Computational modeling of effects of alloying elements on elastic coefficients

Z. K. Liu, H. Zhang, S. Ganeshan, Y. Wang, S. N. Mathaudhu

Research output: Contribution to journalArticlepeer-review

43 Scopus citations


Models for composition and temperature dependencies of single-crystal elastic stiffness coefficients are developed and applied to the Al 12Mg17 and hexagonal closed-packed solution phases in the Mg-Al system based on data from first-principles calculations. In combination with models for multi-phases, the bulk, shear, and Young's moduli of Mg-Al alloys are predicted and compared with available experimental data in the literature. It is noted that both phase transition and grain boundary sliding may play important roles in the elastic coefficients as a function of temperature.

Original languageEnglish (US)
Pages (from-to)686-691
Number of pages6
JournalScripta Materialia
Issue number7
StatePublished - Oct 2010

All Science Journal Classification (ASJC) codes

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys


Dive into the research topics of 'Computational modeling of effects of alloying elements on elastic coefficients'. Together they form a unique fingerprint.

Cite this