Results 41 to 50 of about 227,988 (252)

Mechanism of magnetism in stacked nanographite: Theoretical study

, 2000
Nanographite systems, where graphene sheets of the orders of the nanometer size are stacked, show novel magnetic properties, such as, spin-glass like behaviors and the change of ESR line widths in the course of gas adsorptions.
Fujita M, Fujita M, Harigaya K, Kawatsu N, Kikuo Harigaya   +4 more
core   +1 more source

A Q‐Learning Algorithm to Solve the Two‐Player Zero‐Sum Game Problem for Nonlinear Systems

International Journal of Adaptive Control and Signal Processing, Volume 39, Issue 3, Page 566-581, March 2025.
A Q‐learning algorithm to solve the two‐player zero‐sum game problem for nonlinear systems. ABSTRACT This paper deals with the two‐player zero‐sum game problem, which is a bounded L2$$ {L}_2 $$‐gain robust control problem. Finding an analytical solution to the complex Hamilton‐Jacobi‐Issacs (HJI) equation is a challenging task.
Afreen Islam, Anthony Siming Chen, Guido Herrmann   +2 more
wiley   +1 more source

Stability and magnetic properties of Fe double-layers on Ir (111)

, 2018
We investigate the interplay between the structural reconstruction and the magnetic properties of Fe doublelayers on Ir (111)-substrate using first-principles calculations based on density functional theory and mapping of the total energies on an ...
Dupé, Bertrand, Dupé, Melanie, Heinze, Stefan, Sinova, Jairo   +3 more
core   +1 more source

Development of Sustainable MgO–C Refractories Using MgO–C Recyclates and a Novel Eco‐Friendly Fructose–Tannin Binder Crosslinked With Citric Acid

Advanced Engineering Materials, EarlyView.
This study develops sustainable MgO–C refractories using recycled materials and eco‐friendly fructose–tannin binders. The enhanced performance of citric acid as a cross‐linker and functional additives on mechanical and thermomechanical properties was examined. Characterization included strength tests, immersion trials, and microstructural and inclusion
Dinesh K. Gunasekar, Jana Hubálková, Steffen Dudczig, Gert Schmidt, Florian Kerber, Thomas Schemmel, Patrick Gehre, Christos G. Aneziris   +7 more
wiley   +1 more source

1-Benzyl-3-methylquinoxalin-2(1H)-one

IUCrData, 2018
The asymmetric unit of the title compound, C16H14N2O, contains three independent molecules differing primarily in the orientations of the benzyl groups. Each independent molecule forms inversion related dimers via offset π-stacking interactions.
Youssef Ramli, Youness El Bakri, L'houssaine El Ghayati, El Mokhtar Essassi, Joel T. Mague   +4 more
doaj   +1 more source

A Quantum Chemical Deep-Dive into the π-π Interactions of 3-Methylindole and Its Halogenated Derivatives—Towards an Improved Ligand Design and Tryptophan Stacking

Pharmaceuticals, 2022
Non-covalent π-π stacking interactions often play a key role in the stability of the secondary and tertiary structures of peptides and proteins, respectively, and can be a means of ensuring the binding of ligands within protein and enzyme binding sites ...
Ruben Van Lommel, Tom Bettens, Thomas M. A. Barlow, Jolien Bertouille, Steven Ballet, Frank De Proft   +5 more
doaj   +1 more source

Stacking sequence determines Raman intensities of observed interlayer shear modes in 2D layered materials - A general bond polarizability model

, 2015
2D layered materials have recently attracted tremendous interest due to their fascinating properties and potential applications. The interlayer interactions are much weaker than the intralayer bonds, allowing the as-synthesized materials to exhibit ...
Cong, Chunxiao, Lu, Xin, Luo, Xin, Quek, Su Ying, Xiong, Qihua, Yu, Ting   +5 more
core   +1 more source

Electronic Instabilities of the AA-Honeycomb Bilayer [PDF]

, 2014
We use a functional renormalization group approach to study the instabilities due to electron-electron interactions in a bilayer honeycomb lattice model with AA stacking, as it might be relevant for layered graphene with this structure.
de la Peña, David Sánchez, Honerkamp, Carsten, Scherer, Michael M.   +2 more
core   +1 more source

Numerical Exploration of Thermal Shock Resistance in MgO–C Refractories

Advanced Engineering Materials, EarlyView.
A mesostructure‐resolved numerical framework is developed to evaluate the thermal shock resistance of MgO–C refractories. By modeling interface debonding under rapid temperature changes and introducing a modified thermal shock parameter that accounts for mesocracks, the study shows how graphite content and aggregate size influence thermal shock ...
Jishnu Vinayak Gopi, Stephan Roth, Christos G. Aneziris, Bjoern Kiefer   +3 more
wiley   +1 more source

Cooperative Ternary Assemblies Involving Anion–π/π–π/Anion–π Assemblies and Unconventional Cl⋯Cl Interactions in Cu(II) Coordination Compounds: Experimental and Theoretical Studies

Crystals, 2023
Two coordination compounds of Cu(II), namely, [Cu (phen)2Cl](NO3)·H2O (compound 1) and [Cu2(µ-Cl2)Cl2(Hdmpz)4] (compound 2), where phen = 1,10-phenanthroline and Hdmpz = 3,5-dimethylpyrazole, were synthesized at room temperature and characterized using ...
Pinku Sarma, Rosa M. Gomila, Antonio Frontera, Miquel Barcelo-Oliver, Manjit K. Bhattacharyya   +4 more
doaj   +1 more source