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Postdoctoral position in ab initio study of mate ... (No replies)

mcrighi
8 years ago
mcrighi 8 years ago

The most common technologies nowadays available to reduce friction are based on materials, such as solid lubricants and hard coatings, the functionality of which depends on chemical processes occurring at the buried sliding interface.

Here the project is to apply ab initio molecular dynamics - eventually included in a multi-scale framework - and static first principles calculations of interfacial properties to understand i) the functionality of lubricant additives, ii) the tribochemistry of graphene/graphite, molybdenum disulfide, and diamond/diamond like carbon (DLC), interacting with water molecules.

The above systems are relevant for industrial applications, we collaborate with Total SA and Toyota Central Labs, and for nanotribology. A fundamental understanding on the effects of mechanical forces on reaction kinetics is a further scope of the project.

Duration: one year, renewable

Profile: The successful candidate will have a PdD in Physics or Chemistry, and postdoctoral experience in ab initio DFT calculations of surface/interface properties. Experience in molecular dynamics and tribology is desirable.

Applications including CV and the addresses of at least two references should be sent to: M. Clelia Righi [email protected]




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Ab initio (from electronic structure) calculation of complex processes in materials