Applying multi-scale simulations to materials research of nuclear fuels: A review

Wen, Chunyang; Yun, Di; He, Xinfu; Xin, Yong; Li, Wenjie; Sun, Zhirong

doi:10.1016/j.matre.2021.100048

Cited by 3 publications

(3 citation statements)

References 200 publications

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“…Interest especially grew after it was discovered that adding Ti to the ODS FeCr alloy can form Y-Ti-O particles with only a few nanometers [12][13][14][15]. However, the Fukushima accident drew attention to the performance of structural materials in nuclear energy systems under extreme conditions, and led to the design of accident tolerant fuel [16][17][18]. The high-temperature steam corrosion resistance of structural materials was given high priority due to the loss of coolant accident (LOCA).…”

Section: Development History Of Ods Fecral Alloymentioning

confidence: 99%

Recent Progress on Creep Properties of ODS FeCrAl Alloys for Advanced Reactors

Jia

Wang

et al. 2023

Materials

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In order to meet the growing energy demand, more environmentally friendly and efficient GEN-IV reactors have emerged. Additionally, nuclear structural materials need larger more safety margins for accident scenarios as a result of the Fukushima accident. In order to extend the failure time and lessen the effect of accidents, this design method for accident-tolerant fuel materials calls for cladding materials to maintain good corrosion resistance and mechanical properties during a beyond design basis accident (BDBA). Accidents involving nuclear reactors would undoubtedly result in higher temperatures, which would make it much harder for materials to withstand corrosion. Oxide dispersion strengthened (ODS) FeCrAl alloys have shown promise as candidate materials because of their extraordinarily slow reaction rates under high-temperature steam. However, the addition of the Al element renders the alloy’s high-temperature mechanical properties insufficient. In particular, studies on the alloy’s creep properties are extremely rare, despite the fact that the creep properties are crucial in the real service environment. Therefore, this paper focuses on the creep properties of ODS FeCrAl alloy, summarizes and analyzes the research results of this material, and provides a reference for future research and applications.

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Section: Development History Of Ods Fecral Alloymentioning

confidence: 99%

Recent Progress on Creep Properties of ODS FeCrAl Alloys for Advanced Reactors

Jia

Wang

et al. 2023

Materials

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“…Another coupling theory is to combine molecular dynamics (MD) simulation and CFD. The key issue of an MD/CFD method is that the fluid is treated as discrete molecules and continuous fields in MD and CFD, respectively, which may lead to a set of compatibility problems. − For example, Yasuda developed an MD/CFD simulation method, in which the lattice mesh of CFD is associated with a small MD cell. According to a “local flow field” given from CFD, the MD simulation generates a “local stress”, which is in turn the input of CFD.…”

Section: Introductionmentioning

confidence: 99%

Development of a Reaction–Diffusion–Convection Model and Its Application to NO Oxidation in Reactors

Luo,

Liu

2024

Ind. Eng. Chem. Res.

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The multiscale modeling of a reaction-transport process is an important issue in both fundamental and applied studies. We introduced a reaction−diffusion−convection model to deal with the reaction-transport process in chemical engineering by combining the reaction kinetics model, classical density functional theory (CDFT), and computational fluid dynamics (CFD). The reaction kinetic model and CDFT are unified into a differential equation, which is coupled with the CFD equation by a boundary condition. The model is applied to NO oxidation in a reactor. The multiscale model reveals the relationship between the microscopic properties and the macroscopic performance of a catalyst/reactor. We examined the dependence of conversion on adsorption strength, the shape and number of catalyst particles, and flow velocity. The multiscale prediction is consistent with the experiment, and there is a selfinhibition effect in the reaction-transport process. The model gives some insight into the design of reactors and has the potential to be applied to other reaction-transport processes.

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“…Multi-scale modelling exploits the coupling among different codes or models. In the analysis of a nuclear reactor core, where different physics interact, it represents a methodology to investigate the performance under irradiation of the fuel rods, replacing the use of individual systems (with possible conservative assumptions) for separate (but inter-related) domains with coupled calculations [1,2]. The coupling promotes the transfer of information between systems that describe phenomena occurring at different time and length scales [3,4].…”

Section: Introductionmentioning

confidence: 99%