Recent Studies on the Multiscale Analysis of Polymer Nanocomposites

Chung, Ingyun; Cho, Maenghyo

doi:10.1007/s42493-019-00022-4

Cited by 13 publications

(9 citation statements)

References 197 publications

(250 reference statements)

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“…They transfer local displacements between the two descriptions in an overlap region and are able to reproduce atomistic results without refining the continuum mesh to atomisitic resolution. A comprehensive overview of multiscale studies of polymer nanocomposites is given in [69,70,71].…”

Section: Numerical Studiesmentioning

confidence: 99%

A coupled MD-FE methodology to characterize mechanical interphases in polymeric nanocomposites

Ries

Possart

Steinmann

et al. 2021

International Journal of Mechanical Sciences

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This contribution introduces an unconventional procedure to characterize spatial profiles of elastic and inelastic properties inside polymer interphases around nanoparticles. Interphases denote those regions in the polymer matrix whose mechanical properties are influenced by the filler surfaces and thus deviate from the bulk properties. They are of particular relevance in case of nano-sized filler particles with a comparatively large surface-to-volume ratio and hence can explain the frequent observation that the overall properties of polymer nanocomposites cannot be determined by classical mixing rules, which only consider the behavior of the individual constituents. Interphase characterization for nanocomposites poses hardly solvable challenges to the experimenter and is still an unsolved problem in many cases. Instead of real experiments, we perform pseudo experiments using our recently developed Capriccio method, which is an MD-FE domain-decomposition tool specifically designed for amorphous polymers. These pseudo-experimental data then serve as input for a typical inverse parameter identification. With this procedure, spatially varying mechanical properties inside the polymer are, for the first time, translated into intuitively understandable profiles of continuum mechanical parameters. As a model material, we employ silica-enforced polystyrene, for which our procedure reveals exponential saturation profiles for Young's modulus and the yield stress inside the interphase, where the former takes about seven times the bulk value at the particle surface and the latter roughly triples. Interestingly, hardening coefficient and Poisson's ratio of the polymer remain nearly constant inside the interphase. Besides gaining insight into the constitutive influence of filler particles, these unexpected and intriguing results also offer interesting explanatory options for the failure behavior of polymer nanocomposites.

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Section: Numerical Studiesmentioning

confidence: 99%

A coupled MD-FE methodology to characterize mechanical interphases in polymeric nanocomposites

Ries

Possart

Steinmann

et al. 2021

International Journal of Mechanical Sciences

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“…With the advancement of wearable devices that are attached to various joints in a human body (such as elbows or knees), a demand on highly stretchable strain sensors rises and extensive studies have been performed to develop flexible and highly deformable sensors with high sensitivity [1][2][3][4][5][6][7][8][9][10]. One of the most promising candidates is a piezoresistive strain sensor based on metal nanowire-embedded polymer composites, which have been extensively studied experimentally and numerically [11][12][13][14][15][16][17][18][19]. For example, one of the most cited studies by Amjadi et al utilized sandwiched silver nanowire-elastomer composites which shows the gauge factor of 2-14 with the maximum stretchability of 70%, with relatively small hysteresis upon loading-unloading cycle [17].…”

Section: Introductionmentioning

confidence: 99%

Orientation Distribution Dependence of Piezoresistivity of Metal Nanowire-Polymer Composite

Jung

Lee

Pugno

et al. 2020

Multiscale Sci. Eng.

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In this study, we investigate the piezoresistivity of metal nanowire networks embedded in a polymer, which has been widely used as a highly-stretchable strain sensor, by varying the orientation distribution of nanowires. For simplicity, we assume the affine transform of the nanowire network upon stretching and compute the effective conductivity of the nanowire network by recognizing the percolation network connecting low and high voltage boundaries. Orientation-dependence is then studied firstly by varying the range of polar angle and secondly by changing the degree of alignment along loading direction. Since nanowires are embedded in thin nanowire-polymer film in most stretchable sensor applications, instead of having random orientation distribution over full solid angle, nanowires have a limited range of polar angle distribution around 90° (when the surface normal vector of a thin film is given as the zenith direction). We show that the gauge factor (relative resistance change over applied mechanical strain) decreases as the polar angle distribution gets narrower. We then study the effect of nanowire alignment on the piezoresistive response, by assuming partial alignment distribution along the tensile direction. We find that a wide range of the gauge factor, from negative to positive, appears as the initial partial alignment angle varies, and explained such response by analyzing the relative electrical path change between a pair of nanowires. Our study deepens the understanding on the percolation-network based piezoresistive sensors and provides a guideline for designing a stretchable strain sensor with the desired gauge factor.

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“…The advent of modern computer machines led to the development of sophisticated computer techniques that admit the statistical computational design of heterogeneous composite materials [57], the improvement of nanoscale techniques to study the phenomenological behavior of nanocomposite materials [10], the explicit simulation of the interface between dissimilar materials [9,37], as well as the internal structure of the material by considering the presence of aggregates, mortar, ITZs, as well as the voids and weak inclusions [11,19,55]. Such tools provide a better understanding of the concrete physical behavior.…”

Section: Introductionmentioning

confidence: 99%

2D Crack Propagation in High-Strength Concrete Using Multiscale Modeling

Gimenes

Rodrigues

Maedo

et al. 2020

Multiscale Sci. Eng.

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In this work a concurrent multiscale (macro and mesoscale) approach for high-strength concrete (HSC) is proposed for seeking to better understand the influence of coarse aggregate type, shape, and size distribution as well as the interfacial transition zone (ITZ) effects on the fracture mechanical responses. A linear elastic model with homogenized elastic properties is used for the macroscale, while a three-phase material composed of coarse aggregates, mortar matrix and the ITZ equipped with nonlinear behavior models are assumed for the mesoscopic level. To geometrically represent and gain insights into effects of coarse aggregates, two polygonal shapes are assumed: irregular quadrilateral and regular octagonal forms, which are used separated and randomly generated from a given grading curve and placed in the mesoscale region using the "take-and-place" method. A mesh fragmentation technique is used to explicitly represent the crack propagation process by considering the individual behavior of each phase as well as their mutual interactions. The non-matching macro and mesoscopic meshes are attached based on the use of coupling finite elements in the context of the rigid coupling scheme to adequately guarantee the continuity of displacement between both scales. Numerical analyses of dog-bone shape specimens under tensile load and three-point bending beams were performed. The responses obtained numerically show a good agreement with experimental ones found in literature demonstrating how the proposed approach is efficient, robust and useful for modeling crack propagation in HSC.

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Recent Studies on the Multiscale Analysis of Polymer Nanocomposites

Cited by 13 publications

References 197 publications

A coupled MD-FE methodology to characterize mechanical interphases in polymeric nanocomposites

A coupled MD-FE methodology to characterize mechanical interphases in polymeric nanocomposites

Orientation Distribution Dependence of Piezoresistivity of Metal Nanowire-Polymer Composite

2D Crack Propagation in High-Strength Concrete Using Multiscale Modeling

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