Comparison of formation and evolution of radiation-induced defects in pure Ni and Ni–Co–Fe medium-entropy alloy

Lang, Lin; Deng, Hang; Tao, Jiayou; Yang, Tonghai; Lin, Yeping; Hu, Wangyu

doi:10.1088/1674-1056/ac891e

Cited by 6 publications

(3 citation statements)

References 59 publications

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“…Thus, MD is widely used for simulating the defect evolution in collision cascades. [3][4][5][6][7][8][9][10] However, earlier MD simulations of cascade damage often neglect the influence of electronic effects. In fact, in the collision cascade process, in addition to the interaction between the energetic atoms and the surrounding atoms, there is an energy exchange between the atoms and the electrons.…”

Section: Introductionmentioning

confidence: 99%

Electronic effects on radiation damage in α-iron: A molecular dynamics study

Jiang 江,

Li 李,

Fu 付

et al. 2024

Chinese Phys. B

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Widely used as structural materials in nuclear reactors, iron (Fe) -based alloys experience significant changes in their microstructure and macroscopic properties under high flux neutron irradiation during operation, posing issues associated with the safe operation of nuclear reactors. In this work, a molecular dynamics simulation approach incorporating electronic effects was developed for investigating the primary radiation damage process in α-Fe. Specifically, the influence of electronic effects on the collision cascade in Fe was systematically evaluated based on two commonly used interatomic potentials for Fe. The simulation results revealed that both electronic stopping (ES) and electron–phonon coupling (EPC) contribute to a reduction in the number of defects in the thermal spike phase. The application of ES decreases the number of residual defects after the cascade evolution, whereas EPC has a reverse effect. The introduction of electronic effects promotes the dispersive subcascade formation: ES significantly alters the geometry of the damaged region in the thermal spike phase, whereas EPC mainly reduces the extent of the damaged region. Furthermore, the incorporation of electronic effects effectively mitigates the discrepancies in simulation outcomes when using different interatomic potentials.

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Section: Introductionmentioning

confidence: 99%

Electronic effects on radiation damage in α-iron: A molecular dynamics study

Jiang 江,

Li 李,

Fu 付

et al. 2024

Chinese Phys. B

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“…Many studies have shown that these alloys participate in the damage cascade processes by which a considerable amount of information-the generation, distribution, and evolution of defects-is acquired in the mechanism of radiation resistance [49][50][51][52][53]. The defect clusters (vacancy clusters and interstitial clusters) become independent individuals for Ni-containing HEAs that play a vital role in inhibiting swelling [22,24,35,37,44,50]. The generation of dislocation during the process of the damage cascade is beneficial for reducing the radiation hardening of FeNiMnCr HEAs at room temperature and higher [41].…”

Section: Introductionmentioning

confidence: 99%

Defects Act in an “Introverted” Manner in FeNiCrCoCu High-Entropy Alloy under Primary Damage

Zhang,

Kan,

Liang

et al. 2024

Metals

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High-entropy alloys (HEAs) attract much attention as possible radiation-resistant materials due to their several unique properties. In this work, the generation and evolution of the radiation damage response of an FeNiCrCoCu HEA and bulk Ni in the early stages were explored using molecular dynamics (MD). The design, concerned with investigating the irradiation tolerance of the FeNiCrCoCu HEA, encompassed the following: (1) The FeNiCrCoCu HEA structure was obtained through a hybrid method that combined Monte Carlo (MC) and MD vs. the random distribution of atoms. (2) Displacement cascades caused by different primary knock-on atom (PKA) energy levels (500 to 5000 eV) of the FeNiCrCoCu HEA vs. bulk Ni were simulated. There was almost no element segregation in bulk FeNiCrCoCu obtained with the MD/MC method by analyzing the Warren–Cowley short-range order (SRO) parameters. In this case, the atom distribution was similar to the random structure that was selected as a substrate to conduct the damage cascade process. A mass of defects (interstitials and vacancies) was generated primarily by PKA departure. The number of adatoms grew, which slightly roughened the surface, and the defects were distributed deeper as the PKA energy increased for both pure Ni and the FeNiCrCoCu HEA. At the time of thermal spike, one fascinating phenomenon occurred where the number of Frenkel pairs for HEA was more than that for pure Ni. However, we obtained the opposite result, that fewer Frenkel pairs survived in the HEA than in pure Ni in the final state of the damage cascade. The number and size of defect clusters grew with increasing PKA energy levels for both materials. Defects were suppressed in the HEA; that is to say, defects were “cowards”, behaving in an introverted manner according to the anthropomorphic rhetorical method.

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“…Medium-entropy alloys (MEAs) [1][2][3] have been attracting the attention of researchers due to their excellent mechanical properties, [4][5][6][7][8] especially the alloy systems based on Al and the fourth row elements Fe, Co, Ni, Cr, Cu, Mn and Ti, and Pd. [9][10][11][12][13][14][15] For example, Lang et al 14 studied and compared the formation and evolution of irradiation-induced defects in CoNiFe alloys and pure Ni using molecular dynamics (MD) simulations. They found that the defect recombination rate of ternary CoNiFe MEA was higher than that of pure Ni, which was mainly due to the decrease in the energy dissipated by atomic displacements during cascade collisions with the increase of chemical disorder.…”

Section: Introductionmentioning

confidence: 99%