Results 101 to 110 of about 5,233 (267)

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

3D‐Printed Magnetoelectronics for Interactive Appliances and Self‐Aware 4D‐Printed Mechatronics

Advanced Science, EarlyView.
3D‐printed magnetoelectronics integrate high‐performance magnetic field sensing directly into complex structural components. Flexible spring and cross‐shaped sensors exhibit giant magnetoimpedance and 3D Hall sensing for vector field reconstruction. Applications include smart‐home switches, robotic joysticks, volumetric magnetometers, and self‐aware 4D‐
Eduardo Sergio Oliveros‐Mata, Anna Martin Vilardell, Fabian Ganss, Christoph Leyens, Lukas Stepien, Denys Makarov   +5 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

Enhanced Mechanical Properties Via Boron‐Induced Multi‐Mechanism Strengthening in (NbTaTi1.5V)100‐xBx Refractory High Entropy Alloys

Advanced Science, EarlyView.
A trace amount of boron is introduced into NbTaTi1.5V RHEA, forming a finegrained BCC+TiO+TiB microstructure. The TiB phase generates numerous dislocations, strengthening the alloy. The alloy exhibits 3610 MPa compressive fracture strength and 1060 HV microhardness, while retaining 14.8% fracture strain.
Da Wu, Bo Li, Yuzhi Shi, Cong Li, Eryong Liu, Xiaohu Hou, Yimin Gao, Tao Wu, Pucun Bai, Chenyu Liang   +9 more
wiley   +1 more source

Synthesis and Characterization of Jellified Composites from Bovine Bone-Derived Hydroxyapatite and Starch as Precursors for Robocasting

ACS Omega, 2018
Florin Miculescu, Andreea Maidaniuc, Marian Miculescu, Nicolae Dan Batalu, Robert Cătălin Ciocoiu, Ştefan Ioan Voicu, George E. Stan, Vijay Kumar Thakur   +7 more
doaj   +1 more source

A Closed‐Loop Framework for Inverse Design: Dynamic Training and Intelligent Optimization for Heterostructured Materials

Advanced Science, EarlyView.
To accelerate the inverse design of heterostructured metal matrix composites, a closed‐loop scientific machine learning framework integrates continual learning prediction with NSGA‐II‐PMCP optimization. The framework maps microstructural descriptors to strength, toughness, and modulus, expands high‐quality Pareto solutions, and guides experimentally ...
Zhiyan Zhong, Xueru Zheng, Xiao Zhou, Zhengheng Tao, Wan Han, Jingyi Pan, Dian Wu, Ning Gao, Lei Liu, Zhongyang Wang, Fanchao Meng, Tongxiang Fan   +11 more
wiley   +1 more source

Cation Diffusion‐Mediated Displaced Reaction‐Transformation in Green Steelmaking

Advanced Science, EarlyView.
The removal of O lattice atoms by environmental H2 at the surface of Fe3O4 results in Fe enrichment, driving the inward diffusion of Fe cations into the bulk. Through hopping between unoccupied and initially occupied sites, cation diffusion triggers a spatially displaced reaction‐transformation and drives subsequent dynamic phase transformations and ...
Guangyi Guo, Paul Paciok, Baptiste Bienvenu, Longqi Bai, Barak Ratzker, Marc Heggen, Xuyang Zhou, Dierk Raabe   +7 more
wiley   +1 more source

A Molten Salt Extraction Method for Palladium Recovery via the CaPd2 Intermetallic Compound

Advanced Science, EarlyView.
A designed Ca → CaPd2 → Pd pathway enables acid–free palladium recovery in molten salt. Calcium alloying forms anionic CaPd2, which is selectively oxidized by iodine from CaI2 to yield high–purity metallic Pd. ABSTRACT To address palladium scarcity and the low efficiency of conventional recovery processes, this work presents a molten–salt extraction ...
Jiapeng Zhang, Dengjie Yan, Muwen Chen, Baoqiang Xu, Bin Yang, Bingyi Song, Lingxin Kong   +6 more
wiley   +1 more source