ViNat - Virtual Nanotitanium

This project is devoted to the development of multiscale models for the theoretical analysis, virtual testing and optimization of three main groups of nanostructured titanium-based metallic materials: pure titanium, Ti-Nb alloy and superelastic/shape memory Ti-Ni alloy. The idea of the project is to develop and validate a series of computational models for these materials at the atomistic, crystal/dislocation and grain/texture/microstructure levels, to explore their biocompatibility and mechanical properties, and to analyse the effect of atomistic, nano and microscale structures on the properties of these materials. Models based on the methods of molecular dynamics, dislocation dynamics, single crystal plasticity, polycrystal homogenization, discrete micromechanics are employed here to analyze the mechanical properties and biocompatibility of Ti-based nanomaterials. 

The objectives of the project include: 

Development of multiscale models of mechanical behaviour and strength of nanostructured titanium and biocompatible nanostructured Ti-based alloys with superelasticity and shape-memory, taking into account the atomistic, dislocational and nano- and microscale structures and properties of the materials, 

Fundamental understanding of the physical mechanisms of deformation, strength, biocompatibility of nanostructured titanium and titanium based alloys, 

Development and experimental validation of theoretical models of biological response of nanostructured titanium and titanium alloys.


Leon Mishnaevsky
Senior Scientist
DTU Wind Energy
+45 46 77 57 29