Results 221 to 230 of about 2,903,061 (286)

Enhanced Ferroelectric Phase Formation via Local Structure Modification in the Pre‐Crystalline State of Hafnium Zirconium Oxide Thin Films

Advanced Functional Materials, EarlyView.
Hafnium zirconium oxide thin films are grown using plasma‐enhanced atomic layer deposition with the addition of an atomic layer annealing (ALA) step. ALA leads to a change in the short‐range structure of the deposit and encourages formation of the ferroelectric Pca21 phase. The result is wake‐up‐free performance with films exposed to ALA.
Nicolas K. Lam, Gerald R. Bejger, Waseem A. Wani, Kristina M. Holsgrove, Andrew N. Titus, Niyorjyoti Sharma, Shihao Wang, Keithen Orson, Megan K. Lenox, Liron Shvilberg, Yong Kyu Choi, Ian A. Brummel, Benjamin L. Aronson, Petra Reinke, Quentin Ramasse, Amit Kumar, Brian J. Rodriguez, Christina M. Rost, Jon F. Ihlefeld   +18 more
wiley   +1 more source

Physics‐Grounded Materials Artificial Intelligence for Reliable Materials Discovery

Advanced Functional Materials, EarlyView.
Physics‐Grounded Materials AI (PhysMat AI) integrates physical priors, descriptors, constraints, verification, and data infrastructure into a unified full‐stack framework, enabling reliable, interpretable, and autonomous AI‐driven materials discovery.
Yuhang Wang, Qian Wang, Seong‐Hoon Jang, Hao Li   +3 more
wiley   +1 more source

Advances in Solution‐Processed Textile Triboelectric Nanogenerators: Ink Formation, Processing Strategies, Applications, and Challenges

Advanced Functional Materials, EarlyView.
Advanced ink systems for solution‐processed textile triboelectric nanogenerators are systematically summarized, spanning conductive, tribo‐negative, and tribo‐positive layers. By connecting ink chemistry, deposition methods, and device function, the present review reveals the key governing principles of solution development and highlights practical ...
Xinlong Sun, Stephen Beeby
wiley   +1 more source

Autonomous Multi‐Objective Nanoscale Characterization of Combinatorial (Al, Sc, B)N Films Reveals Composition‐Dependent Ferroelectric Regimes

Advanced Functional Materials, EarlyView.
Autonomous scanning probe microscopy and multi‐objective Bayesian optimization navigate a ternary (Al,Sc,B)N combinatorial library. Registered photoluminescence, electron‐probe compositional mapping, and X‐ray diffraction connect local electromechanical function to defect‐sensitive emission, composition, and crystal structure.
Yu Liu, Aditya Raghavan, Utkarsh Pratiush, Ian Mercer, Pochun Hsieh, Albert Suceava, Chih‐Yu Lee, Edgar Dimitrov, Mauricio Terrones, Ichiro Takeuchi, Venkatraman Gopalan, Jon‐Paul Maria, Sergei V. Kalinin   +12 more
wiley   +1 more source

Comprehensive Approach to Atomistic Simulations of Discharging Batteries. [PDF]

J Chem Theory Comput
Tripathi P, Milner ST.
europepmc   +1 more source

MolPy: A Large Language Model-Friendly Toolkit for Reactive Topology Editing in Polymer Simulations. [PDF]

J Chem Inf Model
Li J, Schwarz F, Guo W, Sun G, Brandell D.   +4 more
europepmc   +1 more source

CondenSimAdapter: A Versatile Builder for Multiscale Simulations of Protein Condensates with Broad Force-Field Compatibility and Robust Dense-Phase Relaxation. [PDF]

J Chem Inf Model
Tian X, Han W.
europepmc   +1 more source

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Atomistic Simulations of Sarcomere Proteins

2023
Concerted atomic motions are requisite for sarcomere protein function and may become disrupted in HCM pathologies. Computational approaches such as molecular dynamics simulation can resolve such dynamics with unrivalled spatial and temporal resolution.
Matthew Carter, Childers, Michael, Regnier   +1 more
openaire   +2 more sources