Molecular dynamics simulation of shock-induced melting and alloying

POSTER

Abstract

We observe sequent shock-induced melting processes occurring in Ni/Al nanonaminates by means of molecular dynamics simulations. We find a nice collaboration between the melting and alloying: the heat released from the exothermic alloying reactions facilitates the local melting in the respective Ni/Al bilayer; the liquid films from the local melting accelerate the exothermic alloying reactions. On the other hand, we uncover a keen competition between the melting and alloying from the overall pressure variation: the structural expansion upon melting leads to an increase of the pressure while the alloying reactions tend to decrease the pressure.

*This work is supported by the Laboratory Directed Research and Development program (project no. LDRD-20050343ER) at Los Alamos National Laboratory, which is operated by Los Alamos National Security, LLC (LANS) under Contract DE-AC52-06NA25396 with US DOE.

Authors

  • Shijin Zhao

    • Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545

  • Timothy C. Germann

    • Applied Physics Division, Los Alamos National Laboratory, Los Alamos, NM 87545

  • Alejandro Strachan

    • School of Materials Engineering, Purdue University, West Lafayette, IN 47907