Results 201 to 210 of about 5,612,993 (295)

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

open access: yesAdvanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai   +3 more
wiley   +1 more source

Phase‐Resolved Dual Control of Phenol Photodissociation at the Air–Water Interface From Structure‐Resolved Statistics

open access: yesAdvanced Science, EarlyView.
Faster phenol photolysis at the air–water interface arises from two cooperative factors: a more favorable initial microenvironment for solvent‐side electron stabilization, which lowers CI access, and a more labile hydrogen‐bond network, which more readily reorganizes to stabilize the dark‐state intermediate.
Qiang Yin   +8 more
wiley   +1 more source

Automating Chemical Reasoning in High‐Throughput Phase Identification With a Probabilistic, LLM‐Guided Framework

open access: yesAdvanced Science, EarlyView.
Autonomous laboratories can now synthesize materials faster than experts can interpret the resulting diffraction data. A probabilistic framework combines refinement‐fit metrics with large language model‐derived chemical reasoning to rank competing phase interpretations and flag those unsuitable for autonomous use.
Olympia Dartsi   +7 more
wiley   +1 more source

Time Resolved DNA Barcodes for Information Encoding and Dynamic Encryption

open access: yesAdvanced Science, EarlyView.
This study establishes a molecular information platform based on DNA Temporal Barcodes. Information is encoded through combinations of DNA tags with distinct retention times, while dynamic encryption is achieved through a key‐triggered DNA ligation.
Likang Chu   +7 more
wiley   +1 more source

Multiscale Coupling From Mastication to Retronasal Aroma Perception: The PG‐DTCFN Model and Multiphysics Simulation

open access: yesAdvanced Science, EarlyView.
Using grilled lamb skewers as a model system, this work builds a multiscale coupling framework from oral processing to retronasal aroma perception, reveals dual‐kinetic release patterns and Electroencephalogram‐characterized central encoding features, and proposes an interpretable physics‐guided deep learning model validated by multiphysics simulation,
Che Shen   +12 more
wiley   +1 more source

Bound Water as a Reinforcing Element for Ultra‐Strong Polyacrylamide

open access: yesAdvanced Science, EarlyView.
Rather than acting as a conventional plasticizer, bound water serves as a reinforcing element in polyacrylamide by constructing strong PAM–water–PAM hydrogen‐bond networks. This water‐mediated architecture delivers ultra‐high mechanical strength and exceptional flame resistance, redefining the role of water in polymer reinforcement.
Sirawit Pruksawan   +10 more
wiley   +1 more source

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