Computer Simulation of Diffusion in Dilute Al-Fe Alloys

Mikhail Mendelev; Alexey Rodin; Boris S. Bokstein

doi:10.4028/www.scientific.net/DDF.289-292.733

Paper Titles

Atomic Diffusion and its Relation to Thermodynamic Forces in Al-Ni Melts
p.705

Solute Diffusion in Grain Boundaries – Outside the Scope of Fisher Model
p.711

Concentration Characteristics of Diffusion-Induced Recrystallization
p.719

Jump Frequencies of Cd Tracer Atoms in L1₂ Lanthanide Gallides
p.725

Computer Simulation of Diffusion in Dilute Al-Fe Alloys
p.733

Following the First Steps of UV Degradation of High Density Polyethylene by Fluorescence Spectroscopy
p.741

First-Principle Calculation of Monovacancy and Divacancy Interactions with Atomic Oxygen in Nickel: Thermal Expansion Effects
p.747

Motion of Cadmium Tracer Atoms in Al₁₁R₃ Phases (R=La,Ce,Pr)
p.755

Determination of Grain Boundary Diffusion Coefficients in C-Regime by Hwang-Balluffi Method: Silver Diffusion in Pd
p.763

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Computer Simulation of Diffusion in Dilute Al-Fe Alloys

Abstract:

We present results of the molecular dynamics study of Al selfdiffusion, Al and Fe diffusion in Al-Fe dilute alloys. We found that addition of Fe does not change the vacancy formation energy but considerably slows down Al diffusion. We also found that Al and Fe migration energies, i.e. energies of vacancy exchange with Al and Fe atoms, differ very strongly. Both activation energies for Al and Fe diffusion are in satisfactory agreement with available experimental data.