Iron Interstitial Defects Stability: Under the Uniaxial Stress Effect

Mosab Jaser Banısalman; Takuji Oda

doi:10.17776/csj.359753

TR EN

Tek Eksenli Stres Etkisi Altında Demir Çatlak Kusurları Kararlılığı

Öz

Stres alanlarındaki kusur kinetiğinin anlaşılması, nükleer maddelerin bozulmasının çok boyutlu modellenmesi için önemlidir. Moleküler dinamik (MD) simülasyonu ile, formasyon ve göç enerjisi enerjileri, alfa Fe'de kendiliğinden oluşan atom (SIA) ve SIA kümeleri (1 ~ 3 geçiş reklamları) için değerlendirilmiştir. % 0 ~ 3 tek eksenli sürdürülebilir [100] gerilme etkileri <110> SIAs ve <111> halter konfigürasyonları için test edilmiştir. Kararlılık ile ilgili olarak, <111> halter konfigürasyonları daha büyük suşlarda ve daha büyük kümelerde daha kararlı hale gelir. Hareketlilik için, sürdürülebilir gerilmeler altında tek SIA kusurlarının difüzyonu izlenmiştir. Serbest gerilme koşullarında, SIA kümelerinin difüzivitesi, doymuş gerilmede üç boyutlu (3D) ile bir boyutlu (1D) aşamalı bir geçişe sahiptir. 3D geçiş küçük kümeler ve alt gerilmeler için iken ve büyük ölçüde <110> SIA hizalama konfigürasyonu için sunulurken, 1D geçişi büyük kümeler ve büyük gerginlik için gözlenmiştir. Çekme gerilmesi altında ve küçük kümeler için, difüzyon artırımı daha yüksek bir sıcaklıkta daha büyüktür. Bununla birlikte, sıcaklık etkisi daha büyük kümeler için küçüktür. Gerinim alanlarının bu etkileri, kusurlar ve uygulanan stres alanları arasındaki elastik etkileşim ile açıklanabilir.

Anahtar Kelimeler

Demir,Tek eksenli gerilme,SIA kümeleri,Çatlak kinetiği,Nükleer yapı,Nükleer malzeme. MD

Iron Interstitial Defects Stability: Under the Uniaxial Stress Effect

Abstract

Understanding of defect kinetics under stress fields is important for multiscale modeling of nuclear materials degradation. By means of molecular dynamics (MD) simulation, the formation and migration energies were evaluated for self-interstitial atom (SIA) and SIA clusters (1~3 interstitials) in alpha Fe. Effects of 0~3% uniaxial tensile [100] strains were tested for SIAs of <110> and <111> dumbbell configurations. Regarding the stability, the <111> dumbbell configurations becomes more stabilized at larger strains and larger clusters. For the mobility, the diffusion of single SIA defects under tensile stresses were traced. Under the free-strain condition, the diffusivity of the SIA clusters has a gradual transition from three dimensional (3D) to one dimensional (1D) at saturated strain. The 1D transition was observed for large clusters and large strain while the 3D transition was for small clusters and lower strains and presented mainly for the <110> SIA alignment configuration. Under the tensile stress and for small clusters, diffusivity enhancement is bigger at a higher temperature. However, the temperature effect was small for larger clusters. These effects of strain fields can be explained by elastic interaction between defects and applied stress fields.

Keywords

Iron,Uniaxial stress,SIA clusters,Kinetics of interstitials,Nuclear structure

References

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Details

Primary Language

English

Subjects

-

Journal Section

Conference Paper

Authors

Mosab Jaser Banısalman ^*
Seoul National University
South Korea

Takuji Oda
South Korea

Publication Date

March 16, 2018

Submission Date

November 30, 2017

Acceptance Date

January 31, 2018

Published in Issue

Year 2018 Volume: 39 Number: 1

DOI

https://doi.org/10.17776/csj.359753

IZ

https://izlik.org/JA22LD46UU

Cite

RIS / Bibtex

APA

Banısalman, M. J., & Oda, T. (2018). Iron Interstitial Defects Stability: Under the Uniaxial Stress Effect. Cumhuriyet Science Journal, 39(1), 16-22. https://doi.org/10.17776/csj.359753

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