Self-assembly of spheroidal triblock Janus nanoparticle solutions in nanotubes

Kobayashi, Yusei; Inokuchi, Takuya; Nishimoto, Atushi; Arai, Noriyoshi

doi:10.1039/c8me00074c

Cited by 7 publications

(5 citation statements)

References 32 publications

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“…These structures include tripods, tetrapods, and hexapods. Analogous to references [149,150], self-assembly of Janus particles in a two-dimensional confinement has been reported by Baran et al [151,152] using MC simulations with implicit solvent conditions and MD simulations [153]. Self-assembly of Janus particles confined in a cylindrical channel with circular harmonic trap has been reported using MD simulations [148].…”

Section: Self-assembly In External Fieldmentioning

confidence: 57%

“…Self-assembly of colloids under spatial confinement can be exploited to induce orientation-dependent interactions [148][149][150][151]. Self-assembly of spherical diblock and spheroidal triblock Janus nanoparticle solutions confined in a nanotube were studied using DPD framework [149,150]. The inner surface of the confining tube was either hydrophilic or hydrophobic or hydroneutral.…”

Section: Self-assembly In External Fieldmentioning

confidence: 99%

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Computer simulations of self-assembly of anisotropic colloids

Krishnamurthy¹,

K²,

Mani³

2022

J. Phys.: Condens. Matter

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Computer simulations have played a significant role in understanding the physics of colloidal self-assembly, interpreting experimental observations, and predicting novel mesoscopic and crystlline structures. Recent advances in computer simulations of colloidal self-assembly driven by anisotropic or orientation-dependent inter-particle interactions are highlighted in this review. These interactions are broadly classified into two classes: entropic and enthalpic interactions. They mainly arise due to shape anisotropy, surface heterogeneity, compositional heterogeneity, external field, interfaces and confinements. Key challenges and opportunities in the field are discussed.

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Section: Self-assembly In External Fieldmentioning

confidence: 57%

Section: Self-assembly In External Fieldmentioning

confidence: 99%

Computer simulations of self-assembly of anisotropic colloids

Krishnamurthy¹,

K²,

Mani³

2022

J. Phys.: Condens. Matter

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“…where ρ wall is the number density of the NT wall, a wall is the interaction parameter between the wall and the DPD bead, R is the normal vector from the wall surface to the bead, and R = |R|. To avoid unphysical overlapping of the beads into the wall of the NT at high pressure, ρ wall was set at 10.0 based on our previous studies [19][20][21]. In this study, we adopted the hydrophilic NT wall as shown in table 1.…”

Section: Methods and Modelsmentioning

confidence: 99%

“…Confinement to nanoscale space is another way to change the self-assembled structure of NPs, and it is known to produce unique structures and properties that differ from those of bulk [19][20][21]. Wu et al [22] investigated the morphology of charged silica NPs dispersed or confined in microchannels.…”

Section: Introductionmentioning

confidence: 99%

Effect of chemical design of grafted polymers on the self-assembled morphology of polymer-tethered nanoparticles in nanotubes

Sato

Kobayashi

Arai

2021

J. Phys.: Condens. Matter

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There is a clear relationship between the self-assembling architecture of nanoparticles (NPs) and their physical properties, and they are currently used in a variety of applications, including optical sensors. Polymer-tethered NPs, which are created by grafting polymers onto NPs to control the self-assembly of NPs, have attracted considerable attention. Recent synthetic techniques have made it possible to synthesize a wide variety of polymers and thereby create NPs with many types of surfaces. However, self-assembled structures have not been systematically classified because of the large number of tuning parameters such as the polymer length and graft density. In this study, by using coarse-grained molecular simulation, we investigated the changes in the self-assembled structure of polymer-tethered NP solutions confined in nanotubes due to the chemical properties of polymers. Three types of tethered polymer NP models were examined: homo hydrophilic, diblock hydrophilic–hydrophobic (HI–HO), and diblock hydrophobic–hydrophilic. Under strong confinement, the NPs were dispersed in single file at low axial pressure. As the pressure increased, multilayered lamellar was observed in the HI–HO model. In contrast, under weak confinement, the difference in the pressure at which the phases emerge, depending on the model, was significant. By changing the chemical properties of the grafted polymer, the thermodynamic conditions (the axial pressure in this study) under which the phases appear is altered, although the coordination of NPs remains almost unchanged. Our simulation offers a theoretical guide for controlling the morphologies of self-assembled polymer-tethered NPs, a novel system that may find applications in nanooptical devices or for nanopatterning.

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“…[10][11][12] Designing colloidal particles with anisotropic shapes and chemical interactions is an effective method to control the morphologies of self-assembled NPs. [13][14][15][16] Janus NPs are one of the unique anisotropic NPs. They have received considerable attention because of their physical characteristics due to at least two distinct chemical or physical surfaces.…”

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confidence: 99%

Predominant Factor Determining Thermal Conductivity Behavior of Nanofluid: Effect of Cluster Structures with Various Nanoparticles

Kobayashi

Arai

2019

J. Electrochem. Soc.

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Despite several research efforts, the detailed mechanism that dominates the thermal conductivity of nanofluids has not been explained. We investigated the effect of the chemical surface design of NPs (hydrophobic-hydrophilic balance of the NPs containing Janus surface) and verified the influence of their self-assembled structures on the thermal conductivity of a nanofluid using molecular simulation. When hydrophobic (HO) NPs are added to a nanofluid, they only form one large cluster because they do not prefer to be in contact with water molecules. Hence, an increment in the thermal conductivity of the nanofluid added with HO NPs was observed. On the contrary, the mean cluster size of Janus NPs was limited because of their limited HO superficial areas (attractive domains). Hence, an increment in the enhancement ratio of thermal conductivity was not observed even when the volume fraction of the NPs (φ NP ) was increased. Thus, our results demonstrate that the mean cluster size of NPs is the key factor for thermal conductivity enhancement. In addition, this study reveals that it is possible to control the thermal conductivity of nanofluids (or the mean cluster size of Janus NPs) using Janus NPs with surfaces designed using anisotropic chemical interactions.

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Self-assembly of spheroidal triblock Janus nanoparticle solutions in nanotubes

Abstract: We have performed coarse-grained molecular simulations to investigate the morphologies and phase diagrams of self-assembled spheroidal triblock Janus nanoparticles (JNPs) confined in nanotubes.

Cited by 7 publications

References 32 publications

Computer simulations of self-assembly of anisotropic colloids

Computer simulations of self-assembly of anisotropic colloids

Effect of chemical design of grafted polymers on the self-assembled morphology of polymer-tethered nanoparticles in nanotubes

Predominant Factor Determining Thermal Conductivity Behavior of Nanofluid: Effect of Cluster Structures with Various Nanoparticles

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