Publications de Andrea Cepellotti

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Heat conduction in dielectric crystals originates from the dynamics of atomic vibrations, whose evolution is well described by the linearized Boltzmann transport equation for the phonon populations. Recently, it was shown that thermal conductivity can be r ...

Surface scattering is the key limiting factor to thermal transport in dielectric crystals as the length scales are reduced or when temperature is lowered. To explain this phenomenon, it is commonly assumed that the mean free paths of heat carriers are boun ...

We characterize the thermal conductivity of graphite, monolayer graphene, graphane, fluorographane, and bilayer graphene, solving exactly the Boltzmann transport equation for phonons, with phononphonon collision rates obtained from density functional pertu ...

Thermal conductivity in dielectric crystals is the result of the relaxation of lattice vibrations described by the phonon Boltzmann transport equation. Remarkably, an exact microscopic definition of the heat carriers and their relaxation times is still mis ...

Lattice vibrations are the microscopic mechanism responsible for a large, if not dominant, contribution to heat transport in crystalline insulators. These vibrations are described in terms of phonons, collective excitations (or quasiparticles) in the form ...

Here, using ultrafast electron crystallography (UEC), we report the observation of rippling dynamics in suspended monolayer graphene, the prototypical and most-studied 2D material. The high scattering cross-section for electron/matter interaction, the atom ...

Computational science has seen in the last decades a spectacular rise in the scope, breadth, and depth of its efforts. Notwithstanding this prevalence and impact, it is often still performed using the renaissance model of individual artisans gathered in a ...

The ever-growing availability of computing power and the sustained development of advanced computational methods have contributed much to recent scientific progress. These developments present new challenges driven by the sheer amount of calculations and d ...

The conduction of heat in two dimensions displays a wealth of fascinating phenomena of key relevance to the scientific understanding and technological applications of graphene and related materials. Here, we use density-functional perturbation theory and a ...

We introduce the concept of transportwaves by showing that the linearized Boltzmann transport equation admits excitations in the form of waves that have well-defined dispersion relations and decay times. Crucially, these waves do not represent single-parti ...

Andrea Cepellotti

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Generalization of Fourier’s Law into Viscous Heat Equations

Boltzmann Transport in Nanostructures as a Friction Effect

Thermal Conductivity of Graphene and Graphite: Collective Excitations and Mean Free Paths

Thermal Transport in Crystals as a Kinetic Theory of Relaxons

Thermal transport in low dimensions

Rippling ultrafast dynamics of suspended 2D monolayers, graphene

AiiDA: automated interactive infrastructure and database for computational science

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance

Phonon hydrodynamics in two-dimensional materials

Transport waves as crystal excitations