Results 221 to 230 of about 696,040 (268)

Bridging Electron Density Relaxation and XPS Spectroscopy: Orbital-Resolved Trends in Core-Ionized Aum (m = 4, 10, 20) and (TiO2)n (n = 2-4) Clusters. [PDF]

J Phys Chem A
Gostyński B.
europepmc   +1 more source

Modular Critical Element Recycling Platform Using a Nanoporous Additively Manufactured Gyroid

Advanced Engineering Materials, EarlyView.
A modular recycling platform integrates 3D‐printed nanoporous gyroid structures to enable efficient critical element recovery. This system utilizes a hierarchical architecture, combining macroscopic channels with polymerization‐induced nanoscale porosity. By systematically tuning structural wall thickness and resin formulation, the platform achieves an
Xiangyu Gao, Keldy Mason, Mert Gülçür, Rachel Paddock‐Lamb, Prince Alvin Fofanah, Zachariah A. Page, Michael Cullinan   +6 more
wiley   +1 more source

Enhancing biocatalytic retrosynthesis with a graph-to-graph model. [PDF]

Chem Sci
Dong L, Yao L, Yang Y, Gao Y, Jiang Z, Wang B.   +5 more
europepmc   +1 more source

Workflow for Design of Experiments‐Based Modeling of Species Transport and Growth Kinetics in GaN Hydride Vapor Phase Epitaxy

Advanced Engineering Materials, EarlyView.
A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
J. Tomkovič, G. Lukin, H. Torkashvand, A. Kerschbaum, M. Müller, S. Besendörfer, J. Heitmann, J. Friedrich   +7 more
wiley   +1 more source

Apparatus for quantum-mixture research in microgravity. [PDF]

Nat Commun
Piest B, Böhm J, Estrampes T, Guggilam P, Pichery A, Arciszewski P, Bartosch W, Boles S, Döringshoff K, Elsen M, Hellmig O, Kürbis C, Leopoldt D, Müller G, Papakonstantinou A, Reichelt C, Wenzlawski A, Wendrich T, Charron É, Lotz C, Peters A, Sengstock K, Wicht A, Windpassinger P, Grosse J, Gaaloul N, Rasel EM.   +26 more
europepmc   +1 more source

Ontology‐Aligned Structuring and Reuse of Multimodal Materials Data and Workflows Toward Automatic Reproduction

Advanced Engineering Materials, EarlyView.
Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari, Abril Azocar Guzman, Sarath Menon, Stefan Sandfeld, Tilmann Hickel, Markus Stricker   +5 more
wiley   +1 more source

Spatial and mechanistic elucidation of distance tunable Ru dual atom catalysts for efficient CO hydrogenation to ethanol. [PDF]

Nat Commun
Zhao H, Wang Y, Gao Y, Ran J, Yang Z, Zhang H, Chen Q, Li N, Geng H.   +8 more
europepmc   +1 more source

Symmetry‐Guided Multifunctional Acoustic System Based on Mechanically Actuated Sonic Crystals

Advanced Engineering Materials, EarlyView.
This study presents the design, simulation, and experimental validation of amultifunctional acoustic metamaterial based on rotationally engineered sonic crystals.By tuning cylinder orientations, controllable band gaps and six distinct functionalities—including switching, topological insulation, beam splitting, and logic operations—areachieved ...
Yuanyan Zhao, Sriram Subramanian, Gianluca Memoli   +2 more
wiley   +1 more source

Can Graph Neural Networks Understand Chemical Elements? [PDF]

J Chem Inf Model
Kyllesbech V, Poole Iii DA, Alivanistos D, Cochez M, Mouhib H, Geerke DP.   +5 more
europepmc   +1 more source