Effects of grain boundary on irradiation-induced zero-dimensional defects in an irradiated copper

Peng, Jing; Cui, Shiyong; Tian, Yuanyuan; Fang, Qihong; Li, Jia; Liaw, Peter K.

doi:10.1007/s10483-022-2803-5

Cited by 6 publications

(3 citation statements)

References 35 publications

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“…Intriguingly, the sink efficiency of GBs exhibits notable heterogeneity and varies with the energy level, disorientation angle, etc [86,87,89,91]. The evolutions and distributions of point defects in the single-crystalline, bicrystalline, and twinned crystalline copper have been explored by Peng et al [92] They found that the interstitials are preferentially segregated near GBs, and the absorption efficiency and influence rage increase with GB energy. Moreover, by comparing the radiation tolerance between equilibrium and nonequilibrium GBs, it is evident that the latter exhibit stronger sink efficiency, resulting in the reduction in both the average size and number of defect clusters, i.e.…”

Section: Role Of Chemical Complexity In Gb-defects Interaction Under ...mentioning

confidence: 99%

Metastable grain boundaries: the roles of structural and chemical disorders in their energetics, non-equilibrium kinetic evolution, and mechanical behaviors

He,

Wang,

Fan

2024

J. Phys.: Condens. Matter

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Complex environments in advanced manufacturing usually involve ultrafast laser or ion irradiation which leads to rapid heating and cooling and drives grain boundaries (GBs) to non-equilibrium states, featuring distinct energetics and kinetic behaviors compared to conventional equilibrium or near-equilibrium GBs. In this topical review, we provide an overview of both recent experimental and computational studies on metastable GBs, i.e. their energetics, kinetic behaviors, and mechanical properties. In contrast to GBs at thermodynamic equilibrium, the inherent structure energy of metastable GBs exhibits a spectrum instead of single value for a particular misorientation, due to the existence of microstructural and chemical disorder. The potential energy landscape governs the energetic and kinetic behaviors of metastable GBs, including the ageing/rejuvenating mechanism and activation barrier distributions. The unique energetics and structural disorder of metastable GBs lead to unique mechanical properties and tunability of interface-rich nanocrystalline materials. We also discuss that, in addition to structural disorder, chemical complexity in multi-components alloys could also drive the GBs away from their ground states and, subsequently, significantly impact on the GBs-mediated deformation. And under some extreme conditions such as irradiation, structural disorders and chemical complexity may simultaneously present at interfaces, further enriching of metastability of GBs and their physical and mechanical behaviors. Finally, we discuss the machine learning techniques, which have been increasingly employed to predict and understand the complex behaviors of metastable GBs in recent years. We highlight the potential of data-driven approaches to revolutionize the study of disorder systems by efficiently extracting the relationship between structural features and material properties. We hope this topical review paper could shed light and stimulate the development of new GBs engineering strategies that allow more flexibility and tunability for the design of nano-structured materials.

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Section: Role Of Chemical Complexity In Gb-defects Interaction Under ...mentioning

confidence: 99%

Metastable grain boundaries: the roles of structural and chemical disorders in their energetics, non-equilibrium kinetic evolution, and mechanical behaviors

He,

Wang,

Fan

2024

J. Phys.: Condens. Matter

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“…[21,23] Due to the limitations of experiments, classical molecular dynamics (MD) is still the most appropriate method to study the creation, mobility, clustering, and interaction of point defects, attributing to its success in providing atomic-level information on displacement damage on the dimension of ps-nm in various materials in the past few decades. [21][22][23][24][25] In this work, to illustrate the irradiation response of Ti35 alloy, MD simulations were utilized to investigate collision cascades within the material. A single crystal of hcp Ti was chosen as a model material to understand the primary damage formation in Ti35 alloy, consistent with previous studies in terms of system simplification.…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Studies of Primary Irradiation Damage in α‐Type Ti35 Alloy

Liu

Cai

et al. 2023

Physica Status Solidi (b)

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α‐type Ti35 alloy (Ti‐6 wt%Ta) has been recommended as one of the candidate materials for advanced nuclear reactors due to its excellent overall performance. Nonetheless, irradiation effects on the alloy remain scarcely understood by far. Herein, the primary irradiation damage of Ti35 alloy is investigated from multiple perspectives using atomistic simulations. Results show that with the increasing energy of the primary knock‐on atom (2 keV ≤ E PKA ≤ 10 keV), the number of Frenkel pairs (N FP) gradually increases independent of the incident direction of PKA (IDPKA) and the ambient temperature (100 K ≤ T ≤ 700 K), while it exhibits a downtrend at each IDPKA as the T elevates. The magnitude of E PKA can affect the anisotropy of IDPKA on irradiation damage. Unrelated to E PKA, IDPKA, and T, di‐interstitial clusters and N vacancy > 3 clusters respectively account for the largest proportion of their categories, highlighting their stability. In any case, vacancies are more prone to cluster than interstitials. The increase of E PKA has a greater effect on vacancy clustering than interstitial clustering but can promote the increase in both the clustering fractions. An important insight into the understanding of the irradiation damage behaviors for the alloy has been provided.

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