Theoretical and Computational Nanoscience

Supervisors: Prof. Stephan Roche (ICN2), Dr Aleandro Antidormi (ICN2), Prof. Ivan Cole (RMIT), with industry mentors Sivasambu Bohm and David Noriega (ArcelorMittal)

Option 1 Simulations of graphene based coatings

Project: This PhD research will consist in performing DFT and molecular dynamics simulations on new type of graphene-based coatings & composite of potential applications in steel industries, and aeronautics. An external industrial partner will contribute to training and guidance of the student in industry aspects and help in profiling simulations to respond to the current cutting edge technological and high through put industrial product developments.

Option 2 Simulations of amorphous boron nitride based ultrathin films

Project: The PhD research will consist in performing DFT and molecular dynamics simulations on new type of amorphous boron-nitride based coatings of potential applications in composites. The objective is to analyse how the variability of disorder in boron-nitride forms can affect their mechanical properties, as well as thermal stability and efficiency as barrier to metal atoms. This could have applications in electronics.

Option 3 Oxidation effects on graphene-based composites

Project: The PhD research will consist in performing DFT and molecular dynamics simulations on defected graphene-based composites with a particular focus on the variation of properties by changing degree of oxidation and resulting properties of the material for applications.

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Reference

ICN2-DC1

Research Areas

Machine Learning, Physics, Nanotechnology, Advanced Manufacturing, Mechatronics, Industrial Design, Electronics

Research Host

Catalan Institute of Nanoscience and Nanotechnology (ICN2)

PhD awarding institution/s

Autonomous University of Barcelona (UAB) & RMIT University

RMIT University

Other Positions

Supervisors

Prof. Tor Helge Aas (UiA) and Prof. Anne-Laure Mention (RMIT)

PhD awarding institution/s

University of Agder (UiA) & RMIT University

Supervisors

Prof. Tor Helge Aas (UiA) and Prof. Anne-Laure Mention (RMIT)

PhD awarding institution/s

University of Agder (UiA) & RMIT University

Supervisors

Prof. Mikko Pynnönen (LUT) and Prof. Anne-Laure Mention (RMIT) Juha Kauppinen (Mikkeli Development, Miksei Ltd)

PhD awarding institution/s

Lappeenranta – Lahti University of Technology (LUT) & RMIT University

RMIT and many of the REDI partners are HSR4R certified
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This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 101034328.

Results reflect the author’s view only. The European Commission is not responsible for any use that may be made of the information it contains