Molecular mechanisms in deformation of cross-linked hydrogel nanocomposite

Mathesan, Santhosh; Rath, Amrita; Ghosh, Pijush

doi:10.1016/j.msec.2015.09.087

Cited by 25 publications

(20 citation statements)

References 27 publications

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“…As a consequence, hydrogen bonds are gradually formed during loading, and the deformation rate slows, as the hydrogen bonds formed restrict the motion of fibrils. This behavior of hydrogen bonds has been also observed in other polymeric systems using, for example, chitosan and hydroxyapatite (HA) nanoparticles for cartilage and bone tissue reconstruction . Within this context, when MNPs fibers are well attached to BNC fibers (see Figures and ) the above bonding mechanism driven by compressive load can be inhibited and, therefore, BNC samples will both be stiffer and harder compared with MBNC.…”

Section: Resultsmentioning

confidence: 99%

“…This behavior of hydrogen bonds has been also observed in other polymeric systems using, for example, chitosan and hydroxyapatite (HA) nanoparticles for cartilage and bone tissue reconstruction. [35] Within this context, when MNPs fibers are well attached to BNC fibers (see Figures 2 and 3) the above bonding mechanism driven by compressive load can be inhibited and, therefore, BNC samples will both be stiffer and harder compared with MBNC. This type of restriction mechanism was described [36] in order to explain their creep results of BNC creep, as will be discussed in the following section of this paper.…”

Section: Monotonic Nano-mechanical Properties Of Bnc and Mbncmentioning

confidence: 99%

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In situ Study Unravels Bio‐Nanomechanical Behavior in a Magnetic Bacterial Nano‐cellulose (MBNC) Hydrogel for Neuro‐Endovascular Reconstruction

Pavón

Allain

Verma

et al. 2018

Macromolecular Bioscience

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Surgical clipping and endovascular coiling are well recognized as conventional treatments of Penetrating Brain Injury aneurysms. These clinical approaches show partial success, but often result in thrombus formation and the rupture of aneurysm near arterial walls. The authors address these challenging brain traumas with a unique combination of a highly biocompatible biopolymer hydrogel rendered magnetic in a flexible and resilient membrane coating integrated to a scaffold stent platform at the aneurysm neck orifice, which enhances the revascularization modality. This work focuses on the in situ diagnosis of nano‐mechanical behavior of bacterial nanocellulose (BNC) membranes in an aqueous environment used as tissue reconstruction substrates for cerebral aneurysmal neck defects. Nano‐mechanical evaluation, performed using instrumented nano‐indentation, shows with very low normal loads between 0.01 to 0.5 mN, in the presence of deionized water. Mechanical testing and characterization reveals that the nano‐scale response of BNC behaves similar to blood vessel walls with a very low Young´s modulus, E (0.0025 to 0.04 GPa), and an evident creep effect (26.01 ± 3.85 nm s−1). These results confirm a novel multi‐functional membrane using BNC and rendered magnetic with local adhesion of iron‐oxide magnetic nanoparticles.

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Section: Resultsmentioning

confidence: 99%

Section: Monotonic Nano-mechanical Properties Of Bnc and Mbncmentioning

confidence: 99%

In situ Study Unravels Bio‐Nanomechanical Behavior in a Magnetic Bacterial Nano‐cellulose (MBNC) Hydrogel for Neuro‐Endovascular Reconstruction

Pavón

Allain

Verma

et al. 2018

Macromolecular Bioscience

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“…In the case of nanocomposite materials based on thermoset polymer matrix, the physical properties and the interfacial phase changes due to the crosslink ratio among polymer chains are dominantly analyzed [3,[14][15][16]; Kim et al [3] investigate the influences of polymer crosslink density on the mechanical property of polymer nanocomposites, which is shown in Fig. 11.…”

Section: Current Molecular Dynamics Modelsmentioning

confidence: 99%

Recent Studies on the Multiscale Analysis of Polymer Nanocomposites

Chung

Cho

2019

Multiscale Sci. Eng.

