Results 131 to 140 of about 30,422 (298)

Quasicrystalline spin foam with matter: definitions and examples

Academia Quantum
In this work, we define quasicrystalline spin networks as a subspace within the standard Hilbert space of loop quantum gravity, effectively constraining the states to coherent states that align with quasicrystal geometry structures.
Marcelo Maciel Amaral, Richard Clawson, Klee Irwin   +2 more
doaj   +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

Molecular Dynamics Studies of Shape Memory Polymers: From Bead–Spring Models to Atomistic Simulations

Advanced Engineering Materials, EarlyView.
Coarse‐grained (left) and atomistic (right) models of the shape memory polymer ESTANE ETE 75DT3 are shown schematically. The two representations bridge molecular detail and mesoscopic description. Both models capture shape memory behavior, linking segmental mobility and conformational relaxation of anisotropic chains to macroscopic recovery, and ...
Fathollah Varnik
wiley   +1 more source

Theoretical studies of EPR parameters of spin-labels incomplex environments [PDF]

, 2013
This thesis encloses quantum chemical calculations performed in the framework of density functional response theory for evaluating electron paramagnetic resonance (EPR) spin Hamiltonian parameters of various spin-labels in different environments.
Frecus, Bogdan
core  

Improvement of the spin‐labelling technique by the use of a radioactive spin label [PDF]

FEBS Letters, 1973
openaire   +2 more sources

A Spin-Labeled Derivative of Gossypol

Molecules
Gossypol and its derivatives arouse interest due to their broad spectrum of biological activities. Despite its wide potential application, there is no reported example of gossypol derivatives bearing stable radical functional groups. The first gossypol nitroxide hybrid compound was prepared here via formation of a Schiff base.
Andrey V. Stepanov, Vladimir N. Yarovenko, Darina I. Nasyrova, Lyubov G. Dezhenkova, Igor O. Akchurin, Mickhail M. Krayushkin, Valentina V. Ilyushenkova, Andrey E. Shchekotikhin, Evgeny V. Tretyakov   +8 more
openaire   +3 more sources

Experimental and Numerical Modal Analysis of Composite Sandwich Structures Using Surfboards as Model Systems

Advanced Engineering Materials, EarlyView.
This article presents an experimental and numerical modal investigation of composite sandwich structures using surfboards as model systems. By comparing different core materials and reinforcement strategies, the study demonstrates how local stiffeners influence vibrational response and introduce characteristic modal features, highlighting modal ...
Brett Connellan, Luca Lomazzi, Mathis Mercier, Kara Stark, Marc in het Panhuis   +4 more
wiley   +1 more source

New AI‐Assisted Approach for Expanding the Solution Space: Application to Lattice Structure Design

Advanced Engineering Materials, EarlyView.
This work introduces an innovative framework for designing structured materials by ex panding the design space through reparameterization of qualitative variables into continuous structural descriptors. Combined with machine‐learning‐based prediction and multi‐objective optimization, the approach enables the discovery of novel lattice architectures ...
G. H. Gahimbare, Y. Beideler, D. Chune, R. De Guio, T. Roland, H. Chibane   +5 more
wiley   +1 more source

Multilayer Self‐Limiting Electrospray Deposition via Stepped Voltage Bias

Advanced Engineering Materials, EarlyView.
Self‐limiting electrospray deposition (SLED) uses a high voltage to generate and deposit a charged payload on a target surface. The coating retains its charge, repelling newly arriving material. SLED thickness can be decreased by applying a secondary bias to the target.
Madhuri Deb, S. Rahman Pejman, Alexander Jakimowicz, Jonathan P. Singer   +3 more
wiley   +1 more source

Control of Polarization and Polar Helicity in BiFeO3 by Epitaxial Strain and Interfacial Chemistry

Advanced Functional Materials, EarlyView.
In BiFeO3 thin films, the interplay of interfacial chemistry, electrostatics, and epitaxial strain is engineered to stabilize homohelicity in polarization textures at the domain scale. The synergistic use of a Bi2O2‐terminated Aurivillius buffer layer and a highly anisotropic compressive epitaxial strain offers new routes to control the polar‐texture ...
Elzbieta Gradauskaite, Lilia Huynh, Natascha Gray, Quintin N. Meier, Marta D. Rossell, Morgan Trassin   +5 more
wiley   +1 more source