DEFROST

Recently, many efforts have been devoted to nanometric metallic multomposed of immiscible metals, present a unique combination of high thermal and electrical conductivity and low coefficieilayers (NMMs) because of their outstanding properties related to the individual components and number of interfaces. They are potential candidates for advanced technologies to serve as protective or optical or electrical coatings, biosensors and plasmonic devices, thin-films photovoltaic cells or radiation tolerant materials. The present project focuses on of Cu/Mo NMMs. These nano-laminates, cnt of thermal expansion. The properties can be adjusted ("materials on demand") by controlling the ratio Cu/Mo, layer thickness, and nanocomposite texture. They are promising systems for next gen-multi-material devices (e.g. heat sink in electronic devices). The NMMs are expected to keep their initial microstructure even if annealed at high temperatures. Yet, that is not the case. The lack of structural stability of immiscible NMMs (for instance CuW) has been extensively studied from the experimental point of view. It proceeds in 3 stages: grain coarsening, thermal grooving and pinch-off of the layers. After annealing, the layered system became a composite with Cu inclusions in Mo matrix. The driving force originates from the interface energy, thermal properties of the components, and large stresses in the multilayers. The kinetics at the origin of structural instability remains an open question in order to interpret experimental observations. In this project, we plan to resort to multi-timescale computational modeling to tackle this problem. Multi-scale modeling is mandatory because short-term phenomena coexist with long-term ones. The combination of modelling approaches (Molecular Dynamics; Quasiparticle approach and Machine Learning) at different timescales will provide new information on the mechanisms that govern the thermal stability of Cu-Mo nanocomposites.