Fcc-to-bct phase transformation of aluminum under triaxial stresses: an ab initio constant pressure study


Durandurdu M.

EUROPEAN PHYSICAL JOURNAL B, cilt.72, ss.241-245, 2009 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 72 Konu: 2
  • Basım Tarihi: 2009
  • Doi Numarası: 10.1140/epjb/e2009-00342-9
  • Dergi Adı: EUROPEAN PHYSICAL JOURNAL B
  • Sayfa Sayısı: ss.241-245

Özet

We have carried out constant pressure ab initio simulations within a generalized gradient approximation to investigate the response of aluminum to triaxial stresses and found that aluminum undergoes a phase transformation from the face-centered cubic structure (fcc) to a body centered tetragonal (bct) structure having the space group of I4/mmm. The critical stress for the fcc-to-bct transformation increases as the ratio of the triaxial stress increases but such a phase transition never occurs under hydrostatic compression. The bct phase is elastically unstable.