Melting of al surfaces

Gon, A. W. Denier van der; Smith, Richard J.; O’Connor, D.J.; Veen, J. F. van der

doi:10.1016/0039-6028(90)90402-t

Cited by 165 publications

(78 citation statements)

References 29 publications

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“…They include surface premelting and melting below the thermodynamic melting temperature θ e , caused by reduction in surface energy and leading to appearance of a molten, nanometer-thick layer 1,2 ; reduction in melting temperature θ m with reduction of the particle radius R down to nanoscale 3,4 ; melting of particles with radii comparable to and smaller than the equilibrium solid-liquid interface width δ e , which is a few nm 3,5 ; and overheating above θ e during very fast heating 6,7 . All of these phenomena allow one to determine the properties of solid and liquid deeply in the region of their metastability and even complete instability (that is, above the solid instability temperature θ i or below the melt instability temperature θ c , see Supplementary Fig.…”

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confidence: 99%

Size and mechanics effects in surface-induced melting of nanoparticles

2011

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Various melting-related phenomena (like surface melting, size dependence of melting temperature, melting of few nm-size particles and overheating at a very fast heating rate) are of great fundamental and applied interest, although the corresponding theory is still lacking. Here we develop an advanced phase-field theory of melting coupled to mechanics, which resolves numerous existing contradictions and allowed us to reveal exciting features of melting problems. The necessity of introducing an unexpected concept, namely, coherent solid-melt interface with uniaxial transformation strain, is demonstrated. A crossover in temperature dependence of interface energy for radii below 20 nm is found. surface-induced premelting and barrierless melt nucleation for nanoparticles down to 1 nm radius is studied, and the importance of advanced mechanics is demonstrated. our model describes well experimental data on the width of the molten layer versus temperature for the Al plane surface and on melting temperature versus particle radius.

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confidence: 99%

Size and mechanics effects in surface-induced melting of nanoparticles

2011

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“…More remarkably, some other solid surfaces remain dry and fully crystalline up to the bulk triple point. This surface non-melting phenomenon, originally discovered in molecular dynamics simulations of Au(111) [6] and independently observed experimentally in Pb(111) [7], takes place at the close-packed faces of several metals, such as Al(111) [8].…”

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confidence: 99%

Physics of solid and liquid alkali halide surfaces near the melting point

Zykova-Timan

Ceresoli

Tartaglino

et al. 2005

The Journal of Chemical Physics

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This paper presents a broad theoretical and simulation study of the high temperature behavior of crystalline alkali halide surfaces typified by NaCl(100), of the liquid NaCl surface near freezing, and of the very unusual partial wetting of the solid surface by the melt. Simulations are conducted using two-body rigid ion BMHFT potentials, with full treatment of long-range Coulomb forces. After a preliminary check of the description of bulk NaCl provided by these potentials, which seems generally good even at the melting point, we carry out a new investigation of solid and liquid surfaces. Solid NaCl(100) is found in this model to be very anharmonic and yet exceptionally stable when hot. It is predicted by a thermodynamic integration calculation of the surface free energy that NaCl(100) should be a well ordered, non-melting surface, metastable even well above the melting point. By contrast, the simulated liquid NaCl surface is found to exhibit large thermal fluctuations and no layering order. In spite of that, it is shown to possess a relatively large surface free energy. The latter is traced to a surface entropy deficit, reflecting some kind of surface short range order. Finally, the solid-liquid interface free energy is derived through Young's equation from direct simulation of partial wetting of NaCl(100) by a liquid droplet. It is concluded that three elements, namely the exceptional anharmonic stability of the solid (100) surface, the molecular short range order at the liquid surface, and the costly solid liquid interface, all conspire to cause the anomalously poor wetting of the (100) surface by its own melt in the BMHFT model of NaCl -and most likely also in real alkali halide surfaces.

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“…below T c a liquid layer on the surface is frequently observed [11], the thickness of which diverges logarithmically as T → T c . However, for particularly low-energy metal surfaces with ∆γ < 0 (such as Pb (111) [12], Al (111) [13] and (100) [14], and Au (111) [15]) surface melting is not seen, and often the surface can be heated above T c [16]. Such surfaces are called non-melting (NM).…”

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Superheating and Solid-Liquid Phase Coexistence in Nanoparticles with Nonmelting Surfaces

Schebarchov

Hendy

2006

Phys. Rev. Lett.

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We present a phenomenological model of melting in nanoparticles with facets that are only partially wet by their liquid phase. We show that in this model, as the solid nanoparticle seeks to avoid coexistence with the liquid, the microcanonical melting temperature can exceed the bulk melting point, and that the onset of coexistence is a first-order transition. We show that these results are consistent with molecular dynamics simulations of aluminum nanoparticles which remain solid above the bulk melting temperature.

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Melting of al surfaces

Cited by 165 publications

References 29 publications

Size and mechanics effects in surface-induced melting of nanoparticles

Size and mechanics effects in surface-induced melting of nanoparticles

Physics of solid and liquid alkali halide surfaces near the melting point

Superheating and Solid-Liquid Phase Coexistence in Nanoparticles with Nonmelting Surfaces

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