Suchergebnisse

I describe a set of computational experiments using molecular dynamics simulations, showing that the interface between two solid materials can be described as an autonomous thermodynamical system. By making use of the Gibbs description for such an interface, I discuss a robust nonequilibrium thermodynamics theoretical framework providing information about its corresponding thermal boundary resistance. In particular, I show that the termal resistance of a junction between two pure solid materials can be regarded as an interface property, depending solely on the interface temperature.

I will discuss the thermal transport properties of nanostructured silicongermanium alloys for thermoelectric applications. By means of atomistic simulations, I will show that it is in fact possible to design a nanocomposite with optimal thermoelectric performances, i.e. maximizing its figure of merit. In particular, computer experiments provide quantitative evidence that the phonon flux from hot to cold regions (phonons are the microscopic heat carriers) is dramatically affected by the network of grain boundaries present in the nanocomposite