The effect of impurity niobium on diffusion of self-interstitial atom and self-diffusion by interstitial mechanism in zirconium: an atomistic simulation | Zendy

M. Yu. Tikhonchev | Zendy

Open Access

The effect of impurity niobium on diffusion of self-interstitial atom and self-diffusion by interstitial mechanism in zirconium: an atomistic simulation

Author(s) -

M. Yu. Tikhonchev

Publication year - 2020

Publication title -

materials research express

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.383

H-Index - 35

ISSN - 2053-1591

DOI - 10.1088/2053-1591/abb2cb

Subject(s) - niobium , self diffusion , diffusion , impurity , atom (system on chip) , zirconium , materials science , effective diffusion coefficient , interstitial defect , mechanism (biology) , zirconium alloy , molecular dynamics , chemical physics , chemistry , thermodynamics , computational chemistry , metallurgy , physics , self service , business , embedded system , marketing , medicine , optoelectronics , quantum mechanics , computer science , organic chemistry , doping , magnetic resonance imaging , radiology

The effect of niobium on diffusion of self-interstitial atom and self-diffusion by interstitial mechanism has been simulated by the molecular dynamics method in zirconium at a temperature up to 1000 K. It has been shown that even a small amount of niobium impurity in the HCP Zr matrix entails significant qualitative and quantitative changes in the diffusion coefficient of a self-interstitial atom and self-diffusion by the interstitial mechanism.

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