Results 41 to 50 of about 262 (196)

Machine Learning Accelerated Non‐Adiabatic Molecular Dynamics Elucidates Local Polarization Effects on Non‐radiative Recombination in Halide Perovskites

Advanced Science, EarlyView.
This work proposes and constructs the Hefei‐NAMD‐S framework based on machine learning stacked models to investigate the relationship between local polarization and non‐radiative recombination. The results indicate that, compared with A‐site local polarization, B‐site local polarization shows a more evident association with the non‐radiative ...
Bing Yang, Xiaoli Wei, Bo Cai, Yan Yang, Xinghai Zhu, Yi Liu, Junmin Xia, Lihui Liu, Kun Cao, Wei Shen, Pengfei Xia, Shufen Chen, Siyu Chen, Jin Zhao   +13 more
wiley   +1 more source

Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design

Advanced Science, EarlyView.
A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram, Mohit Chakraborty, Sai Mani Kumar Devathi, B. Pabitramohan Prusty, Rohit Batra   +4 more
wiley   +1 more source

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

Large Language Model‐Informed Dual‐Track AI Framework for the Synergistic Design of Crack‐Free and High‐Strength Superalloys

Advanced Science, EarlyView.
This paper illustrates a knowledge‐augmented dual‐track AI framework for advanced superalloy design. First, Large Language Models translate metallurgical heuristics into explicit rules to rapidly prune a vast compositional search space. Subsequently, LLM‐distilled priors safely guide a reinforcement learning agent during autonomous process optimization,
Jian Yao, Junkang Wu, Jie Su, Fuzhu Wang, Zi Wang, Li Wang, Liming Tan, Lan Huang, Feng Liu, Yong Liu   +9 more
wiley   +1 more source

Biodegradable Zn‐Based Implants: Progress, Challenges, and Pathways toward Clinical Translation

Advanced Science, EarlyView.
Exploring biodegradable Zn‐based implants offers a promising pathway to next‐generation biomedical devices with balanced degradation and biocompatibility. A comprehensive overview of biodegradable Zn‐based implants, covering their biological significance, material design principles, and advanced engineering strategies is provided.
Panfeng Zhao, Zhengquan Wang, Hui Yang, Xiyuan Zhang, Hanyuan Liu, Xiaotong Lu, Xiaocheng Li, Yanyan Liu, Xi Zhao, Wenhao Zhou, Yufeng Zheng   +10 more
wiley   +1 more source

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

Breaking the Durability–Power Trade‐Off: Boron‐Directed Faceted O3 Cathodes for High‐Rate Sodium‐Ion Batteries

Advanced Energy Materials, EarlyView.
Boron‐oxide‐assisted particle engineering stabilizes O3‐type layered cathodes for sodium‐ion batteries by mitigating phase transitions and lattice strain. Acting as flux and structural modifier, boron forms submicron hexagonal platelets with (003) facets and expanded Na‐layer spacing, enabling rapid Na⁺ diffusion and mechanical resilience.
Tengfei Song, Alexis Manche, Dongrui Xie, Bowen Liu, Chenglong Wu, Bo Dong, Reda Malakauskaite, Manoj Ovhal, David O. Scanlon, Emma Kendrick   +9 more
wiley   +1 more source

Excipient Emulsion–Based Delivery Systems for Enhancing Carotenoid Bioavailability: Advances in Formulation and Gastrointestinal Fate

AgriFood: Journal of Agricultural Products for Food, EarlyView.
Excipient emulsion systems improve carotenoid solubilization, protect against degradation, and enhance gastrointestinal absorption through optimized formulation and digestion behavior. ABSTRACT Carotenoids are bioactive compounds that contribute to human health through antioxidant, provitamin A, and disease‐preventive effects.
Tugce Ceyhan, Elifsu Nemli, Esra Capanoglu, Merve Tomas   +3 more
wiley   +1 more source

Explaining the Origin of Negative Poisson's Ratio in Amorphous Networks With Machine Learning

Advanced Intelligent Discovery, EarlyView.
This review summarizes how machine learning (ML) breaks the “vicious cycle” in designing auxetic amorphous networks. By transitioning from traditional “black‐box” optimization to an interpretable “AI‐Physics” closed‐loop paradigm, ML is shown to not only discover highly optimized structures—such as all‐convex polygon networks—but also unveil hidden ...
Shengyu Lu, Xiangying Shen
wiley   +1 more source

A sustainable business ecosystem: a case study demonstrating biochar's potential

Biofuels, Bioproducts and Biorefining, EarlyView.
Abstract The need for renewable, climate‐friendly resources has become urgent as legislators worldwide have sought to find ways to cut emissions while ensuring resource security for consumers. The use of biochar could help to achieve these goals. This study examines the current state of commercial biochar production and the maturity of the related ...
Kivijakola Juuso, Erkheikki Eemeli, Lukka Viljo, Tervonen Pekka, Harri Haapasalo   +4 more
wiley   +1 more source