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Oxidation of nanocrystalline aluminum by variable charge molecular dynamics

โœ Scribed by A. Perron; S. Garruchet; O. Politano; G. Aral; V. Vignal

Book ID
108191675
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
382 KB
Volume
71
Category
Article
ISSN
0022-3697

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๐Ÿ“œ SIMILAR VOLUMES

A variable charge molecular dynamics stu
A variable charge molecular dynamics study of the initial stage of nickel oxidation
โœ S. Garruchet; O. Politano; P. Arnoux; V. Vignal ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 885 KB

The oxidation of nickel single crystals is investigated by using variable charge molecular dynamics. The simulations are performed on three nickel low-index surfaces ((1 0 0), (1 1 0) and (1 1 1)) at temperatures between 300 K and 950 K. The results show that the shape of the oxidation kinetics is i

Diffusion of oxygen in nickel: A variabl
Diffusion of oxygen in nickel: A variable charge molecular dynamics study
โœ S. Garruchet; O. Politano; P. Arnoux; V. Vignal ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 991 KB

Variable charge molecular dynamics have been performed to study the diffusion mechanisms of oxygen atoms (O) in nickel (Ni) in the temperature range 950 K-1600 K. It is observed that oxygen does not diffuse via jumps of oxygen through interstitial sites but via a vacancy diffusion mechanism. The oxy