Structure of silver clusters with magic numbers of atoms by data of molecular dynamics

Кузьмин, В. С.; Tytik, D. L.; Belashchenko, D. K.; Sirenko, A. N.

doi:10.1134/s1061933x08030058

Cited by 27 publications

(36 citation statements)

References 19 publications

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“…The formation of superclusters having a weaker effective energy barrier than that of crystals precedes the formation of crystallized nuclei in an undercooled melt [5,29]. A spherical surface containing n atoms being minimized, a supercluster having a radius smaller than the critical radius cannot be easily transformed into a non-spherical crystal of n atoms because the surface energy would increase.…”

Section: Gibbs Free Energy Change Associated With Growth Nucleus Formmentioning

confidence: 99%

“…For T > T m /3 = 411.33 K, the energy saving coefficient ε ls in Equation (18) Figure 13. The critical atom number in blue versus the critical radius and R MD the radius calculated by molecular dynamics simulations in red square [5].…”

Section: Silver Supercluster Formation Into and Out Of Undercooled LImentioning

confidence: 99%

“…Silver superclusters containing the magic atom numbers n = 13, 55, 147, 309, 561 are more stable. Their formation temperature out of melt and their radius have been determined [5]. Icosahedral gold nanoclusters do not premelt below their bulk melting temperature [6].…”

Section: Introductionmentioning

confidence: 99%

“…Such entities are homogeneously formed in glass-forming melts, and act as growth nuclei of crystals above the glass transition [4]. The formation of icosahedral nanoclusters has often been studied by molecular dynamics simulations into or out of liquids [5][6][7][8]. Silver superclusters containing the magic atom numbers n = 13, 55, 147, 309, 561 are more stable.…”

Section: Introductionmentioning

confidence: 99%

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Crystallization of Supercooled Liquid Elements Induced by Superclusters Containing Magic Atom Numbers

Tournier

2014

Metals

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A few experiments have detected icosahedral superclusters in undercooled liquids. These superclusters survive above the crystal melting temperature T m because all their surface atoms have the same fusion heat as their core atoms, and are melted by liquid homogeneous and heterogeneous nucleation in their core, depending on superheating time and temperature. They act as heterogeneous growth nuclei of crystallized phase at a temperature T c of the undercooled melt. They contribute to the critical barrier reduction, which becomes smaller than that of crystals containing the same atom number n. After strong superheating, the undercooling rate is still limited because the nucleation of 13-atom superclusters always reduces this barrier, and increases T c above a homogeneous nucleation temperature equal to T m /3 in liquid elements. After weak superheating, the most stable superclusters containing n = 13, 55, 147, 309 and 561 atoms survive or melt and determine T c during undercooling, depending on n and sample volume. The experimental nucleation temperatures T c of 32 liquid elements and the supercluster melting temperatures are predicted with sample volumes varying by 18 orders of magnitude. The classical Gibbs free energy change is used, adding an enthalpy saving related to the Laplace pressure change associated with supercluster formation, which is quantified for n = 13 and 55.

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Section: Gibbs Free Energy Change Associated With Growth Nucleus Formmentioning

confidence: 99%

Section: Silver Supercluster Formation Into and Out Of Undercooled LImentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Crystallization of Supercooled Liquid Elements Induced by Superclusters Containing Magic Atom Numbers

Tournier

2014

Metals

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“…These properties are analogous to that of liquid droplets coated by solid layers that are known to survive above Tm [48,49]. The crystal stability could be enhanced by an interface thickness of several atom layers [50] or these entities could be super-clusters which could contain magic numbers of atoms [51,52]. They could melt by liquid homogeneous nucleation instead of surface melting.…”

Section: Intrinsic Nuclei Surviving Above the Melting Temperaturementioning

confidence: 93%

Magnetic Texturing of High-Tc Superconductors

Porcar¹,

Rango²,

Bourgault³

et al. 2012

Superconductors - Materials, Properties and Applications

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First-order transitions in glasses and melts induced by solid superclusters nucleated and melted by homogeneous nucleation instead of surface melting

Tournier¹

2019

Chemical Physics

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Graphical abstract:Abstract: Supercooled liquids give rise, by homogeneous nucleation, to solid superclusters acting as building blocks of glass, ultrastable glass, and glacial glass phases before being crystallized. Liquid-to-liquid phase transitions begin to be observed above the melting temperature Tm as well as critical undercooling depending on critical overheating T/Tm. Solid nuclei exist above Tm and melt by homogeneous nucleation of liquid instead of surface melting. The Gibbs free energy change predicted by the classical nucleation equation is completed by an additional enthalpy which stabilize these solid entities during undercooling. A two-liquid model, using this renewed equation, predicts the new homogeneous nucleation temperatures inducing first-order transitions, and the enthalpy and entropy of new liquid and glass phases. These calculations are successfully applied to ethylbenzene, triphenyl phosphite, d-mannitol, n-butanol, Zr41.2Ti13.8Cu12.5Ni10Be22.5, Ti34Zr11Cu47Ni8, and Co81.5B18.5. A critical supercooling and overheating rate T/Tm = 0.198 of liquid elements is predicted in agreement with experiments on Sn droplets.

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Structure of silver clusters with magic numbers of atoms by data of molecular dynamics

Cited by 27 publications

References 19 publications

Crystallization of Supercooled Liquid Elements Induced by Superclusters Containing Magic Atom Numbers

Crystallization of Supercooled Liquid Elements Induced by Superclusters Containing Magic Atom Numbers

Magnetic Texturing of High-Tc Superconductors

First-order transitions in glasses and melts induced by solid superclusters nucleated and melted by homogeneous nucleation instead of surface melting

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