Papers Published

  1. Curtarolo, S. and Kolmogorov, A.N. and Cocks, F.H., High-throughput ab initio analysis of the Bi-In, Bi-Mg, Bi-Sb, In-Mg, In-Sb, and Mg-Sb systems, CALPHAD, Comput. Coupling Phase Diagr. Thermochem. (UK), vol. 29 no. 2 (2005), pp. 155 - 61 [003] .
    (last updated on 2007/04/10)

    Abstract:
    Prediction and characterization of crystal structures of alloys are a key problem in materials research. Using high-throughput ab initio calculations we explore the low-temperature phase diagrams for the following systems: Bi-In, Bi-Mg, Bi-Sb, In-Mg, In-Sb, and Mg-Sb. For the experimentally observed phases in these systems we provide information about their stability at low temperatures. [All rights reserved Elsevier]

    Keywords:
    ab initio calculations;antimony alloys;bismuth alloys;crystal structure;indium alloys;magnesium alloys;phase diagrams;