Force-driven active dynamics of thin nanorods in unentangled polymer melts

Zhang, Siteng; Wang, Jiuling; Ge, Ting

doi:10.1039/d2sm00731b

Cited by 3 publications

(4 citation statements)

References 67 publications

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“…A nanoparticle may be simulated directly as a rigid body composed of LJ atoms arranged in a prescribed particle shape. ,− Alternatively, for spherical and ellipsoidal nanoparticles, the discretized interatomic LJ-potentials may be integrated to yield smooth force fields for both the nanoparticle–nanoparticle and nanoparticle–polymer interactions. A commonly used set of smooth force fields with the Hamaker constant as an explicit model parameter were derived by Everaers and Ejtehadi .…”

Section: Methodology In Nanoparticle–polymer Simulationsmentioning

confidence: 99%

“…Molecular simulations have been extensively used to study diverse nanoparticle–polymer systems. ,,,,− Kalathi et al have systematically performed large-scale molecular simulations of nanoparticle diffusion in linear polymer melts. They obtained the MSDs of nanoparticles and computed the diffusion coefficients D .…”

Section: Methodology In Nanoparticle–polymer Simulationsmentioning

confidence: 99%

“…(a) Molecular dynamics trajectories and (b) MSDs of force-driven thin nanorods in unentangled polymer melts at indicated active force per monomer length scale f 0 a . (c) The speed of force-driven ballistic motion v a and the friction coefficient per monomer ξ 0 a as functions of f 0 a [adapted from ref ].…”

Section: Recent Work On Nanoparticle–polymer Coupling In Various Scen...mentioning

confidence: 99%

“…(c) Schematic illustration of the active blobs in the time domain. Colors of increasing wavelength indicate the temporal sequence of the blobs [adapted from ref ].…”

Section: Recent Work On Nanoparticle–polymer Coupling In Various Scen...mentioning

confidence: 99%

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Scaling Perspective on Dynamics of Nanoparticles in Polymers: Length- and Time-Scale Dependent Nanoparticle–Polymer Coupling

2023

Macromolecules

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The motion of nanoparticles in a polymer matrix is dictated by the intricate coupling of the nanoparticles and surrounding polymers. Various length- and time-scale dependent features of nanoparticle–polymer coupling in a polymer matrix have been delineated in the past decade by combining scaling theory and molecular simulations. Representative scenarios of nanoparticle dynamics in polymers, which embody the roles of polymer matrix topology, the polymers grafted to nanoparticle surface, the anisotropic shape of nanoparticles, and an external driving force, are reviewed. The systems examined demonstrate both the richness of the physics in the nanoparticle–polymer coupling and the capability of the scaling-level description in providing unique insights into the size- and time-dependence of nanoparticle mobility. Following a review of recent work, more scenarios of nanoparticles in polymer matrices, which reflect new pieces of physics in the nanoparticle–polymer coupling, are discussed. Together with the advances in the chemical synthesis of nanoparticles and polymers as well as in the techniques of tracking nanoparticle motion and measuring nanoparticle diffusivity, the microscopic picture of nanoparticle–polymer coupling revealed theoretically and computationally is anticipated to aid in the manipulation of nanoparticles in complex polymeric environments and thus benefit many technological applications.

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Section: Methodology In Nanoparticle–polymer Simulationsmentioning

confidence: 99%

Section: Methodology In Nanoparticle–polymer Simulationsmentioning

confidence: 99%

Section: Recent Work On Nanoparticle–polymer Coupling In Various Scen...mentioning

confidence: 99%

“…(c) Schematic illustration of the active blobs in the time domain. Colors of increasing wavelength indicate the temporal sequence of the blobs [adapted from ref ].…”

Section: Recent Work On Nanoparticle–polymer Coupling In Various Scen...mentioning

confidence: 99%

See 2 more Smart Citations

Scaling Perspective on Dynamics of Nanoparticles in Polymers: Length- and Time-Scale Dependent Nanoparticle–Polymer Coupling

2023

Macromolecules

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Theoretical and Computational Perspective on Hopping Diffusion of Nanoparticles in Cross‐linked Polymer Networks

2023

Dynamics and Transport in Macromolecular Networks

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Molecular dynamics simulations of active entangled polymers reptating through a passive mesh

Tejedor

Carracedo

Ramı́rez

2023

Polymer

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Force-driven active dynamics of thin nanorods in unentangled polymer melts

Abstract: Recent advances in the functional material and biomedical applications of nanorods call for a fundamental understanding of the active motion of nanorods in a viscoelastic medium. Molecular dynamics simulations are...

Cited by 3 publications

References 67 publications

Scaling Perspective on Dynamics of Nanoparticles in Polymers: Length- and Time-Scale Dependent Nanoparticle–Polymer Coupling

Scaling Perspective on Dynamics of Nanoparticles in Polymers: Length- and Time-Scale Dependent Nanoparticle–Polymer Coupling

Theoretical and Computational Perspective on Hopping Diffusion of Nanoparticles in Cross‐linked Polymer Networks

Molecular dynamics simulations of active entangled polymers reptating through a passive mesh

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