Computation assisted design of favored composition for ternary Mg-Cu-Y metallic glass formation.

@article{Wang2015ComputationAD,
  title={Computation assisted design of favored composition for ternary Mg-Cu-Y metallic glass formation.},
  author={Qinsi Wang and Jinghong Li and Baixin Liu},
  journal={Physical chemistry chemical physics : PCCP},
  year={2015},
  volume={17 22},
  pages={14879-89}
}
With the aid of ab initio calculations, a realistic interatomic potential was constructed for the Mg-Cu-Y ternary system under the proposed formalism of smoothed and long-range second-moment approximation of tight-binding. Taking the potential as the starting base, an atomistic computation/simulation route was developed for designing favored and optimized… CONTINUE READING