Free energy methods in coupled electron ion Monte Carlo
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
Phase equilibria in the CaO-Al2O3-Fe2O3-SO3 system have been studied, mainly at 1325 degrees C. In particular the solid solution compositions of ye'elimite Ca-4(Al6O12)SO4 and brownmillerite (C-2(A,F)) phases have been analysed and used to estimate the com ...
Avoiding the formation of rings in rotary kilns is an issue of primary concern to the cement production industry. We developed a numerical combustion model that revealed that in our case study rings are typically formed in zones of maximal radiative heat t ...
To identify possible spin texture contributions to thermoelectric transport, we present a detailed temperature and pressure dependence of thermopower S in MnSi, as well as a lowtemperature study of S in a magnetic field. We find that S/T reconstructs the ( ...
Fe-rich natural orthopyroxenes with compositions of (Mg0.61Fe0.38Ca0.01)SiO3 (Fe#38) and (Mg0.25Fe0.74Ca0.01)SiO3 (Fe#74) were studied at pressures up to 155 GPa and temperatures up to 3000 K. Single-phase orthorhombic GdFeO3-type perovskite was synthesize ...
The Wigner phase operator (WPO) is identified as an operator valued measure (OVM) and its eigenstates are obtained. An operator satisfying the canonical commutation relation with the Wigner phase operator is also constructed and this establishes a Wigner d ...
In the current work, free volume concepts, primarily applied to glass formers in the literature, were transferred to ionic liquids (ILs). A series of 1-butyl-3-methylimidazolium (C4MIM) based ILs was investigated by Positron Annihilation Lifetime Spec ...
This research investigates the influence of alkali hydroxides on unrestrained volume changes. A detailed multi-method approach is used to characterize the progress of cement hydration, autogenous and drying volume changes (i.e., shrinkage), autogenous RH d ...
We report an investigation of the magnetic phase diagram of the heavy fermion compound CeCoGe 2.36Si 0.64 using DC magnetic susceptibility measurements under high pressure up to 10 kbar. The antiferromagnetic order that develops at ambient pressure below a ...
Being a giant bulk Rashba semiconductor, the ambient-pressure phase of BiTeI was predicted to transform into a topological insulator under pressure at 1.7-4.1 GPa [Nat. Commun. 2012, 3, 679]. Because the structure governs the new quantum state of matter, i ...
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 ...
