Results 211 to 220 of about 12,936,285 (295)

Multiferroic‐Centric Materials and Systems Engineering for Battery Applications: An Insight Into Mechanisms, Strategies, and Characterizations

open access: yesAdvanced Science, EarlyView.
Multiferroic order parameters – polarization, magnetization, and ferroelastic strain – are positioned as dynamic design variables for batteries. Their mechanistic roles, practical tuning through fabrication and external fields, and ferroic‐resolved characterization routes are unified into a closed‐loop framework, revealing how coupled ferroic responses
Jiaqi Su   +13 more
wiley   +1 more source

Physics‐Informed Neural Network‐Enabled Forward Prediction and Inverse Design of Ring Origami

open access: yesAdvanced Science, EarlyView.
This work presents a KRT‐PINN framework that integrates Kirchhoff rod theory with physics‐informed neural networks for the forward prediction and inverse design of ring origami consisting of closed‐loop rods. The framework predicts stable states of segmented rings with prescribed natural‐curvature profiles and determines the natural‐curvature profiles ...
Luyuan Ning   +3 more
wiley   +1 more source

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

Halide Perovskite: A Rich Source of Thermal Insulator

open access: yesAdvanced Science, EarlyView.
Halide perovskites exhibit ultralow thermal conductivity driven by intrinsic lattice softness and strong anharmonicity, falling below conventional defect‐engineering limits. Weak metavalent bonding, A‐site rattling, and dynamic octahedral tilting drive phonon scattering to the Ioffe–Regel limit, where wave‐like tunneling replaces particle‐like ...
Haolin Ye   +3 more
wiley   +1 more source

Machine-Learned Force Fields for Lattice Dynamics at Coupled-Cluster Level Accuracy. [PDF]

open access: yesJ Chem Theory Comput
Schönbauer S   +4 more
europepmc   +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

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