Strain-induced multiscale structural evolutions of crystallized polymers: From fundamental studies to recent progresses

S Xu, J Zhou, P Pan - Progress in Polymer Science, 2023 - Elsevier
Semicrystalline polymers products usually adopt a crystallized form in their end-use
environment. These crystallized polymers undergo various deformations under different …

Model Amphiphilic Polymer Conetworks in the Bulk: Dissipative Particle Dynamics Simulations of Their Self-Assembly and Mechanical Properties

DG Tsalikis, M Ciobanu, CS Patrickios… - Macromolecules, 2023 - ACS Publications
Dissipative particle dynamics (DPD) simulations were performed on bulk melts of model
amphiphilic polymer conetworks (APCN), a relatively new macromolecular architecture …

Fracture processes of crystalline polymers using coarse-grained molecular dynamics simulations

Y Higuchi - Polymer Journal, 2018 - nature.com
Molecular simulations are powerful tools for revealing the properties of polymers at the
molecular level. In particular, coarse-grained molecular dynamics simulations are useful for …

Molecular dynamics simulations of short-chain branched bimodal polyethylene: Topological characteristics and mechanical behavior

A Moyassari, T Gkourmpis, MS Hedenqvist… - …, 2019 - ACS Publications
It has previously been shown that polyethylene (PE) with a bimodal molar mass distribution
has a high fracture toughness. Our approach has been to use coarse-grained (CG) …

[HTML][HTML] Molecular dynamics simulation of linear polyethylene blends: Effect of molar mass bimodality on topological characteristics and mechanical behavior

A Moyassari, T Gkourmpis, MS Hedenqvist, UW Gedde - Polymer, 2019 - Elsevier
Blending different molar mass fractions of polyethylene (PE) in order to obtain materials with
higher fracture toughness has previously proven beneficial. Our approach has been to use …

Ordering and crystallization of entangled polyethylene melts under uniaxial tension: A molecular dynamics study

YR Sliozberg, IC Yeh, M Kröger, KA Masser… - …, 2018 - ACS Publications
Morphological and mechanical properties of semicrystalline polymers are strongly
influenced by flow-induced crystallization during processing. We perform extensive …

Molecular simulations of controlled polymer crystallization in polyethylene

WS Fall, J Baschnagel, O Benzerara, O Lhost… - ACS Macro …, 2023 - ACS Publications
Multilamella polymer crystals are grown from the melt for the first time, in molecular
dynamics simulations of a united-monomer model, with in excess of 1500000 united …

Disentangling and lamellar thickening of linear polymers during crystallization: Simulation of bimodal and unimodal molecular weight distribution systems

Z Zhai, C Fusco, J Morthomas, M Perez, O Lame - ACS nano, 2019 - ACS Publications
We have performed coarse-grained molecular dynamics simulations to study the isothermal
crystallization of bimodal and unimodal molecular weight distribution (MWD) polymers with …

Critical strains for lamellae deformation and cavitation during uniaxial stretching of annealed isotactic polypropylene

B Chang, K Schneider, F Xiang, R Vogel, S Roth… - …, 2018 - ACS Publications
The lamellae deformation and cavitation behavior of annealed isotactic polypropylene
during uniaxial stretching are comprehensively investigated by in situ synchrotron small …

Crystallization and Performance of Polyamide Blends Comprising Polyamide 4, Polyamide 6, and Their Copolymers

Y Zhang, M Wang, D Zhang, Y Wang, L Wang, Y Qiu… - Polymers, 2023 - mdpi.com
Polyamide 4 (PA4) is a biobased and biodegradable polyamide. The high hydrogen bond
density of PA4 bestows it with a high melting point that is close to its thermal decomposition …