Modeling the Melting Enthalpy of Nanomaterials

Guisbiers, Grégory; Buchaillot, L.

doi:10.1021/jp809338t

Cited by 71 publications

(64 citation statements)

References 26 publications

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“…6b). The melting enthalpy of Au-Sn ANPs at 186°C (24.64 J/ g) is in agreement with the theoretical calculation presented by Guisbiers and Buchaillot [25] for nanomaterials and is lower than that of the Au-Sn bulk alloy at 30% Au (37.07 J/g). The depression in melting point of ANPs solder can be the result of decrease in size and shape.…”

Section: Resultssupporting

confidence: 90%

Synthesis of Au–Sn alloy nanoparticles for lead-free electronics with unique combination of low and high melting temperatures

Tabatabaei

Kumar

Ardebili

et al. 2012

Microelectronics Reliability

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Section: Resultssupporting

confidence: 90%

Synthesis of Au–Sn alloy nanoparticles for lead-free electronics with unique combination of low and high melting temperatures

Tabatabaei

Kumar

Ardebili

et al. 2012

Microelectronics Reliability

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“…And, we can predict that the melting enthalpy is likely to decrease to zero as the particle size decreases to a certain extent. This downward trend also manifests itself in other substances, such as In, [9,[32][33][34] Sn, [8,9,35] Al, [35] etc. This can be attributed to the higher surface energy for nanoparticles.…”

Section: Size Dependence Of the Melting Enthalpy Of Nano-aumentioning

confidence: 85%

Influence of Size on Melting Thermodynamics of Nanoparticles: Mechanism, Factors, Range, and Degree

Duan

Xue

Cui

et al. 2018

Part & Part Syst Charact

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Particle size plays a crucial role in melting process of nanoparticles, but the mechanism, factors, range, and degree of the size effect are still unclear. Here, the precise equations of the integral melting enthalpy and entropy with radius of nanoparticles are deduced, without any adjustable parameters, and the influencing mechanism and the factors are discussed. Experimentally, the melting of spherical nano‐Au with different radii (0.9–37.4 nm) is taken as a system to research the melting behavior of nanoparticles. Combining the results of theory and experiments, the influencing regularities, range, and degree are discussed. The results indicate that there are significant effects of particle size on the temperature, integral enthalpy, and integral entropy of melting, which decrease with the radius decreasing. These effects can be attributed to specific surface area, surface tension, and its temperature coefficient. When the radius exceeds 10 nm, specific surface area is the decisive factor, there exists the linear relationships of temperature, integral enthalpy, and integral entropy of melting with the reciprocal of radius. However, when the radius is less than 10 nm, the effects of surface tension and its temperature coefficient gradually hold the main position, the linear relations do not exist.

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“…Here R is the ideal gas constant, ∼8.314 J mol −1 K −1 ; h is the atomic diameter, ∼0.256 nm for Cu; and S vib is the vibrational contribution of overall melting entropy of bulk crystals, which is a weak function of d, and could be ignored as a first-order approximation [21], that S vib (d) ≈ S vib (∞) ≈ 7.85 J mol −1 K −1 [23]. Substituting σ sl (d) and S vib (d) into Eq.…”

Section: Appendixmentioning

confidence: 99%

Surface premelting/recrystallization governing the collapse of open-cell nanoporous Cu via thermal annealing

Wang

Zhang

Deng

et al. 2018

Phys. Chem. Chem. Phys.

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We systematically investigate the collapse of a set of open-cell nanoporous Cu (np-Cu) materials with the same porosity and shape but different specific surface areas, during thermal annealing, by performing large-scale molecular dynamics simulations. Two mechanisms govern the collapse of np-Cu. One is direct surface premelting, facilitating the collapse of np-Cu, when the specific surface area is less than a critical value (∼2.38 nm-1). The other is recrystallization followed by surface premelting, accelerating the sloughing of ligaments and the annihilation of voids, when the critical specific surface area is exceeded. Surface premelting results from surface reconstruction by prompting localized "disordering" and "chaos" on the surface, and the melting temperature reduces linearly with the increase of the specific surface area. Recrystallization is followed by surface premelting as the melting temperature is below the supercooling point, where a liquid is unstable and instantaneously recrystallizes.

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Modeling the Melting Enthalpy of Nanomaterials

Cited by 71 publications

References 26 publications

Synthesis of Au–Sn alloy nanoparticles for lead-free electronics with unique combination of low and high melting temperatures

Synthesis of Au–Sn alloy nanoparticles for lead-free electronics with unique combination of low and high melting temperatures

Influence of Size on Melting Thermodynamics of Nanoparticles: Mechanism, Factors, Range, and Degree

Surface premelting/recrystallization governing the collapse of open-cell nanoporous Cu via thermal annealing

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