The effect of lanthanum on the precipitation of NbC in bcc Fe has been investigated by the first-principles calculations in combination with the experiments. The interactions of La–C are repulsive in the first-, second- and third-nearest-neighbour configurations, and the binding energies of La with Nb were predicted to be positive, and converge to a weak value. The addition of La decreases the solubility of C (above 763 K) and Nb, and increases the chemical potential of these two solutes, thus promoting the precipitation of NbC in bcc Fe. The experimental results show that the La-contained Nb-bearing steel has a relatively faster precipitation rate of NbC than the La-free steel, during isothermal treatment in ferritic region.
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