[HTML][HTML] A review of computational approaches used in the modelling, design, and manufacturing of biodegradable and biobased polymers

BG Laycock, CM Chan, PJ Halley - Progress in Polymer Science, 2024 - Elsevier
The design and manufacture of new biodegradable and bioderived polymeric materials has
traditionally taken place through experimentation and material characterisation. However …

Constitutive relationship of fabric rubber composites and its application

X Xu, G Wang, H Yan, X Yao - Composite Structures, 2023 - Elsevier
Fabric rubber composites have attracted great interests among researchers because of their
high specific strength and specific modulus. Developing accurate constitutive models is still …

Machine learning discovery of high-temperature polymers

L Tao, G Chen, Y Li - Patterns, 2021 - cell.com
To formulate a machine learning (ML) model to establish the polymer's structure-property
correlation for glass transition temperature T g, we collect a diverse set of nearly 13,000 real …

Insight into enhancing foundation stability with rubber-soil mixtures: A nanofriction study

JH Wan, A Zaoui - Computers and Geotechnics, 2024 - Elsevier
Ground vibration during earthquakes can lead to loss of soil strength and structural damage.
Rubber-soil mixtures (RSM) show promise in mitigating the residual ground deformation …

Physical and mechanical properties of vulcanized and filled rubber at high strain rate

Z Yan, A Zaoui, F Zaïri - Chinese Journal of Physics, 2023 - Elsevier
The purpose of this study is to investigate-at nanoscale-cis-Polyisoprene (cis-PI), the main
component of natural rubber. This system is vulcanized by adding elemental sulfur to cis-PI …

Mechanical properties of glassy polymer nanocomposites via atomistic and continuum models: The role of interphases

H Reda, A Chazirakis, AF Behbahani, N Savva… - Computer Methods in …, 2022 - Elsevier
The mechanical properties of glassy polymer nanocomposites (PNCs) are investigated via a
new hierarchical computational methodology, which combines atomistic molecular …

Theoretical process of rubber nano-coating on calcium silicate hydrate film for durable cementitious materials

XD Zhu, A Zaoui, W Sekkal - Construction and Building Materials, 2023 - Elsevier
The lifetime of building materials is a significant challenge and is strongly related to their
surface state and impermeability. This work is dedicated to an in-depth analysis of rubber …

Specific ion and electric field controlled diverse ion distribution and electroosmotic transport in a polyelectrolyte brush grafted nanochannel

TH Pial, S Das - The Journal of Physical Chemistry B, 2022 - ACS Publications
Controlling ion distribution inside a charged nanochannel is central to using such channels
in diverse applications. Here, we show the possibility of using a charged polyelectrolyte (PE) …

An Insight into molecular structure and properties of flexible amorphous polymers: A molecular dynamics simulation approach

S Saha, AK Bhowmick - Journal of Applied Polymer Science, 2019 - Wiley Online Library
Visualization of polymer molecules by molecular dynamics simulation remains a challenging
area in molecular modeling, as it involves a number of factors like type of force field …

Overscreening, co-ion-dominated electroosmosis, and electric field strength mediated flow reversal in polyelectrolyte brush functionalized nanochannels

TH Pial, HS Sachar, PR Desai, S Das - ACS nano, 2021 - ACS Publications
Controlling the direction and strength of nanofluidic electrohydrodyanmic transport in the
presence of an externally applied electric field is extremely important in a number of …