Interaction of carbon with microstructural defects in a W-Re matrix: An ab initio assessment

A. Bakaev; A. Zinovev; D. Terentyev; G. Bonny; C. Yin; N. Castin; Yu A. Mastrikov; E. E. Zhurkin

doi:10.1063/1.5094441

Interaction of carbon with microstructural defects in a W-Re matrix: An ab initio assessment

A. Bakaev^*
, A. Zinovev
, D. Terentyev
, G. Bonny
, C. Yin
, N. Castin
, Yu A. Mastrikov
, E. E. Zhurkin

^*Šī darba korespondējošais autors

Pašorganizēto sistēmu kinētikas laboratorija, Cietvielu fizikas institūts

Belgian Nuclear Research Center
Peter the Great St. Petersburg Polytechnic University
Université catholique de Louvain

Zinātniskās darbības rezultāts: Devums žurnālam › Zinātniskais raksts (žurnālā) › koleģiāli recenzēts

23 Atsauces (Scopus)

Kopsavilkums

The

Oriģinālvaloda	Angļu
Raksta numurs	075110
Žurnāls	Journal of Applied Physics
Sējums	126
Izdevuma numurs	7
DOIs	https://doi.org/10.1063/1.5094441
Publikācijas statuss	Publicēts - 21 aug. 2019

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note = "Publisher Copyright: {\textcopyright} in W and a W-Re matrix is studied by means of ab initio calculations. The structure and energetics of the ground-state atomic configurations are presented and rationalized. It is found that di-vacancies, which are thermally unstable in pure W according to the state-of-the-art ab initio calculations, can nucleate at C and Re-C complexes, which fill the gap in the explanation of the emergence of nanovoids observed experimentally under irradiation. Also, on the basis of the recent experimental evidence and our calculations, the temperature ranges for the manifestation of the yield drop phenomenon, which is related to the obstruction of dislocation motion due to their decoration by impurities such as carbon, are revealed. {\textcopyright} 2019 Author(s).",

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AU - Castin, N.

AU - Mastrikov, Yu A.

AU - Zhurkin, E. E.

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