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HomeDiffusion FoundationsDiffusion Foundations Vol. 29Vacancy-Mediated Diffusion and...

Vacancy-Mediated Diffusion and Diffusion-Controlled Processes in Ordered Binary Intermetallics by Kinetic Monte Carlo Simulations

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Abstract:

We review the results of our Monte Carlo simulation studies carried out within the past two decades in the area of atomic-migration-controlled phenomena in intermetallic compounds. The review aims at showing the high potential of Monte Carlo methods in modelling both the equilibrium states of the systems and the kinetics of the running processes. We focus on three particular problems: (i) the atomistic origin of the complexity of the ‘order-order’ relaxations in γ’-Ni₃Al; (ii) surface-induced ordering phenomena in γ-FePt and (iii) ‘order—order’ kinetics and self-diffusion in the ‘triple-defect’ β-NiAl. The latter investigation demonstrated how diverse Monte Carlo techniques may be used to model the phenomena where equilibrium thermodynamics interplays and competes with kinetic effects.

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Periodical:

Diffusion Foundations (Volume 29)

Pages:

95-115

DOI:

https://doi.org/10.4028/www.scientific.net/DF.29.95

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Online since:

April 2021

Authors:

Rafał Leszek Abdank-Kozubski*, Graeme E. Murch, Irina V. Belova

Keywords:

Intermetallic Compounds, Monte Carlo Simulations, 'Order-Order' Relaxation, Self-Diffusion, Vacancy-Mediated Atomic Migration

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