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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Structural, elastic, electronic and thermal properties of the cubic perovskite-type BaSnO3
A. Bouhemadou,K. Haddadi +1 more
TL;DR: In this article, the structural, elastic, electronic and thermal properties of cubic perovskite-type BaSnO 3 were investigated and the ground-state properties were in agreement with experimental data.
Journal ArticleDOI
Molecular dynamic simulations on the structures and properties of ɛ-CL-20(0 0 1)/F2314 PBX
TL;DR: Molecular dynamical simulations with the COMPASS force field were employed to investigate the influences of temperature (T), the concentration of F(2314) binder (W%), and crystal defects on the mechanical properties, binding energy (E(bind)), and detonation properties of epsilon-CL-20(001)/F( 2314) PBX (polymer bonded explosives).
Journal ArticleDOI
Enhanced ideal strength of thermoelectric half-Heusler TiNiSn by sub-structure engineering
Guodong Li,Guodong Li,Qi An,Qi An,Umut Aydemir,William A. Goddard,Max Wood,Pengcheng Zhai,Qingjie Zhang,G. Jeffrey Snyder,G. Jeffrey Snyder +10 more
TL;DR: In this article, the authors applied density functional theory to investigate the response along various tensile and shear deformations of TiNiSn and found that the substitution of Ti by Hf and Zr can enhance the ideal shear strength to 12.17 GPa in Hf0.5Zr 0.5NiSn.
Journal ArticleDOI
Influence of vacancies on the mechanical and thermodynamic properties of TM2B3(TM=Ru and Os) borides from first-principles calculations
TL;DR: In this paper, the influence of vacancy on the Vickers hardness, elastic modulus and thermodynamic properties of transition metal borides with layered structure is investigated by means of first-principles approach.
Journal ArticleDOI
Elastic properties and bonding of the AgGaSe2 chalcopyrite
Tarik Ouahrani,Alberto Otero-de-la-Roza,Ali H. Reshak,Rabah Khenata,H.I. Faraoun,Bouhalouane Amrani,M. Mebrouki,Víctor Luaña +7 more
TL;DR: In this paper, fullpotential linearized augmented plane waves (FPLAPW) calculations have been used to determine the equilibrium properties and elastic constants of the chalcopyrite phase of AgGaSe2.
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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