Understanding slow-growing alumina scale mediated by reactive elements: Perspective via local metal-oxygen bonding strength

Shun Li Shang, Yi Wang, Brian Gleeson, Zi Kui Liu

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

Interatomic bonding strength/energy can be quantified by stretching force constants (SFC) after first-principles phonon calculations. Here, we show that the slow-growing alumina (α-Al2O3) scale mediated by reactive elements (REs) can be understood via the strong RE–O bonding energy from the present SFC model applied to oxides (Al2O3, Cr2O3, Ti2O3, ZrO2, HfO2, Y2O3, and La2O3), Al3M, and Al47MO72 (M = Cr, Ti, Zr, Hf, Y, and La). The present model indicates that Hf is the best RE in retarding alumina scale growth, agreeing with the analyses from bulk modulus, melting point, and enthalpy of formation of oxides, and experimental observations.

Original languageEnglish (US)
Pages (from-to)139-142
Number of pages4
JournalScripta Materialia
Volume150
DOIs
StatePublished - Jun 2018

All Science Journal Classification (ASJC) codes

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

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