Understanding slow-growing alumina scale mediated by reactive elements: Perspective via local metal-oxygen bonding strength
Journal Article
·
· Scripta Materialia
- Pennsylvania State University, University Park, PA (United States)
- University of Pittsburgh, PA (United States)
Interatomic bonding strength/energy can be quantified by stretching force constants (SFC) after first-principles phonon calculations. In this report 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.
- Research Organization:
- Pennsylvania State Univ., University Park, PA (United States)
- Sponsoring Organization:
- USDOE Office of Fossil Energy (FE); National Science Foundation (NSF)
- Grant/Contract Number:
- FE0024056; AC02-05CH11231
- OSTI ID:
- 1538803
- Alternate ID(s):
- OSTI ID: 1548558
- Journal Information:
- Scripta Materialia, Vol. 150, Issue C; ISSN 1359-6462
- Publisher:
- ElsevierCopyright Statement
- Country of Publication:
- United States
- Language:
- English
Cited by: 21 works
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