Modeling the response of dual cross-linked nanoparticle networks to mechanical deformation

Iyer, Balaji V. S.; Salib, Isaac; Yashin, Victor V.; Kowalewski, Tomasz; Matyjaszewski, Krzysztof; Balazs, Anna C.

doi:10.1039/c2sm27121d

Cited by 48 publications

(105 citation statements)

References 41 publications

(72 reference statements)

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“…The first term characterizes the repulsive interactions between the coated nanoparticles and is given by [3,4]:…”

Section: Methodsmentioning

confidence: 99%

“…where,  N b is the number of bonds formed between the given pair of particles, and  (r) is the spring constant, which increases progressively with the chain end-to-end distance  r  R  2 [3]. The stiffening of the chain is described by the following equation obtained for a worm-like chain [8]:…”

Section: mentioning

confidence: 99%

“…The number of polymer cross-links,  N b , formed between two PGNs by the bonding of the polymer arms depends on the extent of overlap between the coronas of the nanoparticles, and on the kinetics of bond formation and rupture [3]. The set of bonded arms are referred to as a link; in other words, each link in the network corresponds to multiple re-formable bonds.…”

Section: mentioning

confidence: 99%

“…The attractive force acting between the two bonded particles is given by the following equation [3]:…”

Section: mentioning

confidence: 99%

“…Namely, the model must span a range of architectural features and temporal events. Our recently developed approach [3] encompasses the following components: 1) the essential structural features of the polymer grafted nanoparticles, 2) the interactions between the coated particles, 3) the kinetics of bond formation and rupture between the reactive groups on the polymer chains that form the coating, and 4) the resulting global response of a macroscopic sample to an applied tensile force.…”

Section: Introductionmentioning

confidence: 99%

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Strain recovery and self-healing in dual cross-linked nanoparticle networks

et al. 2013

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Via computational modeling, we investigate the mechanism of strain recovery in dual cross-linked polymer grafted nanoparticle (PGN) networks. The individual nanoparticles are composed of a rigid spherical core and a corona of grafted polymers that encompass reactive end groups. With the overlap of the coronas on adjacent particles, the reactive end groups form permanent or labile bonds, and thus form a "dual cross-linked" network. We consider the strain recovery of the material after it is allowed to relax from the application of a tensile force. Notably, the existing labile bonds can break and new bonds can form in the course of deformation. Hence, a damaged material could be "rejuvenated" both in terms of the recovery of strain and the number of bonds, if the relaxation occurs over a sufficiently longtime. We show that this rejuvenation depends on the fraction of permanent bonds and strength of labile bonds. Specifically, we show that while an increase in the labile bond energy leads to formation of a tough material, it also leads to delayed strain recovery. Further, we show that an increase in the fraction of permanent bonds yields improved recovery even after multiple stretch-relaxation cycles.

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“…The first term characterizes the repulsive interactions between the coated nanoparticles and is given by [3,4]:…”

Section: Methodsmentioning

confidence: 99%

Section: mentioning

confidence: 99%

Section: mentioning

confidence: 99%

“…The attractive force acting between the two bonded particles is given by the following equation [3]:…”

Section: mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Strain recovery and self-healing in dual cross-linked nanoparticle networks

et al. 2013

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Chiroptical‐Conjugated Polymer/Chiral Small Molecule Hybrid Thin Films for Circularly Polarized Light‐Detecting Heterojunction Devices

Kim

Kyhm

Han

et al. 2019

Adv Funct Materials

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Herein, a simple and facile strategy is described to obtain chiroptically active semiconductor thin films by blending of poly(3-alkylthiophene)s, which are conventional achiral polymer semiconductors, and 1,1′-binaphthyl (BN), a versatile chiral molecule. As expected, the intermolecular interaction between the two materials is important to extend the chirality of the binaphthyl molecules to the hybrid films. The controlled phase separation and crystallization of poly[3-(6-carboxyhexyl)thiophene-2,5-diyl] (P3CT) and binaphthyl hybrid films result in unique heterojunction bilayer thin-film structures that consisted of BN microcrystals at the top and a P3CT/BN mixed layer at the bottom. Such heterojunction bilayer films exhibit significantly amplified chiroptical response with weak broadened tails, which is due to the enhanced crystallization of the chiral BN molecules and formation of heteroaggregates in the hybrid films. Based on the characterization of crystalline structure and photoluminescence analysis, it is found that new electronic energy states are formed in the conduction band region of P3CTs in the P3CT/BN heteroaggregates, which contribute to chirality transfer from BN to the hybrid films. As a proof of concept, a photodiode capable of distinguishably sensing the leftand right-handed circularly polarized light is successfully fabricated by using the hybrid films with the heterojunction bilayer structure.

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Dual Physically Cross‐Linked Hydrogels Incorporating Hydrophobic Interactions with Promising Repairability and Ultrahigh Elongation

Liu

Yang

et al. 2020

Adv Funct Materials

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Novel dual physically cross-linked (DPC) hydrogels with great tensile strength, ultrahigh elongation, and promising repairability are designed by introducing cellulose nanocrystal (CNC) or hydrophobized CNC (CNC-C8) into polymers physically cross-linked by hydrophobic forces. C18 alkyl chain is grafted to N-[3-(dimethylamino)propyl]methacrylamide (DMAPMA) for hydrophobic monomer (DMAPMA-C18), and C8 to CNC surface for hydrophobic CNC (CNC-C8). CNC-C8 (or CNC) DPC hydrogels are synthesized, with monomers N,N-dimethylacrylamide (DMAc) and DMAPMA-C18 polymerized to form the first network physically cross-linked by hydrophobic interactions, on which the secondary cross-linking points are formed by hydrophobic interactions between CNC-C8 and DMAPMA-C18, electrostatic interactions between CNC-C8 (or CNC) and DMAPMA, as well as hydrogen bonding between CNC-C8 (or CNC) and DMAc. Compared with optimum CNC DPC hydrogels of the highest tensile strength (238 ± 8 kPa), the optimum CNC-C8 DPC hydrogel with 0.0675 w/v% DMAPMA-C18 and 0.4 w/v% CNC-C8 possesses stronger tensile strength of 331 ± 32 kPa and excellent elongation of 4268% ± 1446% as well, demonstrating the enhanced mechanical property of the hydrogel by introduced hydrophobic interactions. In addition, such DPC hydrogel can be facilely repaired with tetrahydrofuran (THF) on the cut surfaces while retaining good tensile stress and elongation behaviors.

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Modeling the response of dual cross-linked nanoparticle networks to mechanical deformation

Cited by 48 publications

References 41 publications

Strain recovery and self-healing in dual cross-linked nanoparticle networks

Strain recovery and self-healing in dual cross-linked nanoparticle networks

Chiroptical‐Conjugated Polymer/Chiral Small Molecule Hybrid Thin Films for Circularly Polarized Light‐Detecting Heterojunction Devices

Dual Physically Cross‐Linked Hydrogels Incorporating Hydrophobic Interactions with Promising Repairability and Ultrahigh Elongation

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