What can Molecular Dynamic Simulations do?
Classical molecular dynamics is a particle simulation method based on parameterized force fields.
Molecular dynamic simulations is a suitable tool for the investigation of atomic processes, which are reflected in macroscopic, application-relevant material properties.
Applications include a wide range of materials and structures (crystalline solids, glasses, porous layers, liquids, clusters).
Application Examples of Molecular Dynamic Simulations at INNOVENT
- Structural defects and impurities in polycrystalline Si
Diffusion and segregation of impurities at grain boundaries and dislocations
- Deposition of ZnO layers on amorphous SiO2 surfaces
Deposition kinetics of ZnO clusters on the surface, layer formation
- Alkali ion transport in silicate glasses
Na diffusion at the interface of glass functional layer
- Anisotropic material properties of scintillator crystals
Anisotropy of thermal conductivity and thermal expansion in LaBr3
