Enthalpies of formation of magnesium compounds from first-principles calculations

Hui Zhang, James Saal, Arkapol Saengdeejing, Yi Wang, Long Qing Chen, Zi Kui Liu

Research output: Chapter in Book/Report/Conference proceedingConference contribution

3 Citations (Scopus)

Abstract

An energetics database of binary magnesium alloys has been developed from first-principles calculations. The systems investigated include Mg-As, -Ba, -Ca, -Cd, -Cu, -Dy, -Ga, -Ge, -La, -Lu, -Ni, -Pb, -Sb, -Si, -Sn and -Y. The lattice parameters and the enthalpies of formation of binary compounds in these systems are presented and compared with available experimental data.

Original languageEnglish
Title of host publicationMagnesium Technology 2007 - Proceedings of Symposium Sponsored by the Magnesium Committee of the Light Metals Division of TMS
Pages345-350
Number of pages6
Publication statusPublished - 2007 Aug 20
Externally publishedYes
EventTMS 2007 Annual Meeting and Exhibition - Orlando, FL, United States
Duration: 2007 Feb 252007 Mar 1

Publication series

NameMagnesium Technology
ISSN (Print)1545-4150

Conference

ConferenceTMS 2007 Annual Meeting and Exhibition
CountryUnited States
CityOrlando, FL
Period07/2/2507/3/1

Keywords

  • Enthalpy of formation
  • First-principles
  • Magnesium

ASJC Scopus subject areas

  • Engineering(all)

Fingerprint Dive into the research topics of 'Enthalpies of formation of magnesium compounds from first-principles calculations'. Together they form a unique fingerprint.

  • Cite this

    Zhang, H., Saal, J., Saengdeejing, A., Wang, Y., Chen, L. Q., & Liu, Z. K. (2007). Enthalpies of formation of magnesium compounds from first-principles calculations. In Magnesium Technology 2007 - Proceedings of Symposium Sponsored by the Magnesium Committee of the Light Metals Division of TMS (pp. 345-350). (Magnesium Technology).