Abstract

A series of studies aimed at extending the Horner-Wagner model for the H-Nb system to higher hydrogen concentrations is described. Using the techniques of lattice statics, ground states analysis, sensitivity analysis, Monte Carlo simulation and the Kikuchi cluster variation method, it is concluded that both long-range electronic interactions and many-body elastic interactions are necessary to predict the ordered phases β and ϵ in addition to the disordered phases α and α'.

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