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The structure and phase stability of binary tungsten-vanadium and tungsten-tantalum alloys are investigated over a broad range of alloy compositions using ab initio and cluster expansion methods. The alloys are characterized by the negative enthalpy of mix ...
We give an overview of the coherence properties of exciton-polariton condensates generated by optical parametric scattering. Different aspects of the first-order coherence (g((1))) have been investigated. The spatial coherence extension of a two-dimensiona ...
By shifting the balance between conformational entropy and internal energy, polymers modify their shape under external stimuli, such as changes in temperature. Prominent among such transformations is the coil-globule transition, whereby a polymer can switc ...
We present Counterexample-Guided Accelerated Abstraction Refinement (CEGAAR), a new algorithm for verifying infinite-state transition systems. CEGAAR combines interpolation-based predicate discovery in counterexample guided predicate abstraction with accel ...
In biomass gasification plants and related research units, on-line analysis of noncondensable compounds (H-2, CO, CO2, CH4, and light hydrocarbons) and condensable compounds (water, tars, etc.) is desired. Long-duration on-line measurements are often a cha ...
Phonon frequency and linewidth as well as quasielastic scattering due to spin energy fluctuations are used to evaluate the evolution of spin correlations in a spin chain system with considerable interchain coupling. In the compound CuSe2O5 these interactio ...
The solid solution 0.5Ba(Ti0.8Zr0.2)O-3-0.5(Ba0.7Ca0.3)TiO3 (BCZT) is a promising lead-free piezoelectric material with exceptionally high piezoelectric coefficients. The strong response is related to structural instabilities close to ambient temperature. ...
Social permutation invariant coordinates are introduced describing the bond network around a given atom. They originate from the largest eigenvalue and the corresponding eigenvector of the contact matrix, are invariant under permutation of identical atoms, ...
We investigate the dispersion of the charge carrier plasmon in the three prototypical charge-density wave bearing transition-metal dichalcogenides 2H-TaSe2, 2H-TaS2, and 2H-NbSe2 employing electron energy-loss spectroscopy. For all three compounds the plas ...
We present Counterexample-Guided Accelerated Abstraction Refinement (CEGAAR), a new algorithm for verifying infinite-state transition systems. CEGAAR combines interpolation-based predicate discovery in counterexample guided predicate abstraction with accel ...