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Ever since several formations of polymer-based nanocomposites were reported, research on their modeling, characterization, and computerized analysis methodology has been extensively investigated to become a major academic field of advanced material science and technology. This paper mainly summarizes the multiscale computational analysis methodology for polymer nanocomposites. We also introduce various computational modeling approaches to characterizing the physical behavior of polymer nanocomposites, which are the molecular dynamics approach, and the continuum approach. Based on the various computational analyses, we summarize how the material properties and phenomenological behaviors of polymer nanocomposites were analyzed.

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“…Researchers have proposed all-atom models (Tönsing and Oldiges, 2001;Oldiges and Tönsing, 2002;Wu et al, 2009;Mathesan et al, 2016;Xu et al, 2016;Hou et al, 2019) to investigate the structural and physical properties of hydrogels, such as the hydrogen-bond configuration and thermal conductivity. These models usually contain only several short polymer chains whose lengths are in the same scale of the persistent length of polymer chains.…”

Section: Introductionmentioning

confidence: 99%

“…When applying DPD, or other coarse grained MD simulations to study polymers or polymer gels, a physical crosslinking process is crucial to construct real polymer network. However, many previous works (Wu et al, 2009;Nawaz and Carbone, 2014;Mathesan et al, 2016;Jin et al, 2018;Hou et al, 2019;Xing et al, 2019) construct polymer models based on hypothetical cross-linked network structures which inevitably loses some structural components, such as branch chains, polymer loops, unreacted monomers, short segments et al For instance, Xing et al (2019) constructed 3D cross-linked networks for DNA hydrogels, while the chain length between cross-linking points was set to be constant. Jin et al (2018) built randomly cross-linked polymer networks with the real cross-linking densities, while all the polymer chains are forced to crosslink.…”

Section: Introductionmentioning

confidence: 99%

Study on Large Deformation Behavior of Polyacrylamide Hydrogel Using Dissipative Particle Dynamics

Lei

2020

Front. Chem.

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Meso-scale models for hydrogels are crucial to bridge the conformation change of polymer chains in micro-scale to the bulk deformation of hydrogel in macro-scale. In this study, we construct coarse-grain bead-spring models for polyacrylamide (PAAm) hydrogel and investigate the large deformation and fracture behavior by using Dissipative Particle Dynamics (DPD) to simulate the crosslinking process. The crosslinking simulations show that sufficiently large diffusion length of polymer beads is necessary for the formation of effective polymer. The constructed models show the reproducible realistic structure of PAAm hydrogel network, predict the reasonable crosslinking limit of water content and prove to be sufficiently large for statistical averaging. Incompressible uniaxial tension tests are performed in three different loading rates. From the nominal stress-stretch curves, it demonstrated that both the hyperelasticity and the viscoelasticity in our PAAm hydrogel models are reflected. The scattered large deformation behaviors of three PAAm hydrogel models with the same water content indicate that the mesoscale conformation of polymer network dominates the mechanical behavior in large stretch. This is because the effective chains with different initial length ratio stretch to straight at different time. We further propose a stretch criterion to measure the fracture stretch of PAAm hydrogel using the fracture stretch of CC bonds. Using the stretch criterion, specific upper and lower limits of the fracture stretch are given for each PAAm hydrogel model. These ranges of fracture stretch agree quite well with experimental results. The study shows that our coarse-grain PAAm hydrogel models can be applied to numerous single network hydrogel systems.

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Molecular mechanisms in deformation of cross-linked hydrogel nanocomposite

Cited by 25 publications

References 27 publications

In situ Study Unravels Bio‐Nanomechanical Behavior in a Magnetic Bacterial Nano‐cellulose (MBNC) Hydrogel for Neuro‐Endovascular Reconstruction

In situ Study Unravels Bio‐Nanomechanical Behavior in a Magnetic Bacterial Nano‐cellulose (MBNC) Hydrogel for Neuro‐Endovascular Reconstruction

Recent Studies on the Multiscale Analysis of Polymer Nanocomposites

Study on Large Deformation Behavior of Polyacrylamide Hydrogel Using Dissipative Particle Dynamics

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