Determining the Optimal Phase-Change Material via High-Throughput Calculations
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Motivated by the ongoing investigation of SrCu2(BO3)(2) under pressure, we study a variant of the two-dimensional Shastry-Sutherland (SS) spin-1/2 model with two types of dimers. Combined with the frustration of the SS model, this modification induces, in ...
Aluminum zinc alloys constitute an important class of wrought alloys, the so-called 7000 series, and are also widely used as anti-corrosion coatings of steel sheets. They are also interesting from a more fundamental point of view because zinc, a hexagonal ...
EPFL2008
Many commercially important alloys such as Fe-C, Fe-Ni, Cu-Zn, Cu-Sn and Ti-Al exhibit peritectic transitions on solidification. In the two-solid phase region of peritectic metallic systems, a wide spectrum of microstructures has been revealed during direc ...
EPFL2008
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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 ...
Liquid–liquid phase separation occurs in young mammalian eye lenses and in concentrated solutions of isolated eye lens proteins, and has been linked to some forms of cataract. Here we study theoretically the protein compositions and cloud temperatures of t ...
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 ...
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 ...
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 ...
In the coastal regions, the land subsidence due to the industrial pumping of underground fluids such as methane is documented by the means of in situ surveys. The laboratory characterization of the gas bearing formations has also been published, which comp ...
Porosity is one of the major defects in castings because it reduces the mechanical properties of a cast piece [1]. Porosity formation results from the effect of two concomitant mechanisms, namely solidification shrinkage and segregation/precipitation of ga ...
