Results 61 to 70 of about 453,956 (245)

Stacking-fault energies for Ag, Cu, and Ni from empirical tight-binding potentials

, 2002
The intrinsic stacking-fault energies and free energies for Ag, Cu, and Ni are derived from molecular-dynamics simulations using the empirical tight-binding potentials of Cleri and Rosato [Phys. Rev. B 48, 22 (1993)].
A. Girshick, D. J. Oh, F. Cleri, J. A. Zimmerman, L. J. Lewis, M. J. Mehl, M. Parrinello, P. C. J. Gallagher, P. Heino, R. Meyer, W. G. Hoover   +10 more
core   +1 more source

Bistable Mechanisms 3D Printing for Mechanically Programmable Vibration Control

Advanced Engineering Materials, EarlyView.
This work introduces a 3D‐printed bistable mechanism integrated into tuned mass dampers (TMDs) for mechanically adaptive passive vibration suppression. Through optimized geometry, the bistable design provides adaptable vibration reduction across a broad range of scenarios, achieving effective vibration mitigation without complex controls or external ...
Ali Zolfagharian, Frédéric Demoly, Mohammad Lakhi, Bernard Rolfe, Mahdi Bodaghi   +4 more
wiley   +1 more source

The Balance Effect of π–π Electronic Coupling on NIR‐II Emission and Photodynamic Properties of Highly Hydrophobic Conjugated Photosensitizers

Advanced Science
Deep NIR organic phototheranostic molecules generally have large π‐conjugation structures and show highly hydrophobic properties, thus, forming strong π–π stacking in the aqueous medium, which will affect the phototheranostic performance.
Yulin Zhu, Hanjian Lai, Ying Gu, Zixiang Wei, Lin Chen, Xue Lai, Liang Han, Pu Tan, Mingrui Pu, Fan Xiao, Feng He, Leilei Tian   +11 more
doaj   +1 more source

1-(3-Chloro-6-nitro-1H-indazol-1-yl)ethan-1-one

IUCrData, 2017
The asymmetric unit of the title compound, C9H6ClN3O3, contains one full molecule in a general position and a half molcule sitting on a crystallographic mirror plane.
Mohamed Mokhtar Mohamed Abdelahi, Youness El Bakri, Mohamed Ellouz, Mohammed Benchidmi, El Mokhtar Essassi, Joel T. Mague   +5 more
doaj   +1 more source

9,10-Bis(iodoethynyl)anthracene

IUCrData, 2023
The title compound, C18H8I2, is an ethynyl-substituted anthracene. The C—C—I bond angles deviate from 180°, being affected by intermolecular I...π interactions.
Nehemiah Antoine, Marisa James, Keenan Dungey, Colin McMillen, Jared Pienkos   +4 more
doaj   +1 more source

Dynamical Stability of Slip-stacking Particles

, 2014
We study the stability of particles in slip-stacking configuration, used to nearly double proton beam intensity at Fermilab. We introduce universal area factors to calculate the available phase space area for any set of beam parameters without individual
Eldred, Jeffrey, Zwaska, Robert
core   +2 more sources

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

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

Analyzing Electronic Excitations and Exciton Binding Energies in Y6 Films

Advanced Functional Materials, EarlyView.
The Y6 molecule is used for increasing the efficiency of organic solar cells. The exciton binding energy is calculated for ensembles of Y6 molecules that are representative of the typically used films. The calculations show that the excitons typically spread out over many molecules.
Sahar Javaid Akram, Sophie Meißner, Stephan Kümmel   +2 more
wiley   +1 more source

Coexistence of Magnetic Orders in Two-Dimensional Magnet CrI3. [PDF]

, 2019
The magnetic properties in two-dimensional van der Waals materials depend sensitively on structure. CrI3, as an example, has been recently demonstrated to exhibit distinct magnetic properties depending on the layer thickness and stacking order. Bulk CrI3
Balandin, Alexander, Cui, Yong-Tao, Francisco, Brian A, Ghosh, Subhajit, Huang, Xiong, Kargar, Fariborz, Li, Junxue, Lohmann, Mark, Niu, Ben, Shi, Jing, Su, Tang, Taniguchi, Takashi, Watanabe, Kenji, Wu, Di, Xu, Yadong   +14 more
core   +2 more sources