Project funded by the European Commission under the 7 th Framework Programme for Research and Technological Development in the

framework of Theme 4 NMP Nanosciences, Nanotechnologies, Materials and new Production Technologies as a Coordinated call EU-Russia 2011

Project ViNaT
Contract No.: 295322

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

PROGRAMME
International Workshop on

NANOSTRUCTURED TITANIUM BASED ALLOYS FOR MEDICAL APPLICATIONS:

Mechanical Properties and Biocompatibility
January 21-23, 2013, Ein Gedi, Israel

CHAIRPERSONS:

Dr. Irena GOTMAN (Technion, Israel)

Dr. Leon MISHNAEVSKY Jr. (DTU, Denmark)

Prof. Evgeny LEVASHOV (MISIS, Russia)

International Scientific Committee: Prof. Andrey Solovyov, Goethe University Frankfurt, Germany Prof. Bent F. Srensen, Technical University of Denmark, Denmark Dr. Eberhard Seitz, Technische Universitt Clausthal, Germany Prof. Elazar Gutmanas, Technion, Israel Prof. Javier Llorca, IMDEA, Spain Prof. Sergey Prokoshkin, MISIS, Russia Prof. Marc Seefeldt, Katholieke Universiteit Leuven, Belgium Prof. Dmitry Shtansky, MISIS, Russia Prof. Ruslan Valiev, Ufa State Aviation Technical University, Russia Prof. Sergey Psakhie, ISPMS, Tomsk, Russia Objectives and topics: Due to the rapid aging of the world population, an increasing number of people need their failed tissues to be replaced or supported by artificial components. Titanium alloys are widely used in load-bearing orthopaedic and dental applications requiring high mechanical properties. The high strength is achieved by addition of alloying elements that lead to an impaired biological response. Nanostructuring can provide an alternative method for mechanical property enhancement of titanium, without compromising its biocompatibility. Computational modeling of mechanical properties and biocompatibility will bring nanocrystalline titanium implants closer to clinical realization as well as significantly reduce the number of animal experiments. In order to develop computational modeling tools for the analysis of titanium based nanostructured metals for medical applications, a European FP7 research project "Virtual Nanotitanium" (VINAT) has been started in 2011. This project is carried out in collaboration with the State Contract 16.523.12.3002 funded by the Russian Ministry of Education and Science. The International Workshop is organized in the framework of this project, and will cover the following topics: Modeling of mechanical behavior and biocompatibility of nanostructured Ti alloys Processing and mechanical properties of nanostructured Ti alloys Dissolution, oxidation and corrosion of nanostructured Ti alloys Dental and orthopaedic applications of nanostructured Ti alloys Modeling, properties and biocompatibility of other nanostructured materials for medical applications Venue The International Workshop on Nanostructured titanium-based alloys for medical applications organized together with the 3rd General Meeting of EU FP7 ViNaT Project will be held in Ein Gedi Kibbutz Hotel, Israel. Ein Gedi is an oasis located on the rocky slopes above the Dead Sea - worlds lowest and saltiest body of water, surrounded by the most breathtaking and exotic scenery. Contact: Prof. Elazar Y. Gutmanas (Technion, Israel) E-mail: gutmanas@tx.technion.ac.il Dr. Leon Mishnaevsky Jr. (DTU, Denmark) E-mail: lemi@dtu.dk

Programme January 21, 2013

9:00- 9:30 Registration

OPENING SESSION
9:30- 9:40 9:40- 9:50 9:50-10:00 10:00-10:10 10:10-10:40 10:40-11:10 11:10-11:40 11:40-12:10 12:10-14:00 Opening, Irene Gotman (Technion, Israel) Welcome, Leon Mishnaevsky Jr. (VINAT Coordinator, DTU, Denmark) Welcome, Evgeny Levashov (Goscontract Coordinator, MISIS, Russia) Welcome, Eberhard Seitz (Technical Advisor, EU) Keynote Lecture: Gregory B. Olson (Northwestern University, Evanstone, USA) Multistage modeling of mechanical behavior of metal alloys Coffee Keynote Lecture: Javier Llorca (IMDEA, Spain) High temperature mechanical properties of nanoscale metallic multilayers Keynote Lecture: Ruslan Valiev (USATU, Russia) SPD Produced UFG titanium for medical applications: Structures, properties and modeling Lunch

SESSION: NANOMATERIALS FOR MEDICAL APPLICATIONS

15:00-14:30 14:30-14:50 14:50-15:10 Keynote Lecture: Irena Gotman (Technion, Israel): Novel nitinol load bearing highly porous scaffolds for bone regeneration Ludek Dluhos (Timplant, Czech Republics), Dental implants from nanostructured titanium Evgeny Levashov (MISIS, Russia) Recent progress in development of metallic and polymer biomaterials with controlled surface topography, open porosity, and chemistry for bone substitution implants Coffee Keynote Lecture: Vladimir Brailovski (L'cole de Technologie Suprieure Montral, Canada) Superelastic Ti-based foams for biomedical applications: manufacturing, characterization and modeling Elazar Gutmanas (Technion, Israel) Iron based materials for bioresorbable implantable devices Andrey Scherbakov (USATU, Russia) Results of experiments on application of nanotitanium in dentistry and perspectives of its application in traumatology Dinner

