First principles phase diagram calculations for the octahedral-interstitial system ZrOX, 0 ≤ X ≤ 1=2

Journal of the Physical Society of Japan

Volumn 81, Issue 1, 2012, Pages

  Burton, Benjamin Paul ^a   Van De Walle, Axel ^b   Stokes, Harold T ^c  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^b California Institute of Technology   (United States)

^c Brigham Young University   (United States)

Author keywords

Alloy theory; First principles; Order disorder; Phase diagram calculation; Vacancy interstitial ordering; Zircalloy; Zr suboxides; ZrOX

Indexed keywords

EID: 84855261974     PISSN: 00319015     EISSN: 13474073     Source Type: Journal    
DOI: 10.1143/JPSJ.81.014004     Document Type: Article

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