Article
Materials Science, Multidisciplinary
Sikai Chen, Qing-Yang Feng, Dong Li, Fei Song, Xiu-Li Wang, Yu-Zhong Wang
Summary: This investigation examines the relationship between the structure and properties of surface-grafted cellulose nanofiber (CNF)-based one-component composites. Key parameters, such as graft density, graft chain length, and interface structure, were systematically adjusted. Increasing the graft density and hydrophobic modification of the CNF surface improved thermal stability. Shorter graft chain length increased the T(g) of the graft chain while hydrophobic modification and longer graft chain length decreased stiffness. Decreasing graft density remarkably enhanced toughness and strength. The interfacial interaction between CNF and grafted polymer played a crucial role in determining the composites' properties, along with graft density.
ACS APPLIED POLYMER MATERIALS
(2023)
Article
Polymer Science
Deboleena Dhara, Md Anisur Rahman, Zaid Abbas, Eric Ruzicka, Brian Benicewicz, Sanat K. Kumar
Summary: We investigated the mechanical properties of polymer nanocomposites by varying the dispersion state of nanoparticles. By performing creep measurements, we overcame the limitations of small amplitude oscillatory shear experiments and discovered the reinforcing effect and percolation loading threshold of specific nanoparticle morphology on the system.
Article
Chemistry, Physical
Sachin M. B. Gautham, Tarak K. Patra
Summary: Researchers have successfully addressed the challenge of predicting the self-assembly of nanoparticles using deep learning, achieving accurate estimation of the effective potential of mean force between grafted nanoparticles and predicting anisotropic superstructures.
Article
Chemistry, Multidisciplinary
Hamed Emamy, Francis W. Starr, Sanat K. Kumar
Summary: Strong attractions between polymer-nanoparticles can lead to the spontaneous formation of a polymer layer with distinct dynamic characteristics at the nanoparticle interface. When investigating how nanoparticle mobility affects the signature of the bound layer, it was found that for small, relatively mobile nanoparticles, the bound layer is linked to the motion of the nanoparticle, causing the relaxation signature of the bound layer to essentially disappear in the intermediate scattering function.
Article
Nanoscience & Nanotechnology
Shawn M. Maguire, Michael J. Boyle, Connor R. Bilchak, John Derek Demaree, Austin W. Keller, Nadia M. Krook, Kohji Ohno, Cherie R. Kagan, Christopher B. Murray, Patrice Rannou, Russell J. Composto
Summary: The wetting behavior of polymer-grafted nanoparticles in a polymer nanocomposite film was studied, revealing that PMMA-NPs can prevent dewetting and form columnar structures spanning two interfaces. The diffusion coefficients of PMMA-NPs were found to be significantly larger than theoretical predictions, indicating a complex interplay between wetting and phase separation in nanocomposites.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Polymer Science
Zhicheng Chang, Yafei Wang, Zhiyu Zhang, Ke Gao, Guanyi Hou, Jianxiang Shen, Liqun Zhang, Jun Liu
Summary: The study explores the impact of nanoparticle filling fraction and interaction strength between polymer chains and nanoparticles on the creep behavior of polymer nanocomposites using coarse-grained molecular dynamics simulation. Results show that increasing filler volume fraction and interaction strength enhance the creep resistance of PNCs, with the presence of single-chain bridge structures contributing to improved creep performance. Understanding these factors can provide guidelines for manipulating the creep mechanics of PNCs.
Article
Chemistry, Physical
Sebastien Issa, Fabrice Cousin, Marine Bonnevide, Didier Gigmes, Jacques Jestin, Trang N. T. Phan
Summary: In this study, different molecular weights of MPEO were grafted onto colloidal silica nanoparticles using two distinct methods, and the influence of PEO molecular weight, grafting process, and conditions on the grafting density was investigated. It was found that a dendri-graft PEO network was formed at a certain grafting density, with PEO chains anchored directly to the silica surface and grafted to silica NPs through intermediates.
Article
Polymer Science
Wei You, Wenzhi Cui, Wei Yu
Summary: This study conducted experiments on silica nanoparticles with different surface modifications to understand their effects on the moduli of polymer nanocomposites. It was found that the interfacial layer volume fraction in PNCs showed a non-monotone variation with increasing particle concentrations. Additionally, the effective interfacial thickness was determined using hydrodynamic enhancement of the rubbery plateau modulus.
