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  1. No Access

    Article

    Precipitates of Cr at Σ3 <110> {112} GB in α-Fe

    Precipitates of Cr at Σ3 <110> {112} GB in α-Fe have been studied using molecular dynamics with a two-band embedded atomic model potential. The accumulation and segregation of Cr atoms and the evolution of the...

    Y. Y. Dai, L. Ao, Q. Q. Sun, L. Yang, J. L. Nie… in MRS Online Proceedings Library (2014)

  2. No Access

    Article

    Adsorption of O on Mo(110) surface from first-principles calculation

    First-principles calculations based on density functional theory (DFT) have been performed to study O adsorption in on-surface and subsurface sites. For different coverages, hollow site is found to be the most...

    Y. G. Zhou, X. T. Zu, J. L. Nie, F. Gao in The European Physical Journal B (2009)