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Experimental investigation and modelling of nanoscale solid state reactions with high technological impact (EXMONAN)
Start date: 01 Oct 2014, End date: 30 Sep 2018 PROJECT  FINISHED 

"Competition between phases occurring in solid-state reactions in metallic nanosystems is of critical importance in advanced materials technologies. The present Project focuses on materials already being used or are being considered as candidates for application in advanced joining technologies. The principal goals of application are: (i) to tune interface reactions in nano-structured Ni/Al, Ti/Al and Cu/Sn systems and (ii) to determine the thermodynamic driving forces and activation energies (i.e. the kinetic barriers) for interfacial segregation and grain-boundary wetting in binary alloys (Ag-Cu, Al-Si and Al-Cu). By developing the understanding of basic physical and chemical background of the phenomena the Project will focus on : (i) experimental investigations of dynamic atomic diffusion at nanocrystal facets and variable interfaces at low and high temperatures (in ultrafast laser-induced surface quasi-liquid and liquid layers) in silver nanoparticles and nanowires with reference to the melting process; (ii) analytical modelling and atomistic simulation of interdiffusion processes accompanying intermediate phase formation in nano-film couples; (iii) analytical (mean-field-based) modeling of ordering and Kirkendall voiding in solid-solution and intermetallic phases and (iv) development of modeling of nanoscale structural transformations in solids at different temperatures using ab-initio density functional theory (DFT) methods, atomistic simulation techniques (Monte Carlo and molecular dynamics) and the phase field crystal method.Apart from the realization of particular research task, the networking between the project participants will aim at integration of the research capacities and creation of a new powerful and very efficient international scientific milieu."
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