Results 181 to 190 of about 1,367,655 (261)

Air‐Pressure–Actuated Vibroacoustic Metamaterial With Tunable Bandgap: Design, Modeling, and Characterization

Advanced Engineering Materials, EarlyView.
This article presents the design, modeling, and characterization of air‐pressure–actuated programmable vibroacoustic metamaterials (PVAMM). The study focuses on leveraging air pressure to dynamically tune resonance frequencies for effective noise attenuation.
William Kaal, Michael M. Becker, Sarah C. L. Fischer   +2 more
wiley   +1 more source

Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE. [PDF]

J Chem Inf Model
Baumann HM, Horton JT, Henry MM, Travitz A, Ries B, Gowers RJ, Swenson DWH, Pulido I, Rufa D, Dotson DL, Bansal N, Bluck JP, Broughton H, Campbell KA, Cao L, Frieg B, Gapsys V, Göddeke H, Klähn M, Lakkaraju SK, Linker SM, Löhr T, Magarkar A, Pérez-Conesa S, Purkey HE, Saribekyan H, Scheen J, Schindler CEM, Steinbrecher T, Stern CD, Suriana P, Swope WC, Tresadern G, Tsidilkovski L, Wei B, Williams AH, Wu Y, Zhang I, Chodera JD, Eastwood JRB, Mobley DL, Alibay I.   +41 more
europepmc   +1 more source

Field Report from Collaborative Research Center 1625: Heterogeneous Research Data Management Using Ontology Representations

Advanced Engineering Materials, EarlyView.
A unified research data management framework for heterogeneous materials data is presented. The system integrates multimodal datasets using ontologies and knowledge graphs, enabling interoperability and FAIR (findable, accessible, interoperable, reusable) data principles. By linking data across scales and workflows, it supports reproducible, Artifitial
Doaa Mohamed, Samuel García Vázquez, Behnam Mardani, Victor Dudarev, Alfred Ludwig, Maribel Acosta, Markus Stricker   +6 more
wiley   +1 more source

Machine-Learned Electrostatic Potentials for Accurate Hydration Free Energy Calculations. [PDF]

J Chem Theory Comput
Hilfiker M, Medrano Sandonas L, Tkatchenko A, Engkvist O, Klähn M.   +4 more
europepmc   +1 more source

A Simplified Laminar Flow Model for the Pultrusion of Glass Fiber/Polyethylene Terephthalate Commingled Yarns

Advanced Engineering Materials, EarlyView.
A simplified thermoplastic pultrusion model is developed to predict thermal fields in glass fiber/polyethylene terephthalate (GF/PET) composites with reduced computational cost. By combining effective material homogenization, validation against literature data, and Gaussian‐process‐based optimization, the study reveals how heating limits, pulling speed,
Elder Soares, Nadège Bouchonneau, Christian Jochum, Donald Radford   +3 more
wiley   +1 more source

Matching Monomers to Metals: Quantified Linear Free Energy Relationships in Metal-Catalyzed Ring-Opening Polymerizations. [PDF]

J Am Chem Soc
Thorogood R, McGuire TM, Williams CK.
europepmc   +1 more source

Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization

Advanced Engineering Materials, EarlyView.
Magnetocaloric cooling (MCE) is an environmentally friendly refrigeration method with great potential. Optimizing MCE materials involves the preparation and screening of large quantities of samples, which in turn generates a large amount of data. A digitalization approach is presented that uses ontologies, knowledge graphs, and digital workflows to ...
Simon Bekemeier, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano, Basil Ell, Inga Ennen, Michael Feige, Maik Gaerner, Thomas Hilbig, Andreas Hütten, Günter Reiss, Tapas Samanta, Sonja Schöning, Christian Schröder, Lennart Schwan, Chris Taake, Martin Wortmann   +17 more
wiley   +1 more source

Functional Calmodulin States Are Selected from an Electrostatically Tuned Free Energy Landscape. [PDF]

J Chem Inf Model
Tayhan B, Horozoglu S, Atilgan AR, Atilgan C.   +3 more
europepmc   +1 more source

Density Measurement of Irradiated and Nonirradiated Zirconium Oxide by Ptychographic X‐Ray Computed Tomography (PXCT)

Advanced Engineering Materials, EarlyView.
Mass density governs the protective behavior of oxide layers on nuclear fuel cladding. Ptychographic X‐ray computed tomography measures zirconium oxide grown on Zircaloy‐4 under reactor and autoclave conditions, revealing nearly identical bulk densities of 5.1 ± 0.80 g cm−3.
Okan Yetik, Liliana I. Duarte, Malgorzata G. Makowska, Roland Brütsch, Andrej Bullemer, Ana Diaz, Mirko Holler, Andreas Menzel, Johannes Bertsch, Pavel Trtik   +9 more
wiley   +1 more source