Phase-Transition Mechanisms Between Hexagonal Commensurate and Incommensurate Structures
Graph Chatbot
Chattez avec Graph Search
Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.
AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.
Recent progress in simulation methodologies and in computer power allow first-principles simulations of condensed systems with Born–Oppenheimer electronic energies obtained by quantum Monte Carlo methods. Computing free energies and therefore getting a qua ...
We study the phase diagram of an effective ion model of fully ionized hydrogen at ultra-high pressure. We assume that the protons interact with a screened Coulomb potential derived from a static linear response theory. This model accurately reproduces the ...
Tungsten alloys are candidate materials for DEMO divertor applications because of their high melting point and low sputtering yield. We explore, using ab initio methods, the phase stability trend of W-Ta and W-V alloys. The available experimental phase dia ...
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these limitations can be ...
Tungsten alloys are candidate materials for DEMO divertor applications because of their high melting point and low sputtering yield. We explore, using ab initio methods, the phase stability trend of W-Ta and W-V alloys. The available experimental phase dia ...
Understanding the relation between the gas-phase structure of biological molecules and their solution-phase structure is important when attempting to use gas-phase techniques to address biologically relevant questions. Directly after electrospray ionizatio ...
Raman and optical absorption spectra of FeTe2O5Cl at pressures (P) up to 5.9 GPa were measured in order to identify the point of pressure-induced structural phase transition and to compare the vibrational and optical properties of FeTe2O5Cl to those of FeT ...
The study of the dynamical evolution of a system, e.g. a chemical reaction or a phase transition, has become nowadays a subject of growing scientific interest. The direct observation of the steps and the structural changes through which chemical reactions ...
We investigate the zero-temperature phase diagram of the fully frustrated transverse-field Ising model on the square lattice both in the classical limit and in the presence of quantum fluctuations. At the classical level (the limit of infinite spin S), we ...
Motivated by the current interest in the quantum dimer model on the triangular lattice, we investigate the phase diagram of the closely related fully frustrated transverse-field Ising model on the honeycomb lattice using classical and semiclassical approxi ...
