The wetting properties of Li droplet on Cu surfaces: A molecular dynamics study

Chen, Xin; Sun, Xuegui; Deng, Hui; Xiao, Shifang; Gan, Xianglai; Li, Xiaofan; Hu, Wangyu

doi:10.1016/j.commatsci.2016.03.045

Cited by 24 publications

(8 citation statements)

References 39 publications

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“…The droplets are wetted on the preforming precursor film, weakening the influence of the substrate on the droplet wetting. Nevertheless, the rapid precursor film does not necessarily make the radius increase faster, 19 because the rapid diffusion of the precursor film will also reduce the droplet volume.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…Swiler et al 17 studied Cu droplet wetting on a silver (Ag) substrate. It noted that the contact angle only mildly changed with the temperature rising from 1400 to 2000 K. Conversely, studies 19,21 found that an increased temperature significantly reduces the contact angle of spreading droplets. Webb et al 22 studied the wetting of the Cu substrate by Ag droplets in a eutectic system, noting that a high surface temperature reduced the time required for equilibrium.…”

Section: ■ Introductionmentioning

confidence: 99%

“…The surface wettability of Cu(100) without the precursor film is worse than that of Cu(111), which has a large contact angle. The wetting dynamics of lithium (Li) droplets on a Cu surface was studied, 19 noting that all Cu(100), Cu(111), and Cu(110) crystal planes formed a precursor film with a single Pb atom layer, with circular shapes for the former two and an elliptical shape for the last plane. The drop and precursor film on the Cu(110) plane showed anisotropy, spreading faster along the crystal direction.…”

Section: ■ Introductionmentioning

confidence: 99%

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High-Temperature Wetting and Dewetting Dynamics of Silver Droplets on Molybdenum Surfaces

Lin

Wang

et al. 2023

Langmuir

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The wetting and dewetting behaviors of Ag droplets on Mo(100), Mo(110), and Mo(111) surfaces were investigated over 1200−2000 K via molecular dynamics simulations. We used the diffusion energy barriers of Ag droplets on the three surfaces to analyze the phenomenon of different precursor films and adsorption layers on the different surfaces. Alloying enabled the Mo(111) surface better wettability in both Mo(110) and Mo(111) surfaces, where there were significant precursor films. We observed that the dewetting rate was the fastest on the surface with the densest adsorption layer. Simulations proved that the same molecular kinetic theory model was applicable to not only the wetting process but also the dewetting process on the same surface. We also provided evidence to support the fact that an increased temperature could reduce the time to reach equilibrium for the wetting and dewetting processes.

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Section: ■ Results and Discussionmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

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High-Temperature Wetting and Dewetting Dynamics of Silver Droplets on Molybdenum Surfaces

Lin

Wang

et al. 2023

Langmuir

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“…The wetting behavior of Cu droplets on W (100), (110), and (111) surfaces was explored by Lv et al [15], and the diffusion of Cu droplets on W (100) surfaces displayed anisotropy because of various surface structures. Chen et al [16] simulated the wetting behavior of Li droplets on Cu surfaces and found that Li droplets only spontaneously diffused on the Cu (100), and (111) surfaces, while Li droplets infiltrated the substrate and underwent atomic exchange on the (110) surface. Zhang et al [17] discovered that the Fe atom arrangement influences the dispersion of Zn droplets on the Fe (100), (110), and (111) surfaces, with Zn droplets having the greatest wettability on the Fe (111) surface due to the variation in the microscopic roughness of the surface atoms.…”

Section: Introductionmentioning

confidence: 99%

The effect of crystallographic orientation of α-Al₂O₃ on the wetting behavior and adhesion characteristics of aluminum droplets

