Carbon Nanotube Reinforced Poly‐p‐Phenylene Terephthalamide Fibers for Toughness Improvement: A Molecular Dynamics Study

Abstract

Poly-p-phenylene terephthalamide (PPTA) fibers, such as DuPont's Kevlar fiber, are widely used in various fiber-reinforced composites due to their outstanding tensile stiffness, strength, and energy absorption capacity. To further improve the strength of PPTA-based fibers, it is necessary to investigate the molecular deformation mechanisms of these fibers while being coupled with nanoreinforcements. In this work, molecular dynamics method is used to predict the mechanical performance of carbon nanotubes (CNTs) reinforced Kevlar fibers, based on the molecular modeling of crystal interfaces in the microstructure of Kevlar fiber with the help of surface-modified CNTs, the tensile strength of Kevlar fibers can be increased by 27.8-39.7%. Furthermore, the mechanism of binding stability of CNTs is investigated by modifying the functional groups of CNTs, in which the hydrogen bonds (H-bonds) interaction plays an important role.

Увеличение Экстремальных Значений Предела Прочности Органопластиков При Обработке Арамидного Волокна Многослойными Углеродными Нанотрубками

“…Изготовителями волокон ведутся интенсивные исследования, направленные прежде всего на модификацию поверхности готового волокна. В работе [1] теоретическими методами молекулярной динамики было показано, что при использовании в микроструктуре кевларового волокна функционализированных углеродных нанотрубок, прочность на разрыв его может быть увеличена на 27,8-39,7%. В работе [2] модификации микрочастицами оксида кремния подвергалась уже готовая ткань из арамидного волокна Kevlar 49.…”

Preparation and characterization of shear thickening fluid/carbon nanotubes/Kevlar composite materials

“…Carbon nanotubes (CNTs) are one of the most attractive materials arousing research interests and potential to combine with high performance fibers applied in new generation body protection as their remarkable mechanical properties, lightweight and especially the extremely high tensile strength and elongation (the tensile strength per unit mass can be 276 times than steel). [15][16][17] The theoretical tensile strength of CNTs is about 2000 GPa, 100 times that of steel but the density is only 1/6 of steel. In addition, the cylindrical bending structure of CNTs provides a condition for σ-π rehybridization, forming delocalization with π electrons after hybridization, endowing it optical, electrical, thermal, magnetic, and mechanical properties at the same time, making it the "super fibers," The association of CNTs and Kevlar fabrics can effectively offset the dynamic energy and bring electronic and intelligent applications, meeting the functional and lightweight requirements of future protective materials.…”

“…Carbon nanotubes (CNTs) are one of the most attractive materials arousing research interests and potential to combine with high performance fibers applied in new generation body protection as their remarkable mechanical properties, lightweight and especially the extremely high tensile strength and elongation (the tensile strength per unit mass can be 276 times than steel) 15–17 . The theoretical tensile strength of CNTs is about 2000 GPa, 100 times that of steel but the density is only 1/6 of steel.…”