Physics-informed deep learning for molecular solubility prediction: integrating thermodynamic constraints with neural network architectures. [PDF]
Sci RepAmiri M.
europepmc +1 more source
Review of Thermally Activated Twisted Coiled Polymer Actuators: A Materials Science Perspective
Advanced Functional Materials, EarlyView.Thermally activated twisted and coiled polymer actuators (TCPAs) combine lightweight design, large deformation, and scalable fabrication for soft robotic and wearable applications. This review connects polymer structure, processing history, helix geometry, and thermomechanical characterization to actuator performance, highlighting current challenges in
Nadja Schenk +3 more
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Thermodynamic and Molecular Characterization of Adsorption on Zeolites: A Unified Framework Combining Inverse Gas Chromatography, Hamaker Theory, and Nonlinear Lewis Acid-Base Modeling. [PDF]
MoleculesHamieh T +7 more
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Advanced Functional Materials, EarlyView.Diagnostic analysis via the heterojunction validation funnel. The funnel illustrates the hierarchical stratification of 30 reported Type‐II systems based on the three‐phase, seven‐step diagnostic framework. Complete validation through all phases is achieved by only 3.3% of systems, while 96.7% lack full mechanistic validation, revealing a pervasive ...
Ki‐Hyun Kim
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An Enhanced CAPE-OPEN-Based Digital Twin Platform Architecture for Chemical Processes. [PDF]
ACS OmegaZhao J, Zhao W, Sun X, Xia L, Xiang S.
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Advanced Functional Materials, EarlyView.CuFeS2 is found to induce the formation of intermediate phases, highlighting a strong Cu–Fe synergistic effect during conversion reactions in lithium all‐solid‐state batteries (Li‐SSBs). The integrated reaction pathway effectively suppresses phase separation and accelerates reaction kinetics, leading to enhanced electrochemical reversibility and ...
Changjiang Bai +15 more
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Fast adaptation of physics-informed hybrid models for pneumatic artificial muscles. [PDF]
Front Robot AIWang G, Chalard R, Cifuentes J, Pham MT.
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Advanced Functional Materials, EarlyView.Ferroelectric domain variants that are energetically equivalent are expected to remain preserved during polarization reversal. However, phase‐field simulations reveal that inclined domain walls in relaxor ferroelectrics can undergo irreversible elimination during alternating current poling through a proximity effect driven by long‐range elastic ...
Yuan‐Jie Sun +2 more
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High-Pressure Inelastic Neutron Spectroscopy: Experimental Validation of Machine-Learned Interatomic Potential Energy Landscapes. [PDF]
J Phys Chem LettArmstrong J, Jackson A, Elena A.
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Advanced Functional Materials, EarlyView.Sulfur‐doped graphitized carbon nanofibers act as adaptive catalyst–support platforms, enabling dynamic sulfur‐mediated reconstruction and strong metal–support interactions. This unique behavior enhances catalyst stability and controls reaction pathways, achieving highly selective urea oxidation (∼92% N2) coupled with efficient hydrogen evolution ...
Melanie Guillén‐Soler +4 more
wiley +1 more source