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We study the thermodynamics of cubic Ti1-xAlxN using a unified cluster expansion approach for the alloy problem. The purely configurational part of the alloy Hamiltonian is expanded in terms of concentration- and volume-dependent effective cluster interact ...
In a mesoscopic conductor, electric resistance is detected even if the device is defect-free. We engineered and studied a cold-atom analog of a mesoscopic conductor. It consists of a narrow channel connecting two macroscopic reservoirs of fermions that can ...
American Association for the Advancement of Science2012
Density functional calculations applying periodic boundary conditions have been performed to investigate adsorption and cracking of light alkanes (C 3-C 6) on zeolite H-ZSM-5. Intrinsic energy barriers were obtained from single-point calculations by applyi ...
The coil to globule transition is a fundamental phenomenon in the physics of macro-molecules by reason of the multiplicity of arrangements of their conformation. Such conformational freedom is the main source of entropy in the molecule and is the main oppo ...
We employed Raman spectroscopy to investigate how the hydrostatic pressure affects the temperature of the Verwey transition in pure (Fe3O4) and Al-doped (Fe2.8Al0.2O4) magnetite. In both samples, pressure suppresses the transition. The Al-doped sample disp ...
We demonstrate here an alternative dielectric elastomer actuator (DEA) structure, which relies on the compliant nature of elastomer membranes but does not require any electric field in the elastomer. Our elastomer zipping device is a macroscopic version of ...
Providing adaptive shared control for Brain- Computer Interfaces (BCIs) can result in better performance while reducing the user’s mental workload. In this respect, online estimation of accuracy and speed of command delivery are important factors. This stu ...
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 ...
Extracting reliable thermochemical parameters from molecular dynamics simulations of chemical reactions, although based on ab initio methods, is generally hampered by difficulties in reproducing the results and controlling the statistical errors. This is a ...
An analysis of a multiscale symmetric interior penalty discontinuous Galerkin finite element method for the numerical discretization of elliptic problems with multiple scales is proposed. This new method, first described in [A. Abdulle, C.R. Acad. Sci. Par ...