Calculation of the surface tension of pure tin from atomistic simulations of liquid–vapour systems

Bourasseau, Émeric; Filippini, G.; Ghoufi, Aziz; Malfreyt, Patrice

doi:10.1080/00268976.2014.901661

Cited by 11 publications

(2 citation statements)

References 27 publications

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“…The application of a MEAM potential reported by Ravelo [3] for pure Sn revealed a qualitative agreement with the inviscid solution. A good agreement with the experimental surface tension was reported in the literature for the potential [4]. A four times longer void collapse time was observed in the MD simulations at T = 500 K, which can be associated with partial melting and a higher mechanical stability than that assumed in the RP model.…”

Section: Discussionsupporting

confidence: 89%

Modelling of Void Collapse with Molecular Dynamics in Pure Sn

Siroky

Kraker

Kieslinger³

et al. 2020

4th International Conference nanoFIS 2020 - Functional Integrated nanoSystems

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This work simulates the collapse of a spherical void in pure Sn during melting using molecular dynamics (MD). Simulations were performed for two temperatures with a modified embedded atom method (MEAM) potential, which was reported to be in good agreement with respect to melting point and elastic constants. Solutions of the Rayleigh–Plesset (RP) equation are used for comparison under the assumption of macroscopic surface tension and liquid viscosity. Despite a qualitative correlation, longer collapse times were observed in MD simulations, which arose from partial solid structures and the incubation time for melting.

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Section: Discussionsupporting

confidence: 89%

Modelling of Void Collapse with Molecular Dynamics in Pure Sn

Siroky

Kraker

Kieslinger³

et al. 2020

4th International Conference nanoFIS 2020 - Functional Integrated nanoSystems

View full text Add to dashboard Cite

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“…5,6 To do so, we used potentials based on the Embedded Atoms Model (EAM). 7,8 We have shown that those force fields are well suited to simulate liquid metallic sheets and to produce accurate surface tensions.…”

Section: Introductionmentioning

confidence: 99%

Communication: Slab thickness dependence of the surface tension: Toward a criterion of liquid sheets stability

Filippini

Bourasseau

Ghoufi

et al. 2014

The Journal of Chemical Physics

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Microscopic Monte Carlo simulations of liquid sheets of copper and tin have been performed in order to study the dependence of the surface tension on the thickness of the sheet. It results that the surface tension is constant with the thickness as long as the sheet remains in one piece. When the sheet is getting thinner, holes start to appear, and the calculated surface tension rapidly decreases with thickness until the sheet becomes totally unstable and forms a cylinder. We assume here that this decrease is not due to a confinement effect as proposed by Werth et al. [Physica A 392, 2359[Physica A 392, (2013] on Lennard-Jones systems, but to the appearance of holes that reduces the energy cost of the surface modification. We also show in this work that a link can be established between the stability of the sheet and the local fluctuations of the surface position, which directly depends on the value of the surface tension. Finally, we complete this study by investigating systems interacting through different forms of Lennard-Jones potentials to check if similar conclusions can be drawn.

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