Understanding and modeling polymers: The challenge of multiple scales

F Schmid - ACS Polymers Au, 2022 - ACS Publications
Polymer materials are multiscale systems by definition. Already the description of a single
macromolecule involves a multitude of scales, and cooperative processes in polymer …

[HTML][HTML] Investigating fracture mechanisms in glassy polymers using coupled particle-continuum simulations

W Zhao, Y Jain, F Müller-Plathe, P Steinmann… - Journal of the …, 2024 - Elsevier
We study the fracture behavior of glassy polymers using a multiscale simulation method that
integrates a molecular dynamics (MD) system within a continuum domain. By employing a …

[HTML][HTML] Evaluating the impact of filler size and filler content on the stiffness, strength, and toughness of polymer nanocomposites using coarse-grained molecular …

F Weber, V Dötschel, P Steinmann, S Pfaller… - Engineering Fracture …, 2024 - Elsevier
Their great versatility makes polymer nanocomposites an important class of engineering
materials. In order to gain detailed insights into the nanoscale mechanisms underlying their …

Understanding the graphene-polymer interfacial mechanical behavior via coarse-grained modeling

Y Wang, W Nie, L Wang, D Zhang, K Niu… - Computational Materials …, 2023 - Elsevier
Understanding the interfacial behavior of graphene-polymer nanocomposite is a long-
standing endeavor to gain deep insight into the mechanical properties of engineered …

Effect of dynamic bond concentration on the mechanical properties of vitrimers

H Pandya, F Khabaz - Chemical Communications, 2024 - pubs.rsc.org
The presence of dynamic covalent bonds allows vitrimers to undergo topology alterations
and display self-healing properties. Herein, we study the influence of varying the …

Molecular simulations of crazes in glassy polymers under cyclic loading

T Laschuetza, T Ge, T Seelig, J Rottler - Macromolecules, 2024 - ACS Publications
We study with molecular dynamics simulations of a generic bead–spring model the cyclic
crazing behavior of glassy polymers. The aim is to elucidate the mechanical response of …

A continuum-micromechanical model for crazing in glassy polymers under cyclic loading

T Laschuetza, T Seelig - Mechanics of Materials, 2024 - Elsevier
A micromechanics-inspired constitutive model is developed to describe the deformation
behaviour of fibrillated material within crazes in glassy polymers subjected to cyclic loading …

Capillary-driven self-assembly of soft ellipsoidal microgels at the air–water interface

N Hazra, AA Rudov, J Midya, A Babenyshev… - Proceedings of the …, 2024 - pnas.org
The adsorption of ellipsoidal colloidal particles on liquid interfaces induces interfacial
deformation, resulting in anisotropic interface-mediated interactions and the formation of …

Designing Novel All-Polymer Nanocomposites with Pearl Necklace Chain Structure with High Strength, High Toughness, and Low Hysteresis

T Yue, X Zou, H Zhao, Y Chen, L Zhang, J Liu - Macromolecules, 2024 - ACS Publications
Service performance can be significantly improved by adding nanofillers into polymers.
However, entropy effects and enthalpic interactions between traditional inorganic fillers and …

Laser-induced locally controllable craze-like microstructures for polymer white structural coloration

J Feng, R Xu, J Huang, T Zhou - Materials Horizons, 2024 - pubs.rsc.org
As a promising candidate for the inkless coloring method, white structural color has
undergone widespread investigation because of its fascinating properties. Recently, various …