Investigation on creep mechanism of CF/PEEK composite material using molecular dynamics

Carbon fiber/Poly ether ether ketone (CF/PEEK) subjects to external loads during service life, high bonding quality of the interface is the key to structural integrity. In order to control the creep slippage of CF/PEEK, explaining the interfacial creep mechanism details are essential. This paper con...

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Main Authors: Wenzhao Li, Yibo Li, Minghui Huang
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Polymer Testing
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S0142941823003379
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author Wenzhao Li
Yibo Li
Minghui Huang
author_facet Wenzhao Li
Yibo Li
Minghui Huang
author_sort Wenzhao Li
collection DOAJ
description Carbon fiber/Poly ether ether ketone (CF/PEEK) subjects to external loads during service life, high bonding quality of the interface is the key to structural integrity. In order to control the creep slippage of CF/PEEK, explaining the interfacial creep mechanism details are essential. This paper constructs an intercalation model for the CF/PEEK molecular interface and uses molecular dynamics (MD) simulation to demonstrate the evolution mechanism of the interface under different load levels. To verify the effectiveness of the model, the structural morphology, glass-transition temperature, and density of the molecular model were compared with experimental measurements. In terms of interface shear creep, stage Ш creep transitioned from constant to accelerated, the creep curves and corresponding interface microstructure under different stress states were simulated by MD. At the same time, the sliding and debonding processes were explained from an energy perspective. Furthermore, a creep constitutive model was proposed to fit the molecular scale. This study comprehensively interprets the shear creep behavior of the CF/PEEK interface from simulation to constitution.
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spelling doaj.art-8315102beb0f4e018d810332af048ae42023-12-15T07:22:19ZengElsevierPolymer Testing0142-94182023-12-01129108257Investigation on creep mechanism of CF/PEEK composite material using molecular dynamicsWenzhao Li0Yibo Li1Minghui Huang2College of Mechanical and Electrical Engineering, Central South University, Changsha, Hunan, 410083, ChinaCollege of Mechanical and Electrical Engineering, Central South University, Changsha, Hunan, 410083, China; Light Alloy Research Institute, Central South University, Changsha, Hunan, 410012, China; Corresponding author. College of Mechanical and Electrical Engineering, Central South University, Changsha, Hunan, 410083, China.College of Mechanical and Electrical Engineering, Central South University, Changsha, Hunan, 410083, China; Light Alloy Research Institute, Central South University, Changsha, Hunan, 410012, ChinaCarbon fiber/Poly ether ether ketone (CF/PEEK) subjects to external loads during service life, high bonding quality of the interface is the key to structural integrity. In order to control the creep slippage of CF/PEEK, explaining the interfacial creep mechanism details are essential. This paper constructs an intercalation model for the CF/PEEK molecular interface and uses molecular dynamics (MD) simulation to demonstrate the evolution mechanism of the interface under different load levels. To verify the effectiveness of the model, the structural morphology, glass-transition temperature, and density of the molecular model were compared with experimental measurements. In terms of interface shear creep, stage Ш creep transitioned from constant to accelerated, the creep curves and corresponding interface microstructure under different stress states were simulated by MD. At the same time, the sliding and debonding processes were explained from an energy perspective. Furthermore, a creep constitutive model was proposed to fit the molecular scale. This study comprehensively interprets the shear creep behavior of the CF/PEEK interface from simulation to constitution.http://www.sciencedirect.com/science/article/pii/S0142941823003379CF/PEEK interfaceMolecular dynamicsCreep mechanism
spellingShingle Wenzhao Li
Yibo Li
Minghui Huang
Investigation on creep mechanism of CF/PEEK composite material using molecular dynamics
Polymer Testing
CF/PEEK interface
Molecular dynamics
Creep mechanism
title Investigation on creep mechanism of CF/PEEK composite material using molecular dynamics
title_full Investigation on creep mechanism of CF/PEEK composite material using molecular dynamics
title_fullStr Investigation on creep mechanism of CF/PEEK composite material using molecular dynamics
title_full_unstemmed Investigation on creep mechanism of CF/PEEK composite material using molecular dynamics
title_short Investigation on creep mechanism of CF/PEEK composite material using molecular dynamics
title_sort investigation on creep mechanism of cf peek composite material using molecular dynamics
topic CF/PEEK interface
Molecular dynamics
Creep mechanism
url http://www.sciencedirect.com/science/article/pii/S0142941823003379
work_keys_str_mv AT wenzhaoli investigationoncreepmechanismofcfpeekcompositematerialusingmoleculardynamics
AT yiboli investigationoncreepmechanismofcfpeekcompositematerialusingmoleculardynamics
AT minghuihuang investigationoncreepmechanismofcfpeekcompositematerialusingmoleculardynamics