Computational thermodynamic modeling of the Mg-B system

Zi Kui Liu, Y. Zhong, D. G. Schlom, X. X. Xi, Q. Li

Research output: Contribution to journalArticlepeer-review

40 Scopus citations


It has been recently discovered that the compound MgB 2 possesses superconductivity at 39K. To better design and control the fabrication of the MgB 2 compound, a complete thermodynamic description of the system is desirable. In the present work, the phase equilibria and thermodynamic properties of the binary Mg-B system were analyzed and a complete thermodynamic description of the binary system was obtained by means of the CALPHAD technique using a computerized optimization procedure. The thermodynamic descriptions of pure Mg and B elements were taken from the literature. Based on the experimental data, three binary intermetallic compounds, MgB 2, MgB 4 and MgB 6, were considered. Good agreement was obtained between the calculated results and the available experimental data in the literature.

Original languageEnglish (US)
Pages (from-to)299-303
Number of pages5
JournalCalphad: Computer Coupling of Phase Diagrams and Thermochemistry
Issue number2
StatePublished - Jun 2001

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • General Chemical Engineering
  • Computer Science Applications


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