Title

FORMATION THERMODYNAMICS OF SELF-INTERSTITIALS AND THEIR ROLE IN SELF-DIFFUSION IN AL AND NI: A COMPUTATIONAL STUDY

FORMATION THERMODYNAMICS OF SELF-INTERSTITIALS AND THEIR ROLE IN SELF-DIFFUSION IN AL AND NI: A COMPUTATIONAL STUDY

Authorship

DEBIAGGI, SUSANA RAMOS DE; KONING, MAURICE DE; MONTI, ANA MARÍA

DEBIAGGI, SUSANA RAMOS DE

I am this author

KONING, MAURICE DE

I am this author

MONTI, ANA MARÍA

I am this author

DOI

10.5151/2594-5327-3918

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Abstract

The purpose of this work is to investigate the formation thermodynamics and migration properties of self-interstitials in Al and Ni at high temperatures. The relative stability of these defects is compared to that of vacancies and divacancies, which are the defects usually considered to explain defect concentration and self-diffusion plots. The contribution of interstitials is analyzed in terms of the upward curvature that most fcc metals exhibit for the self-diffusion plots in the high temperature range.

The purpose of this work is to investigate the formation thermodynamics and migration properties of self-interstitials in Al and Ni at high temperatures. The relative stability of these defects is compared to that of vacancies and divacancies, which are the defects usually considered to explain defect concentration and self-diffusion plots. The contribution of interstitials is analyzed in terms of the upward curvature that most fcc metals exhibit for the self-diffusion plots in the high temperature range.

Keywords

self-interstitials in fcc metals, computer simulation, self-diffusion

self-interstitials in fcc metals, computer simulation, self-diffusion