Modeling the Ga/As binary system across temperatures and compositions from first principles
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The crystal structures of silver(I) sulphate, Ag2SO4, have been investigated as a function of temperature. A main feature is the phase transition from the low-temperature ordered phase, F ddd, to the high-temperature disordered phase, P63/mmc. In particula ...
During solidification of metallic alloys, coalescence leads to the formation of solid bridges between grains or grain clusters when both solid and liquid phases are percolated. As such, it represents a key transition with respect to the mechanical behavior ...
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During solidification of metallic alloys, coalescence corresponds to the formation of solid bridges between grains when both solid and liquid phases are percolated. As such, it represents a key transition with respect to the mechanical behaviour of solidif ...
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 ...
A theory for the microscopic structure and the vibrational properties of soft sphere glass at finite temperature is presented. With an effective potential, derived here, the phase diagram and vibrational properties are worked out around the Maxwell critica ...
We investigate how natural curvature affects the configuration of a thin elastic rod suspended under its own weight, as when a single strand of hair hangs under gravity. We combine precision desktop experiments, numerics, and theoretical analysis to explor ...
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 ...
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 ...