Recent developments in the application of X-ray and neutron reflectivity to soft-matter systems

MWA Skoda - Current Opinion in Colloid & Interface Science, 2019 - Elsevier
Many interesting physical, chemical and biological phenomena occur at interfaces between
nanometre-scale layers of soft condensed matter. These often complex systems lend …

Molecular dynamics simulations of ion-containing polymers using generic coarse-grained models

KH Shen, M Fan, LM Hall - Macromolecules, 2021 - ACS Publications
Molecular dynamics simulations with generic bead–spring models have been instrumental
in revealing the molecular-scale behavior that underlies structure–property relationships of …

Characterizing Hygroscopic Films of Polyzwitterions in Electric Fields Using Neutron and X-ray Reflectometries: Electrostriction or Mass Loss?

P Christakopoulos, H Wang, PV Bonnesen… - … Applied Materials & …, 2024 - ACS Publications
We study responses of thermally annealed ultrathin films deposited on silicon substrates
and containing polyzwitterions to applied electric fields by using specular neutron …

Glass transition of ion-containing polymer melts in bulk and thin films

W Li, MO De La Cruz - Soft Matter, 2021 - pubs.rsc.org
Ion-containing polymers often are good glass formers, and the glass transition temperature
is an important parameter to consider for practical applications, which prescribes the …

AI for Manufacturing and Healthcare: a chemistry and engineering perspective

J Chen, Y Yuan, AK Ziabari, X Xu, H Zhang… - arXiv preprint arXiv …, 2024 - arxiv.org
Artificial Intelligence (AI) approaches are increasingly being applied to more and more
domains of Science, Engineering, Chemistry, and Industries to not only improve efficiencies …

Extraction of interaction parameters from specular neutron reflectivity in thin films of diblock copolymers: an “inverse problem”

D Eby, M Jakowski, V Lauter, M Doucet, P Ganesh… - Nanoscale, 2023 - pubs.rsc.org
Diblock copolymers have been shown to undergo microphase separation due to an
interplay of repulsive interactions between dissimilar monomers, which leads to the …

Capacitance of thin films containing polymerized ionic liquids

R Kumar, JP Mahalik, KS Silmore, Z Wojnarowska… - Science …, 2020 - science.org
Electrode-polymer interfaces dictate many of the properties of thin films such as capacitance,
the electric field experienced by polymers, and charge transport. However, structure and …

Modulating microphase separation of lamellae-forming diblock copolymers via ionic junctions

W Li, JMY Carrillo, BG Sumpter, R Kumar - ACS Macro Letters, 2020 - ACS Publications
We present a molecular dynamics simulation study investigating the phase behavior of
lamellae-forming diblock copolymers with a single ionic junction on the backbone. Our …

Learning continuous scattering length density profiles from neutron reflectivities using convolutional neural networks

B Qu, P Christakopoulos, H Wang… - Machine Learning …, 2024 - iopscience.iop.org
Interpreting neutron reflectivity (NR) data using ad hoc multi-layer models and physics-
based models provides information about spatially resolved neutron scattering length …

Effects of local order parameter dependent transport coefficient in diblock copolymers under applied electric fields

S Zhang, R Kumar - The Journal of Chemical Physics, 2022 - pubs.aip.org
We present an approach for constructing thermodynamically consistent time-dependent
models relevant to thin films of diblock copolymers in applied electric fields. The approach is …