Formation of the core-shell structures from bimetallic Janus-like nanoclusters under low-energy Ar and Ar13 impacts: A molecular dynamics study

Shyrokorad, Dmytro; Kornich, G. V.; Буга, С. Г.

doi:10.1016/j.commatsci.2018.12.002

Cited by 6 publications

(14 citation statements)

References 34 publications

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“…In any case, the final morphology of the nanoparticle can be understood and even predicted by computational methods. Although a thorough description of these methods is beyond the scope of this review, the Monte Carlo method [41,42] along with molecular dynamics [43][44][45] calculations should be referenced, as they play a key role in comprehension of the formation and morphology of heterogeneous nanoparticles.…”

Section: Gas Phase Methods For the Synthesis Of Multi-element Nanoparticlesmentioning

confidence: 99%

Gas Phase Synthesis of Multi-Element Nanoparticles

et al. 2021

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The advantages of gas-phase synthesis of nanoparticles in terms of size control and flexibility in choice of materials is well known. There is increasing interest in synthesizing multi-element nanoparticles in order to optimize their performance in specific applications, and here, the flexibility of material choice is a key advantage. Mixtures of almost any solid materials can be manufactured and in the case of core–shell particles, there is independent control over core size and shell thickness. This review presents different methods of producing multi-element nanoparticles, including the use of multiple targets, alloy targets and in-line deposition methods to coat pre-formed cores. It also discusses the factors that produce alloy, core–shell or Janus morphologies and what is possible or not to synthesize. Some applications of multi-element nanoparticles in medicine will be described.

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Section: Gas Phase Methods For the Synthesis Of Multi-element Nanoparticlesmentioning

confidence: 99%

Gas Phase Synthesis of Multi-Element Nanoparticles

et al. 2021

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“…There are obvious trends in the predominance of Al and Bi atoms in the outer regions, as well as Ni and Cu atoms in the inner regions of the corresponding clusters. Following the results of [40], the output of Al atoms to the Ni-Al cluster surface is masked by its intense preferential sputtering, while in the case of Bi component [34], masking is not effective enough due to a roughly four times lower sputtering yield at the 300 eV Ar 13 case. As result the surface of the Cu-Bi cluster at such impact conditions is obviously enriched with Bi atoms.…”

Section: Boiling/melting State Of the Clustersmentioning

confidence: 69%

“…It is visually even more noticeable than in the Ni-Al cluster. Also, this effect is more pronounced in the Cu-Bi cluster at higher impact energies [34]. Obviously, it is additionally stimulated by the positive heat of mixing of the Cu and Bi components.…”

Section: Boiling/melting State Of the Clustersmentioning

confidence: 92%

“…The classic MD model, which was applied for simulation of the Janus-like binary Cu-Au, Ni-Al, and Cu-Bi clusters under impacts of the Ar 13 and Ar projectiles, was presented earlier in [34,37,38]. The original metastable Janus-like clusters have two mono-component parts, each consisting of 195 atoms, with a small spatial overlap.…”

Section: The Modelmentioning

confidence: 99%

“…The spherical atomic distributions of the mono-component parts in the Cu-Bi cluster after 100 and 500 ps of evolution upon bombardment with Ar 13 ions and the energy of 100 eV from the unpublished results of the previous work [34], based on the same MD model, are presented in Fig. 10 (a).…”

Section: Melting/solid State Of the Clustersmentioning

confidence: 99%

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Fusion Features of Monocomponent Parts in Janus-Like Nanoscale Clusters Under Impacts of Low− and Ultra−Low−Energy Ar13 and Ar Projectiles

Shyrokorad,

Kornich,

Goncharov

et al. 2023

Preprint

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Molecular dynamics simulation of metastable Janus-like Ni-Al, Cu-Bi and Cu-Au clusters with 195 atoms of each component is performed for 200 ps after impacts of Ar13 and Ar ions with different cases of initial energies from 25 to 300 eV. The boiling state of the components is achieved either at a high negative heat of mixing (Al, Ni-Al) or at a low boiling point of at least one of the components (Bi, Cu-Bi), provided that the Ar13 projectiles have the initial energy from 200 eV. In other cases, the Ni-Al cluster is also in a molten state, while the Cu-Bi cluster, as well as the Cu-Au cluster in all impact cases, may be in a molten state or have an atomic structure of varying degrees of regularity of one/both component(s). The molten clusters form spatial core-shell distributions of the components, while in other cases different degrees and forms of their overlapping and eccentricity are possible during the time of simulation.

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