Materials design of highly branched bottlebrush polymers at the intersection of modeling, synthesis, processing, and characterization
Highly branched “bottlebrush” polymers are a class of macromolecules characterized by
side chains that are densely grafted from a backbone that is typically linear. Their unique …
side chains that are densely grafted from a backbone that is typically linear. Their unique …
Unexpected slow relaxation dynamics in pure ring polymers arise from intermolecular interactions
Ring polymers have fascinated scientists for decades, but experimental progress has been
challenging due to the presence of linear chain contaminants that fundamentally alter …
challenging due to the presence of linear chain contaminants that fundamentally alter …
[HTML][HTML] Composite entanglement topology and extensional rheology of symmetric ring-linear polymer blends
Extensive molecular simulations are applied to characterize the equilibrium dynamics,
entanglement topology, and nonlinear extensional rheology of symmetric ring-linear …
entanglement topology, and nonlinear extensional rheology of symmetric ring-linear …
To thread or not to thread? Effective potentials and threading interactions between asymmetric ring polymers
We use computer simulations to study a system of two unlinked ring polymers, whose length
and bending stiffness are systematically varied. We derive the effective potentials between …
and bending stiffness are systematically varied. We derive the effective potentials between …
Mixing linear polymers with rings and catenanes: Bulk and interfacial behavior
We derive and parameterize effective interaction potentials between a multitude of different
types of ring polymers and linear chains, varying the bending rigidity and solvent quality for …
types of ring polymers and linear chains, varying the bending rigidity and solvent quality for …
[HTML][HTML] Dynamics and rheology of ring-linear blend semidilute solutions in extensional flow: Single molecule experiments
Ring polymers exhibit unique flow properties due to their closed chain topology. Despite
recent progress, we have not yet achieved a full understanding of the nonequilibrium flow …
recent progress, we have not yet achieved a full understanding of the nonequilibrium flow …
Investigation of intrinsic characteristics of polymer blends via molecular simulation: a review
S Jeong - Korea-Australia Rheology Journal, 2023 - Springer
Computer simulation and modeling have proven to be powerful tools in the fields of
engineering and polymer science. These computational methods not only enable us to verify …
engineering and polymer science. These computational methods not only enable us to verify …
Investigating the transition between polymer melts and solutions in nonlinear elongational flow
The Doi–Edwards tube model, coupled with relaxation mechanisms, such as reptation,
contour length fluctuation, and constraint release, allows us to quantitatively predict the …
contour length fluctuation, and constraint release, allows us to quantitatively predict the …
Molecular dynamics simulation of entangled melts at high rates: identifying entanglement lockup mechanism leading to true strain hardening
In the present work, molecular dynamics simulations are carried out based on the bead‐
spring model to indicate how the entanglement lockup manifests in the late stage of fast …
spring model to indicate how the entanglement lockup manifests in the late stage of fast …
Terminal relaxation behavior of entangled linear polymers blended with ring and dumbbell-shaped polymers in melts
We investigated the terminal relaxation behavior of entangled linear polystyrene L430 (with
the entanglement number Z= M/M e≃ 24, where M is the molecular weight and M e is the …
the entanglement number Z= M/M e≃ 24, where M is the molecular weight and M e is the …