Computational approaches for organic semiconductors: from chemical and physical understanding to predicting new materials
While a complete understanding of organic semiconductor (OSC) design principles remains
elusive, computational methods─ ranging from techniques based in classical and quantum …
elusive, computational methods─ ranging from techniques based in classical and quantum …
Mechanical properties of organic semiconductors for stretchable, highly flexible, and mechanically robust electronics
Mechanical deformability underpins many of the advantages of organic semiconductors. The
mechanical properties of these materials are, however, diverse, and the molecular …
mechanical properties of these materials are, however, diverse, and the molecular …
The Z1+ package: Shortest multiple disconnected path for the analysis of entanglements in macromolecular systems
This paper describes and provides Z1+, the successor of the Z-and Z1-codes for topological
analyses of mono-and polydisperse entangled linear polymeric systems, in the presence or …
analyses of mono-and polydisperse entangled linear polymeric systems, in the presence or …
Comparison of methods for determining the mechanical properties of semiconducting polymer films for stretchable electronics
This paper describes a comparison of two characterization techniques for determining the
mechanical properties of thin-film organic semiconductors for applications in soft electronics …
mechanical properties of thin-film organic semiconductors for applications in soft electronics …
Challenges in multiscale modeling of polymer dynamics
The mechanical and physical properties of polymeric materials originate from the interplay of
phenomena at different spatial and temporal scales. As such, it is necessary to adopt …
phenomena at different spatial and temporal scales. As such, it is necessary to adopt …
Rheology of ring polymer melts: From linear contaminants to ring-linear blends
Ring polymers remain a challenge to our understanding of polymer dynamics. Experiments
are difficult to interpret because of the uncertainty in the purity and dispersity of the sample …
are difficult to interpret because of the uncertainty in the purity and dispersity of the sample …
Load-bearing entanglements in polymer glasses
Through a combined approach of experiment and simulation, this study quantifies the role of
entanglements in determining the mechanical properties of glassy polymer blends. Uniaxial …
entanglements in determining the mechanical properties of glassy polymer blends. Uniaxial …
Novel molecular-level insight into the self-healing behavior and mechanism of polyurethane-urea elastomer based on a noncovalent strategy
J Chen, C Li, H Jia, Z Shen, R Zhao, T Su… - …, 2022 - ACS Publications
A larger number of studies successfully prepared various polymer materials with excellent
self-healing properties, but the study on the underlying self-healing mechanism remains …
self-healing properties, but the study on the underlying self-healing mechanism remains …
Onsager transport coefficients and transference numbers in polyelectrolyte solutions and polymerized ionic liquids
Electrolytes featuring negatively charged polymers, such as nonaqueous polyelectrolyte
solutions and polymerized ionic liquids, are currently under investigation as potential high …
solutions and polymerized ionic liquids, are currently under investigation as potential high …
Modeling of polymer structure and conformations in polymer nanocomposites from atomistic to mesoscale: A Review
Over the past two decades polymer nanocomposites have received tremendous interest
from industry and academia due to their advanced properties comparative to polymer …
from industry and academia due to their advanced properties comparative to polymer …