Journal ArticleDOI
A quantitative demonstration of the grain boundary diffusion mechanism for the oxidation of metals
TLDR
In this article, the authors report measurements of the oxide scale thickness and oxide grain size as a function of time during the oxidation of high-purity nickel in the temperature range 500-800°C.Abstract:
Below 1000°C the oxidation of nickel cannot be controlled by the diffusion of ions through the bulk crystal lattice of the pure oxide, because the measured oxidation rates are several orders of magnitude faster than would be predicted on this basis. Short-circuit diffusion through oxide grain boundaries or dislocations has usually been held responsible, but there has hitherto been no proper quantitative confirmation of this mechanism. We report measurements of the oxide scale thickness and oxide grain size as a function of time during the oxidation of high-purity nickel in the temperature range 500–800°C. All the oxidation experiments were carried out in pure oxygen at a pressure of one atmosphere. The measured parabolic oxidation rate constants have been compared with those calculated from grain boundary diffusion data obtained in our previous work, using a grain boundary diffusion model for the oxidation process. The quantitative agreement between measured and calculated oxidation rates shows c...read more
Citations
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Investigation of the electronic, magnetic, elastic, thermodynamic and thermoelectric properties of Mn2CoCr Heusler compound: A DFT-based simulation
TL;DR: In this article, a full Heusler compound, Mn2CoCr, has been investigated for its mechanical, thermodynamic and thermoelectric prospective for the first time using full potential linearized augmented plane wave (FP-LAPW) method in support of density functional theory.
Journal ArticleDOI
Phase stability and mechanical properties of hafnium borides: A first-principles study
TL;DR: The structural stability and mechanical properties of Hf-B compounds are related not only to boron concentration in a system but also to the localized hybridization and bond characteristic as mentioned in this paper.
Journal ArticleDOI
First-principles investigation of structural, elastic, electronic and magnetic properties of Be0.75Co0.25Y (YS, Se and Te) compounds
TL;DR: In this paper, the structural, elastic, electronic and magnetic properties of Be 0.75 Co 0.25 Y (Y S, Se and Te) alloys, in their zinc-blend phase, were investigated by using the full-potential augmented plane wave plus local orbitals method within the density functional theory.
Journal ArticleDOI
First-principles investigation on structural, elastic, electronic and thermodynamic properties of filled skutterudite PrFe4P12 compound for thermoelectric applications
Mohammed Ameri,Belfedhal Abdelmounaim,Mokhtar Sebane,Rabah Khenata,Dinesh Varshney,B. Bouhafs,Yarub Al-Douri,Keltouma Boudia,Ibrahim Ameri +8 more
TL;DR: In this article, the structural and elastic properties of the cubic PrFe4P12 skutterudite were investigated using the full potential linear muffin-tin orbital method with the local density approximation for the exchange correlation potential.
Journal ArticleDOI
Elastic properties of Ca-based metallic glasses predicted by first-principles simulations
Michael Widom,B. Sauerwine,Andrew M. Cheung,S. J. Poon,P. Tong,Despina Louca,Gary J. Shiflet +6 more
TL;DR: In this article, the elastic moduli of Ca-based metallic glass-forming alloys are investigated and the authors predict that alloying Ca with Mg and Zn should result in relatively ductile glasses compared to alloying with Ag, Cu, or Al.
References
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Journal ArticleDOI
Beitrag zur Theorie des Anlaufvorgangs
TL;DR: The Mechanismus des Diffusionsvorgangs is still weitgehend unbekannt as discussed by the authors, i.e., the Diffusion of mindestens einem der beiden Bestandteile durch die Anlaufschicht is notwendig.
Journal ArticleDOI
The diffusion of 63Ni along grain boundaries in nickel oxide
A. Atkinson,R. I. Taylor +1 more
TL;DR: The product of the grain boundary diffusion coefficient and width, D′δ, has been measured directly for the diffusion of 63Ni along grain boundaries in high-purity NiO as discussed by the authors.
Journal ArticleDOI
The role of oxide microstructure and growth stresses in the high-temperature scaling of nickel
F. N. Rhines,J. S. Wolf +1 more
TL;DR: In this article, the formation of new nickel oxide upon boundaries of columnar grains where nickel diffusing through the oxide crystals, meets oxygen, diffusing along grain boundaries is identified as the primary cause of this stress.
Journal ArticleDOI
The diffusion of Ni in the bulk and along dislocations in NiO single crystals
A. Atkinson,R. I. Taylor +1 more
TL;DR: In this paper, diffusion profiles of 63Ni tracer in single crystals of NiO following anneals at 522°-1000°C have been determined by a radio-frequency sputter-sectioning technique.
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