4.4 Article

Effect of single-vacancy- and vacancy-adsorbed-atom-defective CNTs on the mechanical and tribological properties of NBR composites: molecular dynamics simulations

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Polymer Science

Effects of a novel chitosan based macromolecule antioxidant COS-GMMP on the thermo-oxidative aging of styrene-butadiene rubber/silica composites

Pan Ding et al.

Summary: In this study, a chitosan-based macromolecule antioxidant (COS-GMMP) was synthesized and its effects on the aging behavior of SBR/silica composites were investigated. The results showed that COS-GMMP exhibited superior performance in improving the thermal-oxidative aging resistance, stability, and solvent extraction resistance of the composites compared to the low molecule antioxidant GM.

POLYMER DEGRADATION AND STABILITY (2022)

Article Polymer Science

Molecule Dynamics Simulation of the Effect of Oxidative Aging on Properties of Nitrile Rubber

Jinsong Yang et al.

Summary: The effects of oxidative aging on the molecular scale properties of nitrile rubber were studied using molecular dynamics simulation. The introduction of hydroxyl and carbonyl groups into rubber chains mimicked oxidative aging. The results showed that elevated temperature increased the mobility of rubber chains, while compressive strain resulted in packing and rearrangement of chains. The addition of hydroxyl and carbonyl groups enhanced polarity and rigidity, leading to weaker mobility. Compressive strain and oxidative aging both decreased fractional free volume, inhibiting diffusion and slowing down aging. This study provides insights into the molecular changes and their effects on rubber materials.

POLYMERS (2022)

Article Materials Science, Multidisciplinary

Tribological Behavior of Poly(tetrafluoroethylene) (PTFE) and Its Composites Reinforced by Carbon Nanotubes and Graphene Sheets: Molecular Dynamics Simulation

Qiang Xu et al.

Summary: The study reveals that poly(tetrafluoroethylene) (PTFE) composites filled with carbon nanotubes and graphene exhibit improved wear resistance, reducing wear amounts significantly. Furthermore, graphene fillers demonstrate better reinforcement than carbon nanotubes due to stronger interfacial interactions.

PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS (2022)

Article Engineering, Chemical

Preparation of Superhydrophobic/Superoleophilic nitrile rubber (NBR) nanocomposites contained silanized nano silica for efficient oil/water separation

Reza Ghamarpoor et al.

Summary: In this research, silica nanoparticles were surface modified and added to nitrile rubber to enhance its oil absorption capacity, resulting in a high-performance superhydrophobic/superoleophilic nanocomposite material. The modified nanoparticles improved the thermomechanical properties of the rubber and achieved high oil recovery efficiency even after multiple oil absorption/desorption cycles.

SEPARATION AND PURIFICATION TECHNOLOGY (2022)

Article Materials Science, Multidisciplinary

Effects of acrylonitrile content on thermal characteristics and thermal aging properties of carbon black-filled NBR composite

Young Seok Lee et al.

Summary: The study found that thermal properties and thermal aging characteristics of acrylonitrile butadiene rubber composite are enhanced with increasing acrylonitrile content. During thermal aging, the elongation at break and elastic recovery of the composite decrease, while cross-link density, hardness, and modulus increase.

JOURNAL OF ELASTOMERS AND PLASTICS (2021)

Article Materials Science, Multidisciplinary

Precisely tailoring the thermodynamic compatibility between single-walled carbon nanotubes and styrene butadiene rubber via fully atomistic molecular dynamics simulation and theoretical approach

Yanlong Luo et al.

Summary: The study found that the solubility parameters of SWCNTs change with the increase of grafting ratio, leading to different compatibility behaviors with SBR for SWCNTs with different functional groups. The Flory-Huggins model can predict the compatibility well, while each functional group has a different optimum grafting ratio for the best compatibility.

COMPUTATIONAL MATERIALS SCIENCE (2021)

Article Materials Science, Multidisciplinary

Compound influence of topological defects and heteroatomic inclusions on the mechanical properties of SWCNTs

A. Roy et al.

Summary: This article discusses the utility of carbon nanotubes as reinforcement agents in novel composite materials, focusing on the compound influence of inherent structural irregularities and foreign atom inclusions on the mechanical characteristics. The study also includes a detailed analysis on the variation in mechanical characteristics of CNTs under different spatial distributions of defects and doping.

MATERIALS TODAY COMMUNICATIONS (2021)

Review Agriculture, Multidisciplinary

Natural Polymer Eucommia Ulmoides Rubber: A Novel Material

Xingneng Wei et al.

Summary: This review discusses the extraction, structure, physicochemical properties, and modification of Eucommia ulmoides rubber (EUR), as well as its potential applications in the fields of environment, agriculture, engineering, and biomedical engineering. Insights into the challenges and perspectives of EUR are also suggested for further development.

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY (2021)

Article Materials Science, Multidisciplinary

A Study of Viscoelastic Model of Polymers in Shear Flow Based on Molecular Dynamic Simulations

Donglei Liu et al.

Summary: This study investigated the rheological properties and physical significance of an incompressible viscoelastic (inCVE) model using molecular dynamics calculations on polypropylene and polystyrene polymers. The inCVE model matched well with pseudo-plastic fluids and exhibited a three-stage rheological characteristic.

MATERIALS SCIENCE-MEDZIAGOTYRA (2021)

Article Materials Science, Composites

Defect engineering of carbon nanotubes and its effect on mechanical properties of carbon nanotubes/polymer nanocomposites: A molecular dynamics study

Hang Zhang et al.

