Characterizing elastic properties of carbon nanotubes/polyimide nanocomposites using multi-scale simulation

Tsai, Jia-Lin; Tzeng, Shi Hua; Chiu, Yu‐Hui

doi:10.1016/j.compositesb.2009.06.003

Cited by 191 publications

(142 citation statements)

References 30 publications

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“…The electrical conductivity of polyimides is improved by more than 11 orders of magnitudes to 10 −4 S cm −1 at the percolation threshold by the addition of 0.15 % vol CNTs (Tsai et al 2010). Moreover, the nanocomposites containing 10 wt% of MWCNTs resulted in the dielectric constant reaching 60, which are about 17 times of 3.5 for pure polyimide (Thuau et al 2009).…”

Section: Cnts: In Polyimides Polymeric Compositesmentioning

confidence: 95%

Multifunctionalized Carbon Nanotubes Polymer Composites: Properties and Applications

Julkapli

Sapuan

2015

Advanced Structured Materials

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Carbon nanotubes (CNTs) is a rigid rod-like nanoscale material produced from carbon in powder, liquid, or gel form via acid or chemical hydrolysis. Due to its unique and exceptional renewability, biodegradability, mechanical, physicochemical properties, and abundance, the incorporation associated with a small quantity of CNTs to polymeric matrices enhance the mechanical and thermal resistance, and also stability of the latter by several orders of magnitude. Moreover, NCC-derived carbon materials are of no serious threat to the environment, providing further impetus for the development and applications of this green and renewable biomaterial for lightweight and degradable composites. Surface functionalization of CNTs remains the focus of CNTs research in tailoring its properties for dispersion in hydrophilic and hydrophobic media. Through functionalization, the attachment of appropriate chemical functionalities between conjugated sp 2 of CNTs and polymeric matrix is established. It is thus of utmost importance that the tools and protocols for imaging CNTs in a complex matrix and quantify its reinforcement, antimicrobial, stability, hydrophilicity, and biodegradability are be developed.

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Section: Cnts: In Polyimides Polymeric Compositesmentioning

confidence: 95%

Multifunctionalized Carbon Nanotubes Polymer Composites: Properties and Applications

Julkapli

Sapuan

2015

Advanced Structured Materials

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“…Recent MD studies have shown that the Dreiding force field can be successfully used for the predictions of the elastic properties of CNT composites, yield criterion for PMMA and the crystallization of polymer chains on the CNT walls, respectively [32,46,47]. Furthermore, the Dreiding force field parameters can be extended to include atomic bonds with a user specified stiffness and length.…”

Section: Force Fields and Potential Energymentioning

confidence: 98%

“…where E r , E θ , E φ , E ω and E nb are, respectively, the bond stretching energy, angle bending energy, torsional energy, inversion energy, and the non-bond energy [39,46]. …”

Section: Force Fields and Potential Energymentioning

confidence: 99%

Mechanics of Graphene and Carbon Nanotubes Under Uniaxial Compression and Tension

Poelma

Zhang

2014

Molecular Modeling and Multiscaling Issues for Electronic Material Applications

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In this chapter, we study the mechanics of nanostructures such as graphene sheets and carbon nanotubes under unidirectional compression and tension. The nanostructures are influenced by temperature effects and vacancy defects and their mechanical behavior is predicted using molecular dynamics (MD). The numerical MD models are validated by comparison with analytical models derived from continuum theory. A straight forward modeling approach is discussed to prescribe boundary conditions on the atoms and to extract reaction forces. This approach allows us to investigate various different loading cases as well as the effects of temperature and defects on the mechanical stability of nanostructures. Two case studies are presented in this chapter. Study (1) discusses the effects of vacancy defect position and temperature on the carbon nanotube (CNT) critical buckling load. The study considers (multiwall) CNTs of various diameters, lengths, and wall thicknesses. Study (2) focuses on the stability of uniaxial compressed graphene sheets with and without defects and hydrogen termination. In addition, the adhesive stability of graphene sheets on different substrates is investigated to study different graphene to substrate transfer routes.

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“…The properties of this effective fiber were then used in an asymptotic expansion homogenization theory to predict the elastic stiffness of nanocomposites. Tsai et al [65] applied a three-phase micromechanics model to describe the interphase zone in CNT/PI composites. By comparing these MD simulation results with both two-phase and three-phase model predictions, the validity of their three-phase modeling approach was proven.…”

Section: Description Of the Interphase Zonementioning

confidence: 99%

Multiscale Modeling of Polymer–Nanotube Nanocomposites

Cho

Yang

2014

Polymer Nanotube Nanocomposites

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Ever since the successful formation of carbon nanotube (CNT)-based polymer composites was first reported, research into their synthesis, measurement and characterization, and modeling and analysis has extensively grown to become a mainstream field of advanced materials science. This chapter briefly summarizes the various multiscale computational modeling approaches for CNT-polymer nanocomposites at various length scales. We also introduce a fully and sequentially integrated inverse multiscale analysis to characterize the elastic and inelastic behavior of CNT-polymer nanocomposites by combining atomistic simulation and a continuum micromechanics model. Fundamentals of the MD simulation, average-field theory, and homogenization theory are provided along with useful mathematical formulations for the effective properties of nanocomposites that are analogous to their constitutive relation.

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Characterizing elastic properties of carbon nanotubes/polyimide nanocomposites using multi-scale simulation

Cited by 191 publications

References 30 publications

Multifunctionalized Carbon Nanotubes Polymer Composites: Properties and Applications

Multifunctionalized Carbon Nanotubes Polymer Composites: Properties and Applications

Mechanics of Graphene and Carbon Nanotubes Under Uniaxial Compression and Tension

Multiscale Modeling of Polymer–Nanotube Nanocomposites

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