Surface effect on the coalescence of Pt clusters: A molecular dynamics study

Kayhani, K.; Mirabbaszadeh, Kavoos; Nayebi, Payman; Mohandesi, Ali

doi:10.1016/j.apsusc.2010.05.010

Cited by 10 publications

(6 citation statements)

References 20 publications

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“…e coalescence process of nanoparticles is always accompanied by structure translation. Also, some scholars defined the coalescence as a temperature that the rod-like structure is formed [22,30]. In fact, the coalescence of two particles just likes the metallurgical bonding process because a low-interfacial free energy interface will be formed between two nanoparticles.…”

Section: Resultsmentioning

confidence: 99%

Molecular Dynamics Simulation of the Coalescence and Melting Process of Cu and Ag Nanoparticles

Guo

Zhang

Zhu

et al. 2021

Advances in Condensed Matter Physics

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The coalescence and melting process of different sizes and arrangements of Ag and Cu nanoparticles is studied through the molecular dynamics (MD) method. The results show that the twin boundary or stacking fault formation and atomic diffusion of the nanoparticles play an important role in the different stages of the heating process. At the beginning of the simulation, Cu and Ag nanoparticles will contact to each other in a very short time. As the temperature goes up, Cu and Ag nanoparticles may generate stacking fault or twin boundary to stabilize the interface structure. When the temperature reaches a critical value, the atoms gain a strong ability to diffuse and eventually melt into one liquid sphere. The coalescence point and melting temperature increase as cluster diameter increases. Moreover, the arrangement of Cu and Ag nanoparticles has a certain effect on the stability of the initial joint interface, which will affect subsequent coalescence and melting behavior.

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Section: Resultsmentioning

confidence: 99%

Molecular Dynamics Simulation of the Coalescence and Melting Process of Cu and Ag Nanoparticles

Guo

Zhang

Zhu

et al. 2021

Advances in Condensed Matter Physics

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“…Examples include Pt-carbon for, e.g., fuel cells [28,[63][64][65][66][67], metal-carbon for plasma catalysis [68][69][70] and nanotube growth [71][72][73][74]. Pt interactions with Al 2 O 3 and SiO 2 have also been studied, although to a lesser extent [75,76], as well as Pd on MgO and Al 2 O 3 [77,78].…”

Section: Molecular Dynamics Simulations For Magnetron Sputteringmentioning

confidence: 98%

“…Most studies, including most of the works cited above [28,[63][64][65][66][67][68][69][70][71][72][73][74][75][76][77][78], either focus on the reactivity of such clusters or on the structure of the clusters, as a function of the substrate structure and its temperature, and not on the actual deposition or growth process. Nevertheless, the studies available so far allows us to identify a number of trends, and demonstrate the usefulness of conducting MD simulations of nanocatalyst growth in the context of physical magnetron sputtering.…”

Section: Simulations Of Catalyst Nanoparticle Growth By Sputteringmentioning

confidence: 98%

Molecular dynamics simulations of supported metal nanocatalyst formation by plasma sputtering

Brault

Neyts

2015

Catalysis Today

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a b s t r a c tMagnetron sputtering is a widely used physical vapor deposition technique for deposition and formation of nanocatalyst thin films and clusters. Nevertheless, so far only few studies investigated this formation process at the fundamental level. We here review atomic scale molecular dynamics simulations aimed at elucidating the nanocatalyst growth process through magnetron sputtering. We first introduce the basic magnetron sputtering background and machinery of molecular dynamics simulations, and then describe the studies conducted in this field so far. We also present a perspective view on how the field may be developed further.

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“…Surface-diffusion-mediated decay of two-dimensional nanostructures has recently been studied by a combined analytical and kinetic Monte Carlo approach, whereas Kayhani et al performed molecular dynamics (MD) simulations to examine the coalescence of platinum nanoclusters . Concerning simulation work on the surface mobility of molecular glass formers, Hoang et al performed MD studies on freestanding monatomic glass-forming liquids .…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulation of the Capillary Leveling of a Glass-Forming Liquid

2019

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Motivated by recent experimental studies probing i) the existence of a mobile layer at the free surface of glasses, and ii) the capillary leveling of polymer nanofilms, we study the evolution of square-wave patterns at the free surface of a generic glass-forming binary Lennard-Jones mixture over a wide temperature range, by means of molecular dynamics simulations. The pattern's amplitude is monitored and the associated decay rate is extracted. The evolution of the latter as a function of temperature exhibits a crossover between two distinct behaviours, over a temperature range typically bounded by the glass-transition temperature and the mode-coupling critical temperature. Layer-resolved analysis of the film particles' mean-squared displacements further shows that diffusion at the surface is considerably faster than in the bulk, below the glass-transition temperature. The diffusion coefficient of the surface particles is larger than its bulk counterpart by a factor that reaches 10 5 at the lowest temperature studied. This factor decreases upon heating, in agreement with recent experimental studies.

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Surface effect on the coalescence of Pt clusters: A molecular dynamics study

Cited by 10 publications

References 20 publications

Molecular Dynamics Simulation of the Coalescence and Melting Process of Cu and Ag Nanoparticles

Molecular Dynamics Simulation of the Coalescence and Melting Process of Cu and Ag Nanoparticles

Molecular dynamics simulations of supported metal nanocatalyst formation by plasma sputtering

Molecular Dynamics Simulation of the Capillary Leveling of a Glass-Forming Liquid

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