Investigating the formation mechanism of void lattice in tungsten under neutron irradiation: from collision cascades to ordered nanovoids

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Investigating the formation mechanism of void lattice in tungsten under neutron irradiation: from collision cascades to ordered nanovoids. / Zhong-Zhu, Li; Li, Yu-Hoa; Terentyev, Dmitry; Castin, Nicolas; Bakaev, Alexander; Bonny, Giovanni; Yang, Zhangcan; Lian, Linyun; Zhou, Hong-Bo; Gao, Fei; Lu, Guang-Hong.

In: Acta Materialia, Vol. 219, 117239, 12.08.2021, p. 1-15.

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Zhong-Zhu, Li ; Li, Yu-Hoa ; Terentyev, Dmitry ; Castin, Nicolas ; Bakaev, Alexander ; Bonny, Giovanni ; Yang, Zhangcan ; Lian, Linyun ; Zhou, Hong-Bo ; Gao, Fei ; Lu, Guang-Hong. / Investigating the formation mechanism of void lattice in tungsten under neutron irradiation: from collision cascades to ordered nanovoids. In: Acta Materialia. 2021 ; Vol. 219. pp. 1-15.

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@article{d55ae3acab944355ba34b0e0723814d2,
title = "Investigating the formation mechanism of void lattice in tungsten under neutron irradiation: from collision cascades to ordered nanovoids",
abstract = "The “void lattice”formed by periodic arrangements of voids, usually replicating the symmetry and crys- tallographic orientation of the host matrix, is an interesting phenomenon in materials under neutron irradiation. In this work, taking tungsten (W) as an example, we explore the formation mechanism of the void lattice using an object kinetic Monte Carlo (OKMC) model together with the collision cascades simulated by the molecular dynamics method. The entire formation processes from the chaotic neutron irradiation defects to the observable void lattice are reproduced via OKMC simulation, which could be divided into three stages: nucleation, incubation and growth. It is found that both the one-dimensional (1D) migration of SIAs and the fraction of clustered vacancies in cascades play a critical role in the for- mation of the void lattice. On the one hand, the 1D migration of SIAs leads to the mutual protection of voids aligned in < 111 > directions. The self-shielded voids may therefore grow faster than the unaligned ones. On the other hand, a moderate fraction of clustered vacancies in cascades guarantees the stable nu- cleation and growth rates of voids. Once the density of the < 111 > aligned voids reaches a critical value, the shrinkage rate of the unaligned voids will overwhelm their growth rate, leading to the formation of void-free channels and thus the void lattice. Our results reveal the synergistic effects of the fraction of clustered vacancies in cascades and 1D migration of SIAs for the formation of the void lattice in W under neutron irradiation, which improves the fundamental understanding of the self-assembled microstruc- tures in irradiated materials.",
keywords = "Void lattice, Neutron irradiation, Self-organization, Self-interstitial atom",
author = "Li Zhong-Zhu and Yu-Hoa Li and Dmitry Terentyev and Nicolas Castin and Alexander Bakaev and Giovanni Bonny and Zhangcan Yang and Linyun Lian and Hong-Bo Zhou and Fei Gao and Guang-Hong Lu",
note = "Score=10",
year = "2021",
month = aug,
day = "12",
doi = "10.1016/j.actamat.2021.117239",
language = "English",
volume = "219",
pages = "1--15",
journal = "Acta Materialia",
issn = "1359-6454",
publisher = "Elsevier",

}

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TY - JOUR

T1 - Investigating the formation mechanism of void lattice in tungsten under neutron irradiation: from collision cascades to ordered nanovoids

AU - Zhong-Zhu, Li

AU - Li, Yu-Hoa

AU - Terentyev, Dmitry

AU - Castin, Nicolas

AU - Bakaev, Alexander

AU - Bonny, Giovanni

AU - Yang, Zhangcan

AU - Lian, Linyun

AU - Zhou, Hong-Bo

AU - Gao, Fei

AU - Lu, Guang-Hong

N1 - Score=10

PY - 2021/8/12

Y1 - 2021/8/12

N2 - The “void lattice”formed by periodic arrangements of voids, usually replicating the symmetry and crys- tallographic orientation of the host matrix, is an interesting phenomenon in materials under neutron irradiation. In this work, taking tungsten (W) as an example, we explore the formation mechanism of the void lattice using an object kinetic Monte Carlo (OKMC) model together with the collision cascades simulated by the molecular dynamics method. The entire formation processes from the chaotic neutron irradiation defects to the observable void lattice are reproduced via OKMC simulation, which could be divided into three stages: nucleation, incubation and growth. It is found that both the one-dimensional (1D) migration of SIAs and the fraction of clustered vacancies in cascades play a critical role in the for- mation of the void lattice. On the one hand, the 1D migration of SIAs leads to the mutual protection of voids aligned in < 111 > directions. The self-shielded voids may therefore grow faster than the unaligned ones. On the other hand, a moderate fraction of clustered vacancies in cascades guarantees the stable nu- cleation and growth rates of voids. Once the density of the < 111 > aligned voids reaches a critical value, the shrinkage rate of the unaligned voids will overwhelm their growth rate, leading to the formation of void-free channels and thus the void lattice. Our results reveal the synergistic effects of the fraction of clustered vacancies in cascades and 1D migration of SIAs for the formation of the void lattice in W under neutron irradiation, which improves the fundamental understanding of the self-assembled microstruc- tures in irradiated materials.

AB - The “void lattice”formed by periodic arrangements of voids, usually replicating the symmetry and crys- tallographic orientation of the host matrix, is an interesting phenomenon in materials under neutron irradiation. In this work, taking tungsten (W) as an example, we explore the formation mechanism of the void lattice using an object kinetic Monte Carlo (OKMC) model together with the collision cascades simulated by the molecular dynamics method. The entire formation processes from the chaotic neutron irradiation defects to the observable void lattice are reproduced via OKMC simulation, which could be divided into three stages: nucleation, incubation and growth. It is found that both the one-dimensional (1D) migration of SIAs and the fraction of clustered vacancies in cascades play a critical role in the for- mation of the void lattice. On the one hand, the 1D migration of SIAs leads to the mutual protection of voids aligned in < 111 > directions. The self-shielded voids may therefore grow faster than the unaligned ones. On the other hand, a moderate fraction of clustered vacancies in cascades guarantees the stable nu- cleation and growth rates of voids. Once the density of the < 111 > aligned voids reaches a critical value, the shrinkage rate of the unaligned voids will overwhelm their growth rate, leading to the formation of void-free channels and thus the void lattice. Our results reveal the synergistic effects of the fraction of clustered vacancies in cascades and 1D migration of SIAs for the formation of the void lattice in W under neutron irradiation, which improves the fundamental understanding of the self-assembled microstruc- tures in irradiated materials.

KW - Void lattice

KW - Neutron irradiation

KW - Self-organization

KW - Self-interstitial atom

UR - https://ecm.sckcen.be/OTCS/llisapi.dll/open/45824560

U2 - 10.1016/j.actamat.2021.117239

DO - 10.1016/j.actamat.2021.117239

M3 - Article

VL - 219

SP - 1

EP - 15

JO - Acta Materialia

JF - Acta Materialia

SN - 1359-6454

M1 - 117239

ER -

ID: 7203510