First-principles calculations of twin-boundary and stacking-fault energies in magnesium

Y. Wang, L. Q. Chen, Z. K. Liu, S. N. Mathaudhu

Research output: Contribution to journalArticle

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The interfacial energies of twin boundaries and stacking faults in metal magnesium have been calculated using first-principles supercell approach. Four types of twin boundaries and two types of stacking faults are investigated, namely, those due to the (1 0 over(1, ̄) 1) mirror reflection, the (1 0 over(1, ̄) 1) mirror glide, the (1 0 over(1, ̄) 2) mirror reflection, the (1 0 over(1, ̄) 2) mirror glide, the I1 stacking fault and the I2 stacking fault. The effects of supercell size on the calculated interfacial energies are examined.

Original languageEnglish (US)
Pages (from-to)646-649
Number of pages4
JournalScripta Materialia
Issue number9
Publication statusPublished - May 1 2010


All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys

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