Results 61 to 70 of about 160,416 (217)

Foundational Machine‐Learning Interatomic Potential for Simulating Chemically Complex Ni‐Based Superalloys

Advanced Engineering Materials, EarlyView.
We apply a foundational machine‐learning interatomic potential based on the graph atomic cluster expansion (GRACE) to simulate the commercial Ni‐based single‐crystal superalloy CMSX‐4. Hybrid Monte‐Carlo/molecular dynamics sampling resolves short‐range order in the γ phase and L12 sublattice occupancies in the γ’ phase and connects them to stacking ...
Aditya Vishwakarma, Sarath Menon, Fritz Körmann, Thomas Hammerschmidt, Ralf Drautz   +4 more
wiley   +1 more source

Tuning Redox Dynamics in Cu‐Based Electrocatalysts: Effect of Secondary Metals

Advanced Functional Materials, EarlyView.
Advanced analysis of operando X‐ray absorption spectroscopy data reveals that secondary metals affect the redox processes in Cu‐based catalysts for electrocatalytic CO2 reduction. This influences the amount of oxides formed under pulsed reaction conditions and the distribution of reaction products.
Martina Rüscher, Andrea Martini, Eduardo Ortega, Lichen Bai, Eric Liberra, Daniel Escalera‐López, Hyo Sang Jeon, Antonia Herzog, Clara Rettenmaier, Dorottya Hursán, David Koshy, Mariana Cecilio de Oliveira Monteiro, Timon Wagner, Leon Jacobse, Felix Haase, Arno Bergmann, Janis Timoshenko, Beatriz Roldan Cuenya   +17 more
wiley   +1 more source

High‐Throughput Digital Decoding of Vascular Heterogeneity in Patient‐Specific Tumor Microenvironments

Advanced Healthcare Materials, EarlyView.
ABSTRACT Quantitative characterization of vascular heterogeneity in complex microphysiological systems (MPS), particularly within patient‐derived tumor microenvironments, remains a major challenge for scalable disease modeling and therapeutic evaluation.
Jungseub Lee, Wooju Park, Sujin Hyung, Sangmin Jung, Kyungho Lee, Junseok Jeon, Noo Li Jeon, Jeeyun Lee, Hye Ryoun Jang, Jihoon Ko   +9 more
wiley   +1 more source

Engineering Nanoplatforms for Alzheimer's Disease Detection via Biomolecular Corona Proteomic and Lipidomic Profiling

Advanced Healthcare Materials, EarlyView.
Engineered nanoparticles capture disease‐specific biomolecular coronas that uncover hidden molecular features of Alzheimer's disease. Combined proteomic and lipidomic analyses reveal a characteristic shift in ribosomal machinery and energy metabolism, generating a multiomic fingerprint that supports accurate disease detection and opens new ...
Antonietta Greco, Roberto Baretta, Andrea Di Fonzo, Andrea Armirotti, Stefano Cinti, Mara Mirasoli, Marco Frasconi, Claudia Corbo   +7 more
wiley   +1 more source

Intelligent Orthopedics: Machine Learning in Diagnosis of Bone Disease, Implants, and Bone Health Monitoring

Advanced Healthcare Materials, EarlyView.
Efficient recovery from traumatic or degenerative diseases is a great challenge, even after all the advancements in bone and cartilage regeneration. Machine learning (ML) algorithms have presented opportunities to enhance these aspects by accurately analyzing imaging data.
Maryam Kamaei, Hesam Mohammadi, Shamim Golafshan, Mojtaba Alehosseini, Mahsa Mohammadzadeh, Atefeh Golshirazi, Nasim Golafshan, Tatiane Eufrásio‐da‐Silva, Alireza Dolatshahi‐Pirouz, Gorka Orive   +9 more
wiley   +1 more source

Artificial Intelligence‐Assisted Workflow for Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling

Advanced Materials, EarlyView.
AI‐Assisted Workflow for (Scanning) Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling. Abstract (Scanning) transmission electron microscopy ((S)TEM) has significantly advanced materials science but faces challenges in correlating precise atomic structure information with the functional properties of ...
Marc Botifoll, Ivan Pinto‐Huguet, Enzo Rotunno, Thomas Galvani, Catalina Coll, Payam Habibzadeh Kavkani, Maria Chiara Spadaro, Yann‐Michel Niquet, Martin Børstad Eriksen, Sara Martí‐Sánchez, Georgios Katsaros, Giordano Scappucci, Peter Krogstrup, Giovanni Isella, Andreu Cabot, Gonzalo Merino, Pablo Ordejón, Stephan Roche, Vincenzo Grillo, Jordi Arbiol   +19 more
wiley   +1 more source

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source

LEAD: Literature Enhanced Ab Initio Discovery of Nitride Dusting Layers for Enhanced Tunnel Magnetoresistance and Lower Resistance Magnetic Tunnel Junctions

Advanced Materials, EarlyView.
Magnetic tunnel junctions (MTJs) using MgO tunnel barriers face challenges of high resistance‐area product and low tunnel magnetoresistance (TMR). To discover alternative materials, Literature Enhanced Ab initio Discovery (LEAD) is developed. The LEAD‐predicted materials are theoretically evaluated, showing that MTJs with dusting of ScN or TiN on ...
Sabiq Islam, William S. Rogers, Chen‐Yu Hu, Ming‐Yuan Song, Xinyu Bao, Shehrin Sayed, Jean Anne C. Incorvia   +6 more
wiley   +1 more source

Topology and Material Optimization in Ultra‐Soft Magneto‐Active Structures: Making Advantage of Residual Anisotropies

Advanced Materials, EarlyView.
Residual magnetization induces pronounced mechanical anisotropy in ultra‐soft magnetorheological elastomers, shaping deformation and actuation even without external magnetic fields. This study introduces a computational‐experimental framework integrating magneto‐mechanical coupling into topology optimization for designing soft magnetic actuators with ...
Carlos Perez‐Garcia, Rogelio Ortigosa, Jesús Martínez‐Frutos, Daniel Garcia‐Gonzalez   +3 more
wiley   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source