Modeling of Interface Behavior in Carbon Nanotube Composites

Awasthi, Amnaya P.; Lagoudas, Dimitris C.; Hammerand, Daniel C.

doi:10.2514/6.2006-1677

Cited by 5 publications

(8 citation statements)

References 18 publications

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“…(2)(3)(4)(5)(6)(7)(8)(9)(10)). Figure 5 shows the Gaussian quadrature points as red dots along the integration contour (solid line).…”

Section: Preliminary Results For Atomistic J-integral Computationmentioning

confidence: 99%

“…In recent years numerous efforts have been directed towards modeling nanocomposites in order to better understand the reasons behind the enhancement of mechanical properties, even by the slight addition (a few weight percent) of nano-materials [1][2][3][4][5][6][7][8][9][10][11][12] . In studying molecular systems however, a multi-scale and multiphysics simulation approach is considered computationally more viable since relying on a single time or length scale can take a huge amount of computational resources and can potentially lead to inaccurate results.…”

Section: Introductionmentioning

confidence: 99%

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Multi-scale Modeling of Nano-Particle Reinforced Polymers in the Nonlinear Regime

Roy¹,

Akepati²,

Hayes³

2012

53rd AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics and Materials Conference

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5
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Over the past decade, mechanical characterization data for nanoparticle reinforced polymer matric composites (PMC) has shown significant improvements in compressive strength and interlaminar shear strength in comparison with baseline properties. While the synergistic reinforcing influence of nanoparticle reinforcement is obvious, a simple rule-ofmixtures approach fails to quantify the dramatic increase in mechanical properties. Consequently, there is an immediate need to investigate and understand the mechanisms at the nanoscale that are responsible for such unprecedented strength enhancements. A multiscale and multi-physics simulation approach is considered computationally more viable since relying on a single time or length scale may require huge amounts of computational resources and can potentially lead to inaccurate results. A proof-of-concept case study involving crack initiation in a graphene nano-platelet is presented, together with a methodology for computing the atomistic J-integral based on Hardy estimates of continuum fields. The same methodology will be used to gain a better understanding of the influence of nanoscale phenomena on continuum scale mechanical properties of a polymer nanocomposite. It is envisioned that the current research will contribute towards the understanding of advanced nanostructured composite materials within the context of Integrated Computational Materials Engineering (ICME). Nomenclaturefs = 10 -15 seconds K = Kelvin B k = Boltzmann constant LAMMPS = Large-scale Atomic/Molecular Massively Parallel Simulator MD = Molecular Dynamics nm = Nanometer P = 1 st Piola-Kirchhoff stress tensor Ψ = Free energy density ψ = Localization function S = Eshelby stress tensor

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“…(2)(3)(4)(5)(6)(7)(8)(9)(10)). Figure 5 shows the Gaussian quadrature points as red dots along the integration contour (solid line).…”

Section: Preliminary Results For Atomistic J-integral Computationmentioning
confidence: 99%

Section: Introductionmentioning
confidence: 99%

Multi-scale Modeling of Nano-Particle Reinforced Polymers in the Nonlinear Regime
Roy¹,
Akepati²,
Hayes³
2012
53rd AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics and Materials Conference
3
0
5
0
View full text Add to dashboard Cite

show abstract

“…[15] 5. Preliminary results for atomistic J-integral computation Numerical integration through Gaussian quadrature was employed to evaluate atomistic J-integral using the equations discussed in the previous section (Equations (2)(3)(4)(5)(6)(7)(8)(9)(10)). Figure 4 shows the Gaussian quadrature points as dots along the integration contour.…”

Section: Atomistic J-integral Evaluation Methodologymentioning
confidence: 99%

“…Riddick et al [5] used equivalent modeling of carbon nanotubes (CNTs) in polymers to study the fracture toughness of polymer matrix composites with CNTs embedded in them. Awasthi et al [6] employed MD to determine the force-displacement curves between nanoinclusions (CNT) and the polymer system.…”

Section: Background On Multi-scale Modelingmentioning
confidence: 99%

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Determination of atomisticJ-integral of graphene sheet using the molecular dynamics method
Roy
¹
,
Akepati
²

2013
Composite Interfaces
8
0
0
0
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Over the past decade, mechanical characterization data for nanoparticle-reinforced polymer matrix composites have shown significant improvements in compressive strength and interlaminar shear strength, in comparison with baseline properties. While the synergistic reinforcing influence of nanoparticle reinforcement is obvious, a simple rule-of-mixtures approach fails to quantify the dramatic increase in mechanical properties. Consequently, there is an immediate need to investigate and understand the mechanisms at the nanoscale that are responsible for such unprecedented strength enhancements. A multi-scale and multi-physics simulation approach is considered computationally more viable since relying on a single time or length scale may require huge amounts of computational resources and can potentially lead to inaccurate results. A proof-of-concept case study involving crack initiation in a graphene nanoplatelet is presented, together with a methodology for computing the atomistic J-integral based on Hardy estimates of continuum fields. The same methodology will be used to gain a better understanding of the influence of nanoscale phenomena on continuum-scale mechanical properties of a polymer nanocomposite. It is envisioned that the current research will contribute towards the understanding of advanced nanostructured composite materials within the context of integrated computational materials engineering.
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A Nano-micro-macro-multiscale Model for Progressive Failure Prediction in Advanced Composites
Roy
¹
,
Kumar
²
,
Li
³

2016
The Structural Integrity of Carbon Fiber Composites
3
0
4
0
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Modeling of Interface Behavior in Carbon Nanotube Composites

Cited by 5 publications

References 18 publications

Multi-scale Modeling of Nano-Particle Reinforced Polymers in the Nonlinear Regime

Multi-scale Modeling of Nano-Particle Reinforced Polymers in the Nonlinear Regime

Determination of atomisticJ-integral of graphene sheet using the molecular dynamics method

A Nano-micro-macro-multiscale Model for Progressive Failure Prediction in Advanced Composites

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