Summary: The study found that the elastic properties of carbon nanotubes/polyethylene composites are affected by intrinsic defects, and the individual elastic properties of CNTs and the interfacial interaction between CNTs and the matrix are key factors influencing the composite material properties.

COMPOSITES COMMUNICATIONS (2021)

Article Materials Science, Multidisciplinary

Effects of carbon nanotubes functionalization on mechanical and tribological properties of nitrile rubber nanocomposites: Molecular dynamics simulations

Jianzheng Cui et al.

Summary: This research comprehensively studied the effects of different functional group types, degree of sidewall functionalization, and amido-amine modification on the mechanical and tribological properties of CNT/NBR nanocomposites through MD simulations. The findings suggest that amide-functionalized CNTs exhibit the best reinforcing efficiency due to strong dipole-dipole interactions, hydrogen bonding interactions, vdW interactions, and good interfacial compatibility with NBR matrices. The vdW force between the amide-functionalized CNTs and NBR matrices plays a significant role in determining interfacial bonding strength.

COMPUTATIONAL MATERIALS SCIENCE (2021)

Article Polymer Science

Surface-modified mesoporous silica nanorods for the highly aging resistance rubber through controlled release of antioxidant

Yang Luo et al.

Summary: This study focuses on a novel nanocarrier, surface thiol functionalized mesoporous silica nanorods, that can limit the migration of antioxidants and enhance the anti-aging performance of rubber. Encapsulating antioxidants in the pores of nanocarriers can increase the effective action time of antioxidants. This approach shows great potential in applications such as sealing rubber and conveyor belts.

POLYMERS FOR ADVANCED TECHNOLOGIES (2021)

Article Chemistry, Multidisciplinary

Enhanced Tribological Properties of Vulcanized Natural Rubber Composites by Applications of Carbon Nanotube: A Molecular Dynamics Study

Fei Teng et al.

Summary: New molecular models of carbon nanotube (CNT) reinforced vulcanized natural rubber (VNR) composites have been developed to study their enhanced tribological properties; The modulus of friction, shear modulus and Young's modulus increase with the increment of CNT content; The results provide insight into the reinforced mechanism of rubber materials at the atomic scale and can guide the design of high wear resistance rubber materials.

NANOMATERIALS (2021)

Article Nanoscience & Nanotechnology

The COMPASS force field: Validation for carbon nanoribbons

A. Savin et al.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2020)

Article Mechanics

A stress analysis method for molecular dynamics systems

J. Yang et al.

INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES (2020)

Article Multidisciplinary Sciences

The nature of small molecules adsorbed on defective carbon nanotubes

Danhui Li et al.

ROYAL SOCIETY OPEN SCIENCE (2019)

Article Physics, Condensed Matter

Electronic Properties of Aluminum Doped Carbon Nanotubes with Stone Wales Defects: Density Functional Theory

Mazen Nairat et al.

PHYSICS OF THE SOLID STATE (2019)

Proceedings Paper Multidisciplinary Sciences

A Study of the Effect of Nano Zinc Oxide on Cure Characteristics and Mechanical Properties of Rubber Composites

F. A. Hadi et al.

1ST INTERNATIONAL SCIENTIFIC CONFERENCE ON PURE SCIENCE (ISCPS2019) (2019)

Review Construction & Building Technology

State of the Art Study on Aging of Asphalt Mixtures and Use of Antioxidant Additives

Okan Sirin et al.

ADVANCES IN CIVIL ENGINEERING (2018)

Proceedings Paper Computer Science, Theory & Methods

Mechanical characterization of defective single-walled carbon nanotubes reinforced natural rubber composites

Manish Dhawan et al.

2018 4TH INTERNATIONAL CONFERENCE ON COMPUTING SCIENCES (ICCS) (2018)

Article Engineering, Mechanical

Comparative Study of Bentonite Filled Acrylonitrile Butadiene Rubber and Carbon Black Filled NBR Composites Properties

L. Muhamad Nadhli Amin et al.

INTERNATIONAL JOURNAL OF AUTOMOTIVE AND MECHANICAL ENGINEERING (2018)

Article Engineering, Environmental

Antioxidant sustained release from carbon nanotubes for preparation of highly aging resistant rubber

Ye Fu et al.

CHEMICAL ENGINEERING JOURNAL (2017)

Article Engineering, Multidisciplinary

Enhancement of tribological properties of polymer composites reinforced by functionalized graphene

Yunlong Li et al.

COMPOSITES PART B-ENGINEERING (2017)

Article Engineering, Multidisciplinary

Numerical simulation study of the elastic properties of single-walled carbon nanotubes containing vacancy defects

N. A. Sakharova et al.

COMPOSITES PART B-ENGINEERING (2016)

Article Engineering, Multidisciplinary

Molecular dynamics simulations of tribology properties of NBR (Nitrile-Butadiene Rubber)/carbon nanotube composites

Yunlong Li et al.

COMPOSITES PART B-ENGINEERING (2016)

Article Engineering, Multidisciplinary

Morphology and performance of NR/NBR/ENR ternary rubber composites

Xiuying Zhao et al.

COMPOSITES PART B-ENGINEERING (2016)

Article Chemistry, Multidisciplinary

On the Derjaguin Offset in Boundary-Lubricated Nanotribological Systems

Stefan J. Eder et al.

LANGMUIR (2013)