First Principles Design of Ductile Refractory Alloys

نویسندگان

  • Michael C. Gao
  • Ömer N. Doğan
  • Paul King
  • Anthony D. Rollett
  • Michael Widom
چکیده

The purpose of this work is to predict elastic and thermodynamic properties of Cr-based alloys based on first-principles calculations and to demonstrate an appropriate computational approach to develop new materials for high-temperature applications in energy systems. In this study, we choose Poisson’s ratio as screening parameter for identifying ductilizing additives to the refractory alloys. Our results predict that elements such as Ti, V, Zr, Nb, Hf and Ta show

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تاریخ انتشار 2009