Results 161 to 170 of about 6,532,257 (294)

Interpretable Machine Learning Framework for Nb─Si Based Alloy Design with Enhanced Fracture Toughness

Advanced Science, EarlyView.
An interpretable machine learning framework integrating SHAP and PDP analysis identifies critical design descriptors from 139 physicochemical features for Nb─Si alloys. The framework achieves <7% prediction error and guides the discovery of Nb38.5Ti38.5Si3Zr18V2 alloy with 22.791 MPa·m1/2 fracture toughness, breaking the 20 MPa·m1/2 barrier.
Dezhi Chen, Chao Xu, Jingyue Yu, Qi Wang, Hongze Fang, Shuo Yin, Turab Lookman, Ruirun Chen   +7 more
wiley   +1 more source

Quasi-equilibrium Inclusion Problems of the Blum–Oettli-Type and Related Problems

, 2011
[[abstract]]The quasi-equilibrium inclusion problems of Blum–Oettli type are formulated and sufficient conditions on the existence of solutions are shown.
N.X.Tan; L. J. Lin
core  

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

Advanced 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, Yanda Zhu, Hao Peng, Manman Li, Xuzihan Zhang, Meixiao Wu, Siyuan Zhang, Yuhan Zeng, Jiwen Liao, Ming Luo, Hetaishan Huang, Yutong Wang, Sean Li, Wenxian Li   +13 more
wiley   +1 more source

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

Advanced 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, Lu Lu, Sophie Leanza, Ruike Renee Zhao   +3 more
wiley   +1 more source

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

Advanced 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, Ri He, Junxian Liu, Liangzhi Kou   +3 more
wiley   +1 more source

Mathematical Programmings with Equilibrium Constraints:The Existence of Feasible Point

, 2011
[[abstract]]This article studies three classes of optimization problems with bilevel structure including mathematical programs with equilibrium constraints (MPECs) and semi-infinite problems (SIPs).
L. J. Lin; G. Still
core  

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

Advanced 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, Jialing Shi, Jinping Zhao, Chengjun Li, Yongbo Xie, Benkun Tan, Da Wang, Ziyun Wang, Yu Mao   +8 more
wiley   +1 more source

Iterative Schemes for Mixed Quasi Equilibrium-like Problems

, 2015
[[abstract]]In this paper, we introduce a new class of equilibrium problems, known as mixed quasi invex equilibrium (equilibrium-like). This class of equilibrium problems includes invex equilibrium problems, variational inequalities and variational-like ...
Muhammad Aslam Noor
core  

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

Advanced 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, Lauren N. Walters, Amalie E. Trewartha, Steven B. Torrisi, Amanda Volk, Liam Joyce, Gerbrand Ceder, Anubhav Jain   +7 more
wiley   +1 more source

Targeted Multifunctional Fluorine‐Rich Copolymer Coating Design for Ambient‐Stable Prelithiated SiOC Anodes

Advanced Science, EarlyView.
A fluorine‐rich acrylate copolymer, poly (tridecafluorooctyl methacrylate‐co‐methyl methacrylate) (PFMMA), is introduced as a multifunctional protective coating to stabilize the prelithiated SiOC electrodes in humid conditions and preserve unimpeded interfacial ion/charge transport during redox reactions.
Rong Chen, Yixuan Fan, Congcong Zhang, Yinan Liu, Yun Zheng, Ruifeng Zheng, Yingying Shen, Pingshan Jia, Luojiang Zhang, Yongbing Tang, Huaiyu Shao   +10 more
wiley   +1 more source