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THEORETICAL ANALYSIS, DESIGN AND VIRTUAL TESTING OF BIOCOMPATIBILITY AND MECHANICAL PROPERTIES OF TITANIUM-BASED NANOMATERIALS

THEORETICAL ANALYSIS, DESIGN AND VIRTUAL TESTING OF BIOCOMPATIBILITY AND MECHANICAL PROPERTIES OF TITANIUM-BASED NANOMATERIALS

Objective

The goal of this project is to develop multiscale theoretical models of biocompatible metallic nanomaterials and apply them for the analysis, design and optimization of the materials. Two groups of titanium based nanomaterials are considered (while the methods developed should be applicable to other metallic materials as well): nanostructured commercially pure titanium and shape memory NiTi alloy. The multiscale model of nanostructured titanium (nTi) includes atomistic molecular dynamics (MD) discrete dislocation dynamic model (DDD) of the nucleation, interaction and movement of dislocations, crystal plasticity models mechanical behavior of Ti nano-grains, coupled texture and substructure evolution model for severe plastic deformation of polycrystalline Ti, micromechanical analysis of the grain sizes and microstructures on the mechanical properties. The atomistic and micromechechanical modeling of martensitic transformation (or reorientation) lattice strain of NiTi alloys is carried out. The biocompatibility of these two groups of materials (MD modeling of the interactions between metallic nanoparticles and biological molecules) is studied theoretically. The theoretical studies and recommendations are validated experimentally and in practice.

Coordinator

DANMARKS TEKNISKE UNIVERSITET

Address

Anker Engelundsvej 1 Bygning 101 A
2800 Kgs Lyngby

Denmark

Activity type

Higher or Secondary Education Establishments

EU Contribution

€ 495 640

Administrative Contact

Leon Mishnaevsky Jr. (Dr.)

Participants (5)

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FUNDACION IMDEA MATERIALES

Spain

EU Contribution

€ 180 000

KATHOLIEKE UNIVERSITEIT LEUVEN

Belgium

EU Contribution

€ 150 000

JOHANN WOLFGANG GOETHE-UNIVERSITATFRANKFURT AM MAIN

Germany

EU Contribution

€ 320 000

TECHNION - ISRAEL INSTITUTE OF TECHNOLOGY

Israel

EU Contribution

€ 299 760

TIMPLANT SRO

Czechia

EU Contribution

€ 38 900

Project information

Grant agreement ID: 295322

Status

Closed project

  • Start date

    1 October 2011

  • End date

    31 March 2014

Funded under:

FP7-NMP

  • Overall budget:

    € 1 979 131

  • EU contribution

    € 1 484 300

Coordinated by:

DANMARKS TEKNISKE UNIVERSITET

Denmark

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