15:10-15:40 15:40-16:10 16:10-16:30 16:30-16:50

18:30-20:30

Programme January 22, 2013

SESSION: MODELLING OF NANOSTRUCTURED MATERIALS (1)
9:30-10:00 10:00-10:20 Keynote Lecture: Siegfried Schmauder (Uni Stuttgart, Germany) From Atoms to Components Hyoung Seop Kim et al. (Pohang University of Science and Technology, Korea) Severe plastic deformation of Ti for biomedical applications: finite element analysis based on dislocation glide and twinning mechanisms Nariman Enikeev (USATU, Russia) Multi-scale simulation of producing nanostructured CP Ti by ECAP-C Coffee Keynote Lecture: Andrey Solovyov (FIAS-GU, Germany), Titanium properties on the nanoscale explored with atomistic MD simulations. nanoindendentation Marc Seefeldt (Katholieke Universiteit Leuven, Belgium) Operating mechanism triggering grain subdivision. Computer algorithm for a (micro)texture development model with changing number of orientations Ilchat Sabirov (IMDEA, Spain) Deformation behaviour of nanostructured titanium Konstantin Zolnikov (ISPMS, Russia) Nucleation and development of plastic deformation in titanium crystallite on micro (atomic) level under mechanical loading Lunch

10:20-10:40 10:40-11:00 11:00-11:30 11:30-11:50

11:50-12:10 12:10-12:30

12:30-14:00

SESSION: MODELLING OF NANOSTRUCTURED MATERIALS (2)

14:00-14:20 14:20-14:40 14:40-15:00 Keynote Lecture: Eugen Rabkin (Technion, Israel) Role of grain boundary diffusion in dissolution, oxidation and grain boundary sliding of nanocrystalline metal alloys Aleksej Smolin et al. (ISPRS, Russia) Multilevel MCA model for nanostructured protective and bioactive coatings on Ti-based nanostructured materials. Development and validation. Andrey Solovyov (FIAS-GU, Germany), Quantum mechanical calculations of Ti metallic clusters and crystal structures, diffusion processes at interfaces and nanoindendentation. Potential improvement and calculations of the dissociation barriers on grain boundaries. Eugeny Shilko (ISPMS, Russia) Development of a formalism of discrete element approach for numerical modeling of deformation and fracture of heterogeneous elastic-plastic materials Dong Jun Lee (Pohang University of Science and Technology, Korea) Tomography-based finite element analysis for the mechanical behavior of porous Ti Coffee

15:00-15:20 15:20-15:40

15:40-16:00

SESSION: SOFTWARE FOR MODELLING OF NANOMATERIALS

16:00-16:20 16:20-18:00 16:20-18:00 Sergey Gromov (MISIS, Russia) Alfa version of the software for multiscale modelling of nanomaterials Discussion on software development (VINAT meeting) Poster session

18:30-20:30

Dinner

Programme January 23, 2013

SESSION: NANOMATERIALS: FABRICATION AND PROPERTIES
09:30-10:00 10:00-10:20 10:20-10:40 Keynote Lecture: Reinhard Pippan (ESI, Austria) Fracture toughness of HPT deformed titanium Ho Yong Um ((Pohang University of Science and Technology, Korea) Corrosion resistivity of ultrafine grained pure ti and TI-6al-4v alloy processed by high-pressure torsion Dmitry Gunderov (USATU, Russia) Structure and properties of nanocrystalline TiNi alloys produced by SPD and perspectives of their application in medicine

10:40-11:00 11:00-11:20 11:20-11:40

Coffee Elazar Gutmanas (Technion, Israel) Processing of TiN PIRAC coatings on submicron and nano-Ti and TiNi and TiNb Ti alloys Yury Pogozhev (SIE METALL, Russia) Self-propagating high-temperature synthesis of composite PVD targets based on Ti(Ta)C0,5 with functional doping agents for deposition of multicomponent bioactive nanostructured films for medical implants

12:00-12:10 12:10-12:20 12:20-12:30

Closing Remarks, Elazar Gutmanas, Technion Closing Remarks, Evgeny Levashov (MISIS, Russia) Closing Remarks, Leon Mishnaevsky Jr (DTU, Denmark)

12:30-14:00

Lunch

13:30-15:00

INTERNAL DISCUSSIONS (Only ViNaTmembers)

Poster Presentations:
Ilchat Sabirov, J. Segurado, J. Llorca (IMDEA, Spain) DD simulations for crystal plasticity modeling S.Prokoshkin, A.Korotitskiy (MISIS, Russia) Development of module Resource of recoverable strain and characteristics of shape recovery in shape memory alloys and validation of modeling results Dimaki A.V., Shilko E.V., Psakhie S.G. (ISPMS, Russia) On the simulation of contrast porous media, including biological materials, in the framework of hybrid cellular automaton method. Dmitriev A.I., Kuznetsov V.P., Nikonov A.Yu., Psakhie S.G. (ISPMS, Russia) Modeling of nanofragmentation of surface layer of metals caused by mechanical treatment Zolnikov K.P., Kryzhevich D.S., Konovalenko Iv.S., Psakhie S.G. (ISPMS, Russia) Nucleation and development of plastic deformation in titanium crystallite on micro (atomic) level under mechanical loading Ilchat Sabirov, J. Segurado, J. Llorca (IMDEA, Spain) Macrotexture pole figures for the nanostructured pure Ti Andrey Scherbakov (USATU, Russia) Concept of graphic presentation of results of multiscale modeling of nanomaterials as a composite element of the software complex