Molecular dynamics study on the coalescence kinetics and mechanical behavior of nanoporous structure formed by thermal sintering of Cu nanoparticles

Yang, Seunghwa; Kim, Wonbae; Cho, Maenghyo

doi:10.1016/j.ijengsci.2017.11.008

Cited by 42 publications

(17 citation statements)

References 49 publications

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“…Recently, it is reported by simulations that the coalescence of NPs can start without the thermal activation [7], and that the NP size and the sintering temperature exhibit significant effects on the densification of the sintered NPs [8]. Lu et al demonstrate that single crystalline gold NWs with diameters between 3 and 10 nm can be cold-welded together within seconds by mechanical contacts alone under low applied pressures [2].…”

Section: Introductionsmentioning

confidence: 99%

Size effect on the spontaneous coalescence of nanowires

Yang²,

Wang³

2019

Nanotechnology

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This paper investigates the size effect on the coalescence process of contacting nanoparticles. It is revealed by molecular dynamics that the nanometer-sized surface curvature coupled with the effective melting temperature exhibits a strong influence on the atom diffusion at the interface, and is therefore critical to the coalescence time. This effect is particularly pronouncing for surface curvatures below 20 nm. A phenomenological model is derived from the melting-point reduction approach to describe the kinetic process of nanowire coalescence and is validated against a variety of simulation datasets. The quantitative correlation between the sample size, the sintering temperature and the contact morphology evolution is demonstrated.1 arXiv:1706.08239v2 [cond-mat.mtrl-sci] 10 Apr 2019 INTRODUCTIONSThe spontaneous coalescence is critical for the self-assembly of nanomaterials. It is known to be strongly correlated with the surface atom diffusion, which manifests when the material size goes down below tens of nanometers. Experiments demonstrated significant surface diffusion taking place even at room temperature at sub-10 nm lengthscale [1]. Similar behaviors were reported by experiments of the cold-welding of gold nanowires (NWs) [2] and NPs [3,4], and of self-assembly of nanoparticle (NP) aggregates [5]. Understanding the sizeeffect on the mass-diffusion process at nanoscale solid interfaces is crucial for developing selfassembly technologies of nanostructures, which hold promise for a wide range of applicationsRecently, it is reported by simulations that the coalescence of NPs can start without the thermal activation [7], and that the NP size and the sintering temperature exhibit significant

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Section: Introductionsmentioning

confidence: 99%

Size effect on the spontaneous coalescence of nanowires

Yang²,

Wang³

2019

Nanotechnology

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“…In the sintering process, no segregation or melting of low-melting-point metals occurs first, so it is widely used in the powder metallurgy industry [28][29][30]. In addition to temperature, powder size is one of the parameters affecting sintering conditions in conventional sintering [31][32][33][34]. To verify whether diameters of the powders will affect the performance of the microstructures, two pre-alloyed powders with different diameters were selected.…”

Section: Resultsmentioning

confidence: 99%

Powder Filling and Sintering of 3D In-chip Solenoid Coils with High Aspect Ratio Structure

Huang

Sun

et al. 2020

Micromachines

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In this study, a 3D coil embedded in a silicon substrate including densely distributed through-silicon vias (TSVs) was fabricated via a rapid metal powder sintering process. The filling and sintering methods for microdevices were evaluated, and the effects of powder types were compared. The parameters influencing the properties and processing speed were analyzed. The results showed that the pre-alloyed powder exhibited the best uniformity and stability when the experiment used two or more types of powders to avoid the segregation effect. The smaller the particle diameter, the better the inductive performance will be. The entire structure can be sintered near the melting point of the alloy, and increasing the temperature increases strength, while resulting in low resistivity. Finally, an 800-µm-high coil was fabricated. This process does not need surface metallization and seed layer formation. The forming process involves only sintering instead of slowly growing copper with a tiny current. Therefore, this process has advantages, such as a process time of 7 h, corresponding to an 84% reduction compared to current electroplating processes (45 h), and a 543% efficiency improvement. Thus, this process is more efficient, controllable, stable, and suitable for mass production of devices with flexible dimensions.

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“…15 In relation with T mn depression, the coalescence and densification of two or more spherical Cu particles have also been studied by means of MD simulation. [18][19][20] While most of these simulations consider an ideal crystallite, in practice Cu nanoparticles suffer from the presence of defects, contamination, surfactants/capping, or partial oxidation. 21,22 Among these, the surface oxide has been widely studied experimentally, as Cu nanoparticles can be easily oxidized, e.g.…”

Section: Introductionmentioning

confidence: 99%

Distinct melting behaviour of partially oxidized Cu nanoparticles and nanowires

Kateb¹,

Manolescu²

2023

Preprint

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While most of the experimental studies are dealing with partially oxidized metallic nanosolids, their behaviour is not well understood theoretically. To this end we utilized molecular dynamics simulation and charge-optimized many-body potential to probe melting of Cu nanoparticles and nanowires with and without a monolayer of Cu 2 O as a shell. It is shown that partially oxidized nanosolids present a different melting behaviour than the widely accepted picture of melting, and especially different than surface melting. (i) For both types of nanosolids we observed inward diffusion of ∼40% of atomic oxygen into the metallic core at room temperature. (ii) For the nanowire with oxide shell we observed a solid state phase transition in the Cu core that is not present for the case without the oxide. (iii) Prior to melting, the oxide shell shrinks, and this process continues after melting, to form a particulate oxide, for both types of nanosolids.

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Molecular dynamics study on the coalescence kinetics and mechanical behavior of nanoporous structure formed by thermal sintering of Cu nanoparticles

Cited by 42 publications

References 49 publications

Size effect on the spontaneous coalescence of nanowires

Size effect on the spontaneous coalescence of nanowires

Powder Filling and Sintering of 3D In-chip Solenoid Coils with High Aspect Ratio Structure

Distinct melting behaviour of partially oxidized Cu nanoparticles and nanowires

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