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Atomistic simulations are a bottom up approach that predict properties
of materials by modelling the quantum mechanical behaviour of all electrons
and nuclei present in a system. These simulations, however, routinely assume
nuclei to be classical particles ...
In this article, using numerical simulations we investigate the self-assembly of rod-like particles in suspension due to depletion forces which naturally emerge due to the presence of smaller spherical depletant particles. We characterize the type of clust ...
The Thorpe and Mason (TM) model for calculating the mass lost from a sublimating snow grain is the basis of all existing small- and large-scale estimates of drifting snow sublimation and the associated snow mass balance of polar and alpine regions. We revi ...
The Thorpe and Mason (TM) model for calculating the mass lost from a sublimating snow grain is the basis of all existing small-and large-scale estimates of drifting snow sublimation and the associated snow mass balance of polar and alpine regions. We revis ...
The implementation of stringent emission regulations has resulted in the decline of anthropogenic pollutants including sulfur dioxide (SO2), nitrogen oxides (NO x), and carbon monoxide (CO). In contrast, ammonia (NH3) emissions are largely unregulated, wit ...
The present work deals with the defect chemistry and charge transport properties in halide perovskites, and in particular in the archetypal methylammonium lead iodide. These materials are extensively researched due to their very promising application as li ...
The aerosol size distribution was measured with a custom made scanning mobility particle sizer (SMPS), range 18 – 660 nm. Aerosols are important for a variety of reasons, one of the most prominent is that a sub-set of the aerosol population can act as cl ...
The average energy curvature as a function of the particle number is a molecule-specific quantity, which measures the deviation of a given functional from the exact conditions of density functional theory. Related to the lack of derivative discontinuity in ...
This contribution discusses the chemical stability of methylammonium (MA) halide perovskites (MAPbI(3), MAPbBr(3), and MAPbCl(3)); it considers degradation processes relevant for devices (vs T, O-2, H2O, voltage, illumination) by outlining their thermodyna ...
Most industrial alloys contain a matrix phase and dispersed second-phase particles. Several thermomechanical processing (TMP) steps are usually needed to produce a final product, during which recrystallization and its related phenomena may take place. Seco ...