Computational Modeling of Nanoparticle Coalescence

Grammatikopoulos, Panagiotis; Sowwan, Mukhles; Kioseoglou, Joseph

doi:10.1002/adts.201900013

Cited by 72 publications

(60 citation statements)

References 157 publications

(538 reference statements)

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“…The self‐annealing behavior may arise from collision and subsequent coalescence of the nanoparticles. [ 55,56 ] As reported previously, the velocity of the solutal Marangoni convective flow is in the meter per second scale. [ 54 ] The high‐speed flow drives nanoparticles to circulate rapidly in the suspension.…”

Section: Figurementioning

confidence: 71%

“…When the nanoparticles approach and assemble in the pattern areas, collision of the nanoparticles with the substrate as well as with the sidewall of the pattern occurs. Nanoparticles typically have a significant amount of surface atoms with a high surface energy and a large number of unsaturated dangling bonds, [ 55,57 ] which, upon collision, tend to coalesce with each other as well as with the substrate and the sidewall of the pattern driven by the forces of surface energy minimization and chemical bonds formation. [ 58,59 ] During the coalescence process, the decrease of the surface energy combined with the formation of new bonds causes considerable heat release, resulting in an instantaneous increase in particle temperature for hundreds of degrees.…”

Section: Figurementioning

confidence: 99%

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High‐Rate Printing of Micro/Nanoscale Patterns Using Interfacial Convective Assembly

et al. 2020

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Electric-field-directed assembly [31,32] uses electrophoretic and dielectrophoretic forces to direct nanoelements. Although electric-field-directed assembly demonstrates high throughput, high scalability, and high resolution in assembling various nanomaterials, conductive substrates are required to generate electric field, which limits potential applications of printed structures in electronic devices. Fluidicflow-directed assembly such as convective [33][34][35] and capillary [36][37][38] assembly utilizes solvent evaporation-induced convective flow to guide and position nanoelements. Unlike electric-field-directed assembly, fluidic-flow-directed assembly is applicable to all kinds of substrates (both insulating and conductive). However, it takes hours to assemble over centimetersized substrates. Therefore, the scalability and throughput of this assembly process is a major challenge. Photothermally directed assembly uses photothermaleffect-induced Rayleigh-Benard [39] and/or Marangoni [40][41][42] convective flow to direct assembly. Similar to fluidic-flow-directed assembly, photothermally directed assembly suffers from scalability and throughput issues due to its serial processing nature. In addition, photothermally directed assembly has a limited resolution of micro or sub-micro scale. [43,44] Therefore, the development of a broadly applicable, highly scalable, high throughput, and high resolution printing technique is highly desirable.Here, we report a novel fluidic-flow-directed assembly technique, interfacial convective assembly, to rapidly assemble particles in pattern areas on any substrates. In the interfacial convective assembly, a patterned substrate is initially sonicated in isopropyl alcohol (IPA) using a bath type sonicator for a few seconds. With a low surface tension, IPA helps wet as well as remove trapped air in the patterned structures. After sonication, the substrate is removed from the IPA bath, leaving a thin IPA film on the substrate. Afterward, 50 µL aqueous particle suspension is drop casted on the IPA film. The particle suspension immediately mixes with the IPA film, resulting a suspension with ≈20 wt% IPA. Then, a glass slide is covered on the suspension, creating a confined environment with the substrate via a 300 µm thick spacer (Figure 1a). Finally, the setup is placed onto a hot plate with preheated temperatures between 40 and 75 °C. The substrate is heated up, inducing a convective flow. Due to the convective flow, particles are carried toward Printing of electronics has been receiving increasing attention from academia and industry over the recent years. However, commonly used printing techniques have limited resolution of micro-or sub-microscale. Here, a directed-assembly-based printing technique, interfacial convective assembly, is reported, which utilizes a substrate-heating-induced solutal Marangoni convective flow to drive particles toward patterned substrates and then uses van der Waals interactions as well as geometrical confinement to trap the particles in the pattern area...