Zhuo,

Rui,

Lyu

et al. 2024

J. Phys.: Condens. Matter

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To solve the problem of adhesion of aluminum fluid to the inner wall of the vacuum ladle in the aluminum electrolysis industry, molecular dynamics simulation is performed to research the wetting behavior of Al droplets on the surfaces of the α-Al2O3 substrates C (0001), M (1-100), and R (1-102) at 1073 K. Meanwhile, the adhesion characteristics of the Al droplet are evaluated by the potential of the mean force (PMF) for the separation of the Al droplets from different surfaces of the α-Al2O3 substrate. The results show that the wetting behavior of Al droplets on the α-Al2O3 substrate is influenced by the different crystallographic orientations. The diffusion of Al droplets in the x-o-y plane of the substrate exhibits isotropic. The PMF and the interfacial potential energy reveal that the magnitude of the adhesion work in the solid-liquid separation of Al droplets from α-Al2O3 substrates follows the order C (0001) > R (1-100) > M (1-102). These findings characterize the wetting properties and adhesion behavior of Al droplets on an atomic scale and provide a theoretical basis for the selection of materials for the inner wall of the vacuum ladle.

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“…Influencing both the forces at the molecular scale, solid–liquid interactions play a crucial role in spreading dynamics. ,,− Therefore, it is vitally important to investigate the effects of solid–liquid interactions on the spreading of liquid on the solid surface. However, even though the spreading of liquid droplets on solid substrates has been extensively studied, − ,,− a fundamental understanding of how the solid–liquid interactions control the substrate hydrophilicity and the spreading phenomena is still lacking.…”

Section: Introductionmentioning

confidence: 99%

Effect of Solid–Liquid Interactions on Substrate Wettability and Dynamic Spreading of Nanodroplets: A Molecular Dynamics Study

Hubao

Yang

et al. 2020

J. Phys. Chem. C

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Solid−liquid interaction plays a key role in substrate wettability and spreading dynamics of liquid droplets. Yet, how the solid−liquid interaction controls wettability and the spreading process is still not fully understood. Here, we employ molecular dynamics simulations to study water nanodroplet spreading on a flat substrate under a wide range of solid−liquid interaction strengths by varying the collision diameter and depth of the potential well in 12-6 Leonard-Jones potentials between water molecules and substrate atoms. We find that the substrate transitions from hydrophobic to hydrophilic with increasing solid−liquid interaction strength. We show that the cosine of the equilibrium contact angle increases linearly with the interaction strength below a critical value, beyond which the liquid spreads completely with a precursor film (PF) and a spreading radius (including both the bulk liquid and the PF) growing roughly as R ∼ t 1/3.5 . We also observe that an overlarge solid−liquid interaction strength hinders the growth of spreading radius R after obvious PFs with a thickness of one or two water molecules form on the substrate. We demonstrate that spreading phenomena are associated with the landscape of potential fields controlled by the solid−liquid interaction parameters. These new findings provide an improved understanding of spreading processes at the molecular scale.

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The wetting properties of Li droplet on Cu surfaces: A molecular dynamics study

Cited by 24 publications

References 39 publications

High-Temperature Wetting and Dewetting Dynamics of Silver Droplets on Molybdenum Surfaces

High-Temperature Wetting and Dewetting Dynamics of Silver Droplets on Molybdenum Surfaces

The effect of crystallographic orientation of α-Al₂O₃ on the wetting behavior and adhesion characteristics of aluminum droplets

Effect of Solid–Liquid Interactions on Substrate Wettability and Dynamic Spreading of Nanodroplets: A Molecular Dynamics Study

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The wetting properties of Li droplet on Cu surfaces: A molecular dynamics study

Cited by 24 publications

References 39 publications

High-Temperature Wetting and Dewetting Dynamics of Silver Droplets on Molybdenum Surfaces

High-Temperature Wetting and Dewetting Dynamics of Silver Droplets on Molybdenum Surfaces

The effect of crystallographic orientation of α-Al2O3 on the wetting behavior and adhesion characteristics of aluminum droplets

Effect of Solid–Liquid Interactions on Substrate Wettability and Dynamic Spreading of Nanodroplets: A Molecular Dynamics Study

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The effect of crystallographic orientation of α-Al₂O₃ on the wetting behavior and adhesion characteristics of aluminum droplets