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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Journal ArticleDOI
Phase stability and mechanical properties of rhenium borides by first-principles calculations.
TL;DR: The phase stability and elastic properties of ReB system were systematically investigated by use of the density functional theory and it was found that the ground state phases are Re3B, Re7B3, and ReB2 at zero pressure, in agreement with the experimental observations.
Journal ArticleDOI
Elastic and optoelectronic properties of RbMF3 (M=Zn, Cd, Hg): A mBJ density functional calculation
TL;DR: In this paper, the structural, elastic, electronic and optical properties of cubic fluoroperovskites RbMF3 (M=Zn, Cd and Hg) compounds have been calculated using a full-potential augmented plane (FPLAPW) method within the density functional theory.
Journal ArticleDOI
First-principles investigation on the elastic, magnetic and electronic properties of MFe3N (M = Fe, Ru, Os)
TL;DR: The elastic, magnetic and electronic properties of MFe3N (M = Fe, Ru, Os) are investigated via first-principles calculations in this article, and the calculated results are in agreement with the experimental and other theoretical data.
Journal ArticleDOI
Potential lead-free small band gap halide double perovskites Cs 2 CuMCl 6 (M = Sb, Bi) for green technology.
Muskan Nabi,Dinesh C. Gupta +1 more
TL;DR: In this paper, the density functional theory is used to investigate the different physical properties of double perovskites, and the stability of these cubic materials is validated by optimizing the structure, tolerance factor, mechanical stability test.
Journal ArticleDOI
First-principles study on the structural, elastic, electronic and optical properties of LiNbO3.
M. M. Hossain,M. M. Hossain +1 more
TL;DR: The structural, electronic, elastic, mechanical and optical properties of technologically important lithium niobate (LiNbO3) have been investigated by using the first-principle calculations based on density functional theory (DFT) implemented in the CASTEP code.
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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