic properties of polymers
- Self-healing nanoparticles
- Deformation of nanostrutures and nanomaterials
- …
Mesoscale Simulations / Theory
Predicting materials microstructure and properties with the necessary complexity
Previews projects
- Mobility of grain boundaries
- …