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Section: Figurementioning

confidence: 71%

Section: Figurementioning

confidence: 99%

High‐Rate Printing of Micro/Nanoscale Patterns Using Interfacial Convective Assembly

et al. 2020

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“…Coalescence is a process in which two or more particles merge to form a single particle during contact. It is complex because many different stages or pathways may occur simultaneously during the coalescence [ 19 ]. According to the previous studies, the mechanism of nanoparticle coalescence is attributed to the mass transport, which contains four modes including surface diffusion, hydrodynamic flow, evaporation versus condensation, and volume diffusion [ 20 ].…”

Section: Basic Understanding Of Particle Coalescence and Bulk Consmentioning

confidence: 99%

Construction of Inorganic Bulks through Coalescence of Particle Precursors

2021

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Bulk inorganic materials play important roles in human society, and their construction is commonly achieved by the coalescence of inorganic nano- or micro-sized particles. Understanding the coalescence process promotes the elimination of particle interfaces, leading to continuous bulk phases with improved functions. In this review, we mainly focus on the coalescence of ceramic and metal materials for bulk construction. The basic knowledge of coalescent mechanism on inorganic materials is briefly introduced. Then, the properties of the inorganic precursors, which determine the coalescent behaviors of inorganic phases, are discussed from the views of particle interface, size, crystallinity, and orientation. The relationships between fundamental discoveries and industrial applications are emphasized. Based upon the understandings, the applications of inorganic bulk materials produced by the coalescence of their particle precursors are further presented. In conclusion, the challenges of particle coalescence for bulk material construction are presented, and the connection between recent fundamental findings and industrial applications is highlighted, aiming to provide an insightful outlook for the future development of functional inorganic materials.

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“…Consolidation of a monodisperse Al nanopowder was simulated in [18], alloying in a single core-shell Ti-Al bimetallic nanoparticle was modeled by MD simulation in [19]. The use of numerical simulations for the investigation of metallic nanoparticles coalescence is reviewed in [20]. Despite numerous numerical studies in this direction, the problem of bimetallic nanocomposite formation from a bimetallic nanopowder has not been addressed yet.…”

Section: Introductionmentioning

confidence: 99%

Effect of Cold-Sintering Parameters on Structure, Density, and Topology of Fe–Cu Nanocomposites

et al. 2020

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The design of advanced nanostructured materials with predetermined physical properties requires knowledge of the relationship between these properties and the internal structure of the material at the nanoscale, as well as the dependence of the internal structure on the production (synthesis) parameters. This work is the first report of computer-aided analysis of high pressure consolidation (cold sintering) of bimetallic nanoparticles of two immiscible (Fe and Cu) metals using the embedded atom method (EAM). A detailed study of the effect of cold sintering parameters on the internal structure and properties of bulk Fe–Cu nanocomposites was conducted within the limitations of the numerical model. The variation of estimated density and bulk porosity as a function of Fe-to-Cu ratio and consolidation pressure was found in good agreement with the experimental data. For the first time, topological analysis using Minkowski functionals was applied to characterize the internal structure of a bimetallic nanocomposite. The dependence of topological invariants on input processing parameters was described for various components and structural phases. The model presented allows formalizing the relationship between the internal structure and properties of the studied nanocomposites. Based on the obtained topological invariants and Hadwiger’s theorem we propose a new tool for computer-aided design of bimetallic Fe–Cu nanocomposites.

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Computational Modeling of Nanoparticle Coalescence

Cited by 72 publications

References 157 publications

High‐Rate Printing of Micro/Nanoscale Patterns Using Interfacial Convective Assembly

High‐Rate Printing of Micro/Nanoscale Patterns Using Interfacial Convective Assembly

Construction of Inorganic Bulks through Coalescence of Particle Precursors

Effect of Cold-Sintering Parameters on Structure, Density, and Topology of Fe–Cu Nanocomposites

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