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This work aims to compare the effect of combined chromium and sulfur contaminating conditions to the Cr contamination alone on the Cr poisoning mechanisms in (La,Sr)MnO3-(Zr,Y)O-2 solid oxide fuel cell (SOFC) cathodes. Whereas Cr2O3 and (Cr,Mn)(3)O-4 are f ...
We describe a low-temperature thermodynamic model for dynamic nuclear polarization (DNP) via continuous-wave partial saturation of electron spin resonance (ESR) lines that are both homogeneously and inhomogeneously broadened. It is a variant of a reasoning ...
Modeling work in neuroscience can be classified using two different criteria. The first one is the complexity of the model, ranging from simplified conceptual models that are amenable to mathematical analysis to detailed models that require simulations in ...
The enthalpies of formation of the intermetallic compounds in the Ge-Ni binary system have been determined by calorimetric measurement and first-principles calculations. Based on the results obtained and information available in the literature, the phase d ...
Quantum phase transitions are often embodied by the critical behavior of purely quantum quantities such as entanglement or quantum fluctuations. In critical regions, we underline a general scaling relation between the entanglement entropy and one of the mo ...
This work investigates sulfate attack in complex sulfate environments by exposing different binder types to various sulfate solutions and comparing predicted phase and volume changes with experimental data. The most important aspects of this work can be gr ...
Using extensive classical and quantum Monte Carlo simulations, we investigate the ground-state phase diagram of the fully frustrated transverse field Ising model on the square lattice. We show that pure columnar order develops in the low-field phase above ...
In this paper, we introduce the first direct perturbed particle transport measurements in resonant magnetic perturbation (RMP) H-mode plasmas. The perturbed particle transport increases as a result of application of RMP deep into the core. In the core, a l ...
Computer simulations of biomolecules such as molecular dynamics simulations are limited by the time scale of conformational rearrangements. Several sampling techniques are available to search the multi-minima free energy landscape but most efficient, time- ...
The thermo-environomic assessment of the industrial production of ammonia has been investigated in this project. Thermodynamic models for the ammonia synthesis were developed on the flowsheeting software Vali based on the techniques used at LENI. Several p ...