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For the patterning on 'unconventional' surfaces and/or non-IC applications new micro- and nanopat- terning technologies are developed. One of these techniques is the localized material deposi- tion through ultra-miniature shadow masks (nanostencils). Nanos ...
A finite-temp. linear tetrahedron method for electronic structure calcns. of periodic systems is developed. When compared to widely used simple temp. broadening, the no. of k points necessary for accurate integration at finite temps. is reduced. The utilit ...
We derive inverse trace inequalities for hp-finite elements. Utilizing orthogonal polynomials, we show how to derive explicit expressions for the constants when considering triangular and tetrahedral elements. We also discuss how to generalize this techniq ...
Novel extended tetrahedral forms Of CO2 have been synthesized recently under high-pressure conditions. We perform ab initio density functional theory calculations to investigate whether doping with Si can extend the stability range of such tetrahedral form ...
Neutron scattering studies on powder and single crystals have provided new evidence for unconventional magnetism in Cu2Te2O5Cl2. The compound is built from tetrahedral clusters of S=1/2 Cu2+ spins located on a tetragonal lattice. Magnetic ordering, emergin ...
A transmission electron microscopy study of a wide range of p-type GaN samples reveals that high Mg doping has a strong influence on the polarity of GaN. The main characteristic of Mg-doped metal organic vapour phase epitaxy (MOVPE) and bulk GaN is the pre ...
We develop and analyse a composite 'CT3D' tetrahedral element consisting of an ensemble of 12 four-node linear tetrahedral elements, coupled to a linear assumed deformation defined over the entire domain of the composite element. The element is designed to ...
The structure of a crystal of natural melilite from San Venanzo, Umbria (Italy) of the general formula X(2)T1(T2)(2)O-7, where X = Ca0.945Sr0.005Na0.04K0.01, T1 = Mg0.92Al0.08 and T2 = Si0.99Al0.01, has been solved and refined as an incommensurate structur ...
An efficient algorithm for band connectivity (BC) resoln. is presented. The method uses only readily available band coeffs. and the overlap matrix, and has a low computational cost. The accuracy of the BC resoln. is such that the method is practical for me ...
First-principles molecular dynamics simulations are carried out to study the structural properties of liquid GeSe2. We use a generalized gradient approximation for the exchange and correlation energy, which we find to improve significantly upon the local d ...