Article
Nanoscience & Nanotechnology
Shawn M. Maguire, J. Brandon McClimon, Aria C. Zhang, Austin W. Keller, Connor R. Bilchak, Kohji Ohno, Robert W. Carpick, Russell J. Composto
Summary: By balancing the surface enrichment, phase separation, and wetting in poly(methyl methacrylate)-grafted silica nanoparticles (PMMA-NP) and poly(styrene-ran-acrylonitrile) (SAN) model system, unique polymer nano-composite (PNC) morphologies are generated. These self-regulated structures lead to nanocomposites with enhanced properties compared to analogous PMMA/SAN blends, and have various technological applications such as wettability, toughness, and wear resistance. Additionally, these morphologies have broader applications including structural color, tuning optical adsorption, and barrier coatings.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Polymer Science
Kourosh Hasheminejad, Abbas Montazeri, Hooman Hasheminejad
Summary: By conducting pull-off tests using molecular dynamics simulations, the adhesion characteristics of poly(L-lactic acid)/graphene samples with different grafting densities were studied. The results indicate an optimum coverage ratio beyond which interfacial interactions would be disrupted. Additionally, designing composite systems with different architectures revealed the most effective molecular morphology for enhancing adhesion.
EUROPEAN POLYMER JOURNAL
(2021)
Review
Materials Science, Multidisciplinary
Sourabh Kumar Soni, Benedict Thomas, Shweta B. Thomas, Prashant Suresh Tile, Sanjay G. Sakharwade
Summary: This article reviews the recent research progress in polymer/fiber/CNT composites and hybrid composites, with a focus on the thermo-mechanical, thermal, mechanical, vibrational, and impact response characteristics of CNT-reinforced composites. The mechanical properties of CNT-reinforced nanocomposites reported in earlier literature are also summarized.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Polymer Science
Emmanuel N. Skountzos, Katerina S. Karadima, Vlasis G. Mavrantzas
Summary: The study investigates the impact of adsorbed domains and nanoparticle bridging chains on the properties of attractive polymer nanocomposite melts through MD simulations. The presence of adsorbed polymer significantly affects the dynamic and conformational properties of the nanocomposite, especially under conditions favoring higher surface-to-volume ratios. Moreover, the bridging chains drive the formation of a nanoparticle network which becomes denser and stronger with increasing concentration of the polymer matrix in nanoparticles.
Article
Chemistry, Physical
Yilong Zhou, Sigbjorn Loland Bore, Andrea R. Tao, Francesco Paesani, Gaurav Arya
Summary: This article introduces a machine-learning approach to develop a many-body potential for describing effective interactions between spherical polymer-grafted nanoparticles in a polymer matrix. The potential significantly reduces computational cost and enables simulation of various assembly behaviors.
NPJ COMPUTATIONAL MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Saeideh Hojatzadeh, Esmail Sharifzadeh, Farshad Rahimpour
Summary: A multi-stage model was proposed to predict the creep behavior of semi-crystalline polymer nano-composites, taking into account the impact of nanoparticle aggregation/agglomeration, polymer/particle interphase region, and self/induced crystallization phenomenon. The model involved a specific equivalent box model (EBM) to evaluate the roles of dispersed or aggregated/agglomerated nanoparticle domains, an analytical model to study the characteristics of the polymer/particle interphase, and a standard linear viscoelastic (SLV) model to examine the time-dependent creep behavior. Experimental tests were conducted to verify the theoretical results, showing that increasing nanoparticle content and polymer/particle compatibility enhances the resistance against time-dependent creep.
MECHANICS OF MATERIALS
(2023)
Article
Chemistry, Physical
Weize Jin, Tao Zhou, Zhaolei Wang, Wenwen Xue, Chun Feng, Fang Zhang, Xiaoyu Huang, Dong Yang, Patrick Theato, Yongjun Li
Summary: Covalently grafting redox-active polymers to graphene can enhance energy storage performance in Li-ion/Na-ion batteries, with the optimized composite showing excellent capacity, cycling and rate stability due to reduced solubility and improved conductivity. This approach provides a promising strategy for developing high-performance organic cathode materials.
JOURNAL OF POWER SOURCES
(2021)