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Coarse‐grained molecular dynamics reveals rejuvenation behavior in aged asphalt

Computer-Aided Civil and Infrastructure Engineering, Volume 40, Issue 28, Page 5351-5373, 28 November 2025.
Abstract To address the issue of insufficient spatiotemporal scales in all‐atom molecular dynamics (MD) simulations, this study employs coarse‐grained MD (CGMD) based on the MARTINI 3.0 force field to simulate the rejuvenation behavior of asphalt. Based on all‐atom molecular structure coarse‐grained mapping, molecular models of both virgin and aged ...
Liang He +8 more
wiley +1 more source

GIXRD Study of PM6: Y12 Films for Stretchable OPV Applications

Journal of Applied Polymer Science, Volume 142, Issue 33, September 5, 2025.
ABSTRACT Recent advancements in organic photovoltaics (OPVs) have focused on improving both efficiency and mechanical robustness, yet critical insights into the structural and mechanical properties of the materials remain underexplored, particularly in the context of intrinsically stretchable OPVs.
Lydia Abbassi +8 more
wiley +1 more source

Impact of Solvent Additives on Enhancing the Performance and Robustness of Green Solvent‐Processed Indoor Organic Solar Cells

Solar RRL, Volume 9, Issue 18, September 2025.
This study evaluates the TPD‐3F:FCC‐Cl donor–acceptor blend for indoor organic photovoltaics under industrially relevant conditions. Using non‐halogenated solvents and scalable techniques, diphenyl ether (DPE) emerges as a superior additive, enhancing film quality, reproducibility, and device stability. Structural analysis confirms favorable morphology,
Anass Khodr +10 more
wiley +1 more source

Fabrication and characterization of mesoporous yolk-shell nanocomposites as an effective reusable heterogeneous base catalyst for the synthesis of ortho-aminocarbonitrile tetrahydronaphthalenes. [PDF]