Interface and interphase of nanocomposites tailored by covalent grafting of carbon nanotube: Hierarchical multiscale modeling (Record no. 53642)

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control field MX-MdCICY
005 - DATE AND TIME OF LATEST TRANSACTION
control field 20250625162432.0
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Transcribing agency CICY
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Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) B-19517
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245 10 - TITLE STATEMENT
Title Interface and interphase of nanocomposites tailored by covalent grafting of carbon nanotube: Hierarchical multiscale modeling
490 0# - SERIES STATEMENT
Volume/sequential designation International Journal of Mechanical Sciences, 220, p.107160, 2022
520 3# - SUMMARY, ETC.
Summary, etc. Covalent grafting between carbon nanotubes (CNTs)and a polymer matrix is the most efficient way to tailor the intrinsically weak interface in nanocomposites. To understand the grafted structure-to-improved property relationship of nanocomposites, however, the degradation of grafted CNT and the properties of surrounding interphase zone should be accounted for in constitutive model. In this study, the reciprocity of the interface, interphase, and elasticity of CNTs depending on the covalent grafting between the CNT and a polyethylene terephthalate (PET)matrix were studied through molecular dynamics simulations and a mean-field micromechanical interface/interphase model. The replacement stiffness method was used to determine the effect of the tailored interface on the overall elasticity of a nanocomposite in micromechanics. The elasticity of the CNTs and the nanocomposites was determined from molecular mechanics and molecular dynamics simulations, respectively. Despite the degraded elasticity of the nanotubes, clear improvements in the transverse modulus and shear moduli were observed in the covalently grafted nanocomposites. The elasticity of the interphase was determined in terms of the number of covalent grafting and the interfacial compliance using a two-step inverse micromechanical analysis. Regardless of the number of covalent grafting addressed, the elastic moduli of the interphase were always larger than those of a neat PET matrix. Furthermore, the accuracy of the proposed multiscale micromechanical interface/interphase model at various volume fractions of CNTs was validated.
650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element CARBON NANOTUBE
650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element NANOCOMPOSITES
650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element MOLECULAR DYNAMICS SIMULATION
650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element COVALENT GRAFTING
650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element INTERPHASE
650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element INTERFACE
700 12 - ADDED ENTRY--PERSONAL NAME
Personal name Yang, S.
856 40 - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier <a href="https://drive.google.com/file/d/1hxExcpqsK9Jpnd6k7jA8MZBBiXZrXqWm/view?usp=drivesdk">https://drive.google.com/file/d/1hxExcpqsK9Jpnd6k7jA8MZBBiXZrXqWm/view?usp=drivesdk</a>
Public note Para ver el documento ingresa a Google con tu cuenta: @cicy.edu.mx
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Source of classification or shelving scheme Clasificación local
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  Clasificación local     Ref1 CICY CICY Documento préstamo interbibliotecario 25.06.2025   B-19517 25.06.2025 25.06.2025 Documentos solicitados