Influence of platelet aspect ratio on the mechanical behaviour of bio-inspired nanocomposites using molecular dynamics

Mathiazhagan, S.; Anup, S.

doi:10.1016/j.jmbbm.2015.12.008

Cited by 24 publications

(11 citation statements)

References 67 publications

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“…However, for neat films, substantial lateral expansion occurs during uniaxial extension due to the topological constraints of the CG bead-spring model. Additionally, uniformity is often assumed in the distributions of stress within both the matrix and stiff constituents, but recent simulations have suggested that the actual distributions of deformation within these domains are much more complex (Mathiazhagan and Anup, 2016c). Finally, in the context of CG bead-spring systems, as the fibers slide out of their close packed configuration during the initial film stretching, the directions of the frictional forces between fibers (the interactions that provide the effective matrix shear modulus) are not aligned with the axial fiber direction.…”

Section: Structural and Fiber Length Effectsmentioning

confidence: 99%

“…The initial moduli predictions of long fiber, neat films all lie within expected ranges derived from continuum theories (see Supplemental Information). The convergent behavior between neat film and continuum theory predictions is motivated by the increased uniformity of axial stresses in stiff nanocomposite elements as their length increases (Mathiazhagan and Anup, 2016c).…”

Section: Structural and Fiber Length Effectsmentioning

confidence: 99%

“…The improved strengths of long fiber films may also be aided by the admissibility of bending within and rotation about their stiff elements. Continuum theories of often neglect this contribution (Zhang Z. Q. et al, 2010;Lei et al, 2013;Qwamizadeh et al, 2017a), but it may be significant in brick and mortar systems with non-regular orderings and long fibers (Mathiazhagan and Anup, 2016c).…”

Section: Sensitivity To Structural Randomnessmentioning

confidence: 99%

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Microstructure and Size Effects on the Mechanics of Two Dimensional, High Aspect Ratio Nanoparticle Assemblies

Marchi

Keten

2019

Front. Mater.

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Uniaxially arranged nanocomposite structures are common across biological materials. Through efficient structural ordering and hierarchies, these materials exhibit stiffnesses and strengths comparable to the better of their constituents. While much is known regarding the mechanical properties of materials with explicit stiff and compliant phases, substantially less is understood about neat (matrix-free) materials composed from high aspect ratio particles. A promising example of nanoparticle assemblies are cellulose nanocrystal (CNC) thin films, which display desirable elastic and failure properties. Despite the exceptional properties of CNC films, accurately linking their nanoscopic properties to macroscale performance remains a challenge. Therefore, this work assesses the effects of fiber geometry and in-plane topology on the elastic and failure behaviors of neat CNC thin films using an atomistically informed coarse-grained molecular dynamics model. Short fiber films show a greater dependence on their specific in-plane ordering compared to longer fiber films. Furthermore, aligned, brick, and mortar type CNC films exhibit a remarkable resiliency to random structural perturbations, particularly for films built from long fibers. Finally, simulation size is shown to affect the apparent failure properties of CNC films, with no meaningful impact on elastic property predictions. The relationships between structure and fiber length, as well as the sensitivities to structural randomness and simulation size, elucidated herein provide a comprehensive overview of the expected mechanics of high aspect ratio nanoparticle assemblies.

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Section: Structural and Fiber Length Effectsmentioning

confidence: 99%

Section: Structural and Fiber Length Effectsmentioning

confidence: 99%

Section: Sensitivity To Structural Randomnessmentioning

confidence: 99%

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Microstructure and Size Effects on the Mechanics of Two Dimensional, High Aspect Ratio Nanoparticle Assemblies

Marchi

Keten

2019

Front. Mater.

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“…Many numerical studies have been conducted to investigate the mechanical behavior of nanocomposites. However, most of these were conducted to find out the mechanical response and deformation mechanisms under longitudinal loading [5,6] and a few under transverse loading [7,8]. In the case of transverse loading one potential challenge is the structural arrangement of the reinforcements.…”

Section: Introductionmentioning

confidence: 99%

“…An alternative approach is molecular dynamics (MD). Molecular dynamics can take care of the discrete nature of atoms at the atomic scale [6,15] and can provide reliable analysis about the mechanical behavior of nanocomposites.…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics study of toughening mechanisms in nano-composites as a function of structural arrangement of reinforcements

Sahu

Anup

2016

Materials & Design

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A New Structure Model of Biomimetic Composites Considering the Sub‐Microscale Porosity of Bone

Hao

2019

Adv Eng Mater

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As the basic unit at sub‐microscale, mineralized collagen fibrils are closely related to the extraordinary mechanical properties of bone, which has inspired the design of biomimetic materials. The original staggered structure model has not taken the porosity of lamellae and its influence on the distribution of fibrils into account, which result in the inhomogeneous stress in the hard phase. According to the image from the authors’ experiment, a structure model of biomimetic composites with porosity is proposed. The constitutive relations of the original model and the new model are established, respectively. On this basis, mechanical properties with respect to the aspect ratio of the hard platelets are studied. Finally, the two structure models are simulated by the finite element method. The results reveal that the new structure has a more uniform stress distribution under external force. So it has higher stiffness and strength mass ratio, stronger toughness, and maintains a relatively high‐damping coefficient. It is illustrated that the new structure model can give full play to the mechanical potential of each phase in the composite. The findings are of great significance to design biomimetic materials with superior mechanical properties.

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Influence of platelet aspect ratio on the mechanical behaviour of bio-inspired nanocomposites using molecular dynamics

Cited by 24 publications

References 67 publications

Microstructure and Size Effects on the Mechanics of Two Dimensional, High Aspect Ratio Nanoparticle Assemblies

Microstructure and Size Effects on the Mechanics of Two Dimensional, High Aspect Ratio Nanoparticle Assemblies

Molecular dynamics study of toughening mechanisms in nano-composites as a function of structural arrangement of reinforcements

A New Structure Model of Biomimetic Composites Considering the Sub‐Microscale Porosity of Bone

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