Modelling surface melting of macro-crystals and melting of nano-crystals for the case of perfectly wetting liquids in one-component systems using lead as an example

Vegh, Adam; Kaptay, George

doi:10.1016/j.calphad.2018.08.007

Cited by 14 publications

(10 citation statements)

References 112 publications

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“…(2) core-shell geometry, which are both applied on the Sn(l)-SnO 2 (s) and Sn(l)-Sn 3 O 4 (s) equilibrium. According to the proposed classification scheme [29] the respective configurations represent models of the first and the second generation. Although core-shell model is physically more realistic, simpler two particles model is often used for the thermodynamic modeling of equilibria in oxide systems as well as for evaluation of structural stability of polymorphic oxide nanoparticles.…”

Section: Thermodynamic Modeling Of Nano-sn Oxidationmentioning

confidence: 99%

Thermodynamic Modeling of Oxidation of Tin Nanoparticles

Leitner

Sedmidubský

2018

J. Phase Equilib. Diffus.

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A thorough thermodynamic analysis of oxidation of tin nanoparticles was performed. Solid tin oxides SnO 2 , Sn 3 O 4 and SnO were considered according to the bulk phase diagram and a number of experimental results on tin nanostructures oxidation were taken into account in the assessment. Two equilibrium models with different spatial configuration, namely two single-component particles and core-shell model were explored. The surface energies for solid SnO and Sn 3 O 4 were obtained on the basis of DFT calculations while the interfacial energies at SnO 2 (s)/Sn(l) and Sn 3 O 4 (s)/Sn(l) interfaces were assessed using a broken bond approximation. The opposite influence of nanosizing on stability of SnO 2 and SnO/Sn 3 O 4 oxides is demonstrated. It is due to the surface contribution which is higher for SnO 2 (s) than Sn(l) while lower for SnO(s) and Sn 3 O 4 (s) compared to Sn(l). This situation can explain some experimental findings during oxidation of Sn nanoparticles, namely an increased stability of SnO(s) and Sn 3 O 4 (s) with respect to both liquid tin and solid tin dioxide.Keywords surface energy Á thermodynamic modeling Á tin nanoparticles Á tin oxides This invited article is part of a special issue of the Journal of Phase Equilibria and Diffusion in honor of Prof. Jan Vrestal's 80th birthday. This special issue was organized by Prof.

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Section: Thermodynamic Modeling Of Nano-sn Oxidationmentioning

confidence: 99%

Thermodynamic Modeling of Oxidation of Tin Nanoparticles

Leitner

Sedmidubský

2018

J. Phase Equilib. Diffus.

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“…While complex systems such as ice might show a completely different behavior, [ 100 ] recent studies on homogeneous melting close to the limit of superheating might need to take special care to evaluate the respective contributions due to thermodynamics and kinetics to the observed shift of the transformation temperature. [ 101–104 ]…”

Section: Edges Missing Wedges and Vacancy Cloudsmentioning

confidence: 99%

Structural Phase Transformations in Nanoscale Systems

Wilde

2021

Adv Eng Mater

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As characteristic size scales of materials systems tend to progressively become shorter, size‐dependent materials’ behavior becomes increasingly important. Related to many aspects concerning stability, function, and performance are phase transformations that might be necessary to obtain a specific state or are necessary to avoid to retain a specific phase or state with desired properties. At dimensions in the range of tens nanometers or below, size effects affect structural phase transformations significantly. Opinions and models about the origin of the size‐dependence abound since several decades. However, more recent results allow analyzing the local atomic structure of the particle/matrix interfaces as well as local strain contributions in detail. In addition, size‐dependent measurements of excess thermodynamic potentials can be carried out and rate‐dependent analyses explore new regimes at significantly enhanced heating rates. These recent results serve to estimate the relative importance of kinetic and different thermodynamic contributions. Herein, the emphasis is on summarizing the recent progress that is made on the size effect and on the impact of the interfacial structure on the melting transformation of embedded nanoparticles. At the same time, these results serve to considerably enhance the understanding of the melting process in general.

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“…In recent years, a new approach, the application of nanotechnology has emerged in the practice of joining technology, just as in other fields of applied science and technologies. Reducing the dimensions of the phases below a certain size (\100 nm), their specific surface area is considerably increased, leading to melting point depression (MPD) and increased atomic mobility along internal interfaces (crystallite or phase boundaries) [14][15][16][17][18]. These properties cover the two most important parameters of the joining technology: thermodynamic (temperature) and the kinetic-transport (joining time) parameters.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, characterisation and thermal behaviour of Cu-based nano-multilayer

et al. 2020

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Cu/AlN–Al2O3 nano-multilayer (NML) was deposited by magnetron sputtering method on 42CrMo4 steel samples, starting with a 15 nm AlN–Al2O3 layer and followed by 200 alternating layers of 5 nm thick Cu and 5 nm thick AlN–Al2O3 layers. The microstructure and thermal behaviour of the as-deposited and heat-treated multilayer was studied. Starting from about 400 °C, extensive coarsening of Cu nanocrystallites and the migration of Cu within the multilayer were observed via solid-state diffusion. Part of the initial Cu even formed micron-sized reservoirs within the NML. Due to increased temperature and to the different heat expansion coefficients of Cu and the AlN–Al2O3, the latter cracked and Cu appeared on the top surface of the NML at around 250 °C. Below 900 °C, the transport of Cu to the top surface of the NML probably took place as a solid-state flow, leading to faceted copper micro-crystals. However, above 900 °C, the Cu micro-crystals found on the top of the NML have rounded shape, so they were probably formed by pre-melting of nano-layered Cu due to its high specific surface area in the NML. Even if the Cu crystals appear on the top surface of the NML via solid-state flow without pre-melting, the Cu crystals on the top surface of the NML can be potentially used in joining applications at and above 250 °C.

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Modelling surface melting of macro-crystals and melting of nano-crystals for the case of perfectly wetting liquids in one-component systems using lead as an example

Cited by 14 publications

References 112 publications

Thermodynamic Modeling of Oxidation of Tin Nanoparticles

Thermodynamic Modeling of Oxidation of Tin Nanoparticles

Structural Phase Transformations in Nanoscale Systems

Synthesis, characterisation and thermal behaviour of Cu-based nano-multilayer

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