Diffusion in the AlMo3 Ordered Intermetallic

M.I. Pascuet; Julián R. Fernández; A.M. Monti

doi:10.4028/www.scientific.net/DDF.272.51

Paper Titles

Solid-State Reaction in Al-Fe Binary System Induced by Mechanical Alloying
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Thermal Behaviour of Xenon in a Refractory Metal for Gas Fast Reactor Fuel Elements
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Solid-Phase Diffusion Interaction in Multilayer Thin-Film System Cr/Cu/Ni at Pulse Laser Heating
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Molecular Dynamics Simulation of Brittle Fracture in Bcc Iron
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Diffusion in the AlMo₃ Ordered Intermetallic
p.51

First-Principles Investigation of the Alloying Effect of Mn and Cr in the Kink on the Edge Dislocation in BCC Iron
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Mathematical Modeling of Interface Movement during Diffusional Bonding of Surfaces
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Growth Kinetics of Boride Layers: A Modified Approach
p.79

Structure and Optical Properties of Magnetron Sputtered SiO_x Layers with Silicon Nanoparticles
p.87

HomeDefect and Diffusion ForumDefect and Diffusion Forum Vol. 272Diffusion in the AlMo3 Ordered Intermetallic

Diffusion in the AlMo₃ Ordered Intermetallic

Abstract:

An EAM interatomic potential for the ordered AlMo3 intermetallic is developed and applied to the study of point defects in the AlMo3. The equilibrium concentrations of vacancies and antisites are calculated using statistical thermodynamics. Results show that antisites are the most abundant type of defect in a range of temperatures and compositions close to stoichiometry. Finally, the diffusion by vacancy mechanism in the same structure is studied through the kinetic Monte Carlo technique. Possible atomic mechanisms of diffusion are suggested and analyzed in some detail.