Papers Published

  1. Curtarolo, Stefano and Kolmogorov, Aleksey N. and Cocks, Franklin Hadley, High-throughput ab initio analysis of the Bi-In, Bi-Mg, Bi-Sb, In-Mg, In-Sb, and Mg-Sb systems, Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, vol. 29 no. 2 (2005), pp. 155 - 161 [003] .
    (last updated on 2007/04/06)

    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. © 2005 Elsevier Ltd. All rights reserved.

    Crystal structure;Thermal effects;Phase diagrams;Intermetallics;Magnesium printing plates;Indium;Bismuth;Antimony;Transition metals;Annealing;Precipitation (chemical);Data mining;Probability density function;