Volume and pressure of helium bubbles inside liquid Pb16Li. A molecular dynamics study

Fraile, Alberto; Polcar, Tomáš

doi:10.1088/1741-4326/ab73c2

Cited by 10 publications

(4 citation statements)

References 64 publications

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“…However, in the case of the large pressures and temperatures that may be of interest in fusion technology, the similarity between TTS and LJ is no longer true, arising possible inaccuracies in the determination of the super-saturation threshold, where a simulation involving 40 He and 1000 Li atoms using LJ models would require a pressure of 10 6 bar [16]. While other authors considered also a LJ model for He-He and Li-He interactions [18], here we rely on the TTS potential because of its more accurate quantum nature and its reliability at low distances. To briefly enlight the better suitability of TTS Accepted to J. Chem.…”

Section: Pairwise Interaction Potentialsmentioning

confidence: 99%

“…Other authors like Fraile et al [18] have faced the problem of the nucleation of He in Pb-Li alloys using an EAM for both Pb and Li interactions. However, where these authors used LJ potentials obtained using Lorentz-Berthelot mixing rules for those terms that involve He atoms, in this work we rely on TTS models, since the latter have softer and more realistic repulsive regions and are expected to be more capable to reproduce properties like solubility [15].…”

Section: Introductionmentioning

confidence: 99%

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Nucleation of helium in pure liquid lithium

Edgar

Martı́

Mazzanti

et al. 2023

The Journal of Chemical Physics

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Tritium self-sufficiency in fusion nuclear reactors will be based on the neutron capture by lithium in the so-called breeding blankets of the reactor, a nuclear reaction that will produce helium along with tritium. The low solubility of helium in liquid metals could cause the eventual formation of helium bubbles, which may have a negative impact on the performance of the breeding blanket in a way that has yet to be fully understood. In this work, we provide deep insight into the behavior of lithium and helium mixtures at experimentally operating conditions (800 K and pressures between 1 and 100 bars) using a microscopic model suitable to describe the interactions between helium and lithium at the atomic level, in excellent agreement with available experimental data. The simulations predict the formation of helium bubbles with radii around 10 Å at ambient pressure with surface tension values in the range of 0.6–1.0 N/m. We also report the cohesive energies of helium and the work of formation of the cluster of atoms, as well as a quantitative estimation of the Hildebrand and Kumar cohesion parameters. Our results indicate that the segregation between He and Li atoms is strong, and once a bubble is formed, it never dissociates.

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Section: Pairwise Interaction Potentialsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Nucleation of helium in pure liquid lithium

Edgar

Martı́

Mazzanti

et al. 2023

The Journal of Chemical Physics

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“…The amount of He bubbles generated in different DEMO-like blanket designs is estimated to be about 10–40 mL/h, which can accumulate in the system. Studies such as [ 64 ] provide valuable data for the design of liquid metal-based BB and further fundamental understanding of the inherent complexity of bubble behaviour inside liquid metals.…”

Section: Structural Materialsmentioning

confidence: 99%

Materials to Be Used in Future Magnetic Confinement Fusion Reactors: A Review

Alba¹,

Rodríguez²,

Cerdeira³

2022

Materials

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This paper presents the roadmap of the main materials to be used for ITER and DEMO class reactors as well as an overview of the most relevant innovations that have been made in recent years. The main idea in the EUROfusion development program for the FW (first wall) is the use of low-activation materials. Thus far, several candidates have been proposed: RAFM and ODS steels, SiC/SiC ceramic composites and vanadium alloys. In turn, the most relevant diagnostic systems and PFMs (plasma-facing materials) will be described, all accompanied by the corresponding justification for the selection of the materials as well as their main characteristics. Finally, an outlook will be provided on future material development activities to be carried out during the next phase of the conceptual design for DEMO, which is highly dependent on the success of the IFMIF-DONES facility, whose design, operation and objectives are also described in this paper.

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“…MD simulation stands as the most effective approach to comprehending bubble collapse mechanisms. This study adopts the all-atom force field 27 for calculation, employing the SPC/E water molecule model. 28 Models featuring oxygen-containing and vacuum bubbles with varying radii and quantities are established.…”

Section: ■ Introductionmentioning

confidence: 99%

Effect of Shock-Wave-Mediated Collapse on Nanobubble Characteristics

Xu,

Zhao,

Wang

et al. 2023

Langmuir

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To enhance the comprehension of the cavitation mechanism and explore its practical use in industrial production, this study developed models involving oxygen, varying bubble radii, and bubble quantities. This study uses molecular dynamics simulations coupled with the momentum mirror method to examine the collapse characteristics of bubbles during ultrasonic cavitation. The investigation uncovers patterns in the fluctuation of the maximum local density of water molecules, released pressure, and temperature. The findings demonstrate that, when oxygen-containing bubbles collapse at identical radii, the local density is notably higher and diminishes more rapidly. Moreover, the changes in the shape exhibit greater regularity. During the bubble collapse, a depression forms on the bubble's surface, coinciding with a notable surge in local density around the depression. As bubble radii and quantities increase, so does the local density along with a concurrent rise in the maximum pressure. Intriguingly, the model demonstrates the lowest pressure at Z = 35 Å accompanied by the emergence of a small crescent-shaped region with a reduced density. Throughout the pressure ascension phase, the rate of the maximum pressure change escalates with an increase in the number of bubbles. Conversely, during the pressure descent phase, the rate of the maximum pressure change diminishes with a growing number of bubbles. However, it is important to note that the maximum pressure does not exhibit a direct correlation with the number of bubbles. Ultimately, this study provides valuable technical guidance and a theoretical foundation for the integration of ultrasonic cavitation in industrial production processes.

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Volume and pressure of helium bubbles inside liquid Pb16Li. A molecular dynamics study

Cited by 10 publications

References 64 publications

Nucleation of helium in pure liquid lithium

Nucleation of helium in pure liquid lithium

Materials to Be Used in Future Magnetic Confinement Fusion Reactors: A Review

Effect of Shock-Wave-Mediated Collapse on Nanobubble Characteristics

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