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Density functional approximations fail to provide a consistent description of weak molecular interactions arising from small electron density overlaps. A simple remedy to correct for the missing interactions is to add a posteriori an attractive energy term ...
Superpositions of periodic dot screens are largely used in electronic imaging in the field of color printing. In such superpositions the interaction between the superposed layers may cause new structures to appear which did not exist in any of the original ...
We present a space-domain integral-equation method for the analysis of periodic structures formed by three-dimensional metallic objects arranged in a general skewed two-dimensional lattice. The computation of the space-domain Green's function is accelerate ...
A new approach is presented for investigating the superposition of any number of periodic structures, and the Moire effects which may result. This approach, which is based on an algebraic analysis of the Fourier-spectrum using concepts from the theory of g ...
Moire phenomena of different types are frequently encountered in electronic imaging. Most common are moire effects that occur between periodic structures. These effects have been intensively investigated in the past, and their mathematical theory is today ...
We investigate the structure and mobility of single self-interstitial atom and vacancy defects in body-centered-cubic transition metals forming groups 5B (vanadium, niobium, and tantalum) and 6B (chromium, molybdenum, and tungsten) of the Periodic Table. D ...
Faraday rotation is a fundamental magneto-optical phenomenon used in various optical control and magnetic field sensing techniques. Recently, it was shown that a giant Faraday rotation can be achieved in the low-THz regime by a single monoatomic graphene l ...
NOVELTY - The component partially or wholly comprises pigmented ceramic. The pigment comprises nanoparticles of metal of group IB in periodic table, alkaline metals or their alloy, coated with a layer of silica such as crystalline silica. The crystalline s ...
The thermochem. of the RuO42- + MnO4- RuO4- + MnO42- redox reaction in aq. soln. is studied by sep. d.-functional-based ab initio mol.-dynamics simulations of the component half reactions RuO42- -> RuO4- + e- and MnO42- -> MnO4- + e-. We compare the result ...
When two different periodic potentials are present at the same time in a solid, the electron wavefunctions must conform to the resulting overall periodicity. It is the case of the broken-symmetry phases which are often observed in low-dimensional systems. ...
Institute of Physics (IoP) and Deutsche Physikalische Gesellschaft2005