Results 201 to 210 of about 1,970,684 (340)

Large-Scale Atomistic Simulations [Slides]

, 2021
Stan Moore, Aidan Thompson
openaire   +4 more sources

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

Methodology for the large-eddy simulation and particle image velocimetry analysis of large-scale flow structures on TCC-III engine under motored condition

, 2020
Insuk Ko, Federico Rulli, Stefano Fontanesi, Alessandro D'Adamo, Kyoungdoug Min   +4 more
openalex   +2 more sources

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

Large-Scale Parallel Stabilized Finite Element Simulation of the Drift-Diffusion Model for Semiconductor Devices.

, 2011
Paul Lin, John N. Shadid
openalex   +1 more source

Photoswitchable Conductive Metal–Organic Frameworks

Advanced Functional Materials, EarlyView.
A conductive material where the conductivity can be modulated remotely by irradiation with light is presented. It is based on films of conductive metal–organic framework type Cu3(HHTP)2 with embedded photochromic molecules such as azobenzene, diarylethene, spiropyran, and hexaarylbiimidazole in the pores.
Yidong Liu, Mersad Mostaghimi, Abhinav Chandresh, Saibal Jana, Wolfgang Wenzel, Lars Heinke   +5 more
wiley   +1 more source

Comparison of Emission Models Used for Large Scale Simulation of the Mineral Dust Cycle

, 1999
Béatrice Marticorena, G. Bergametti, Michel Legrand   +2 more
openalex   +1 more source

Dual‐Mode Film Based on Highly Scattering Nanofibers and Upcycled Chips‐Bags for Year‐Round Thermal Management

Advanced Functional Materials, EarlyView.
Intelligent radiative cooling devices, adaptable to various weather conditions, have the potential for year‐round energy savings. This study introduces a sustainable dual‐mode film made from polycaprolactone nanofibers and upcycled chip bags for effective thermal management.
Qimeng Song, Stefan Rettinger, Chengzhang Xu, Ulrich Mansfeld, Markus Retsch   +4 more
wiley   +1 more source

Experiments and simulations of large scale hydrogen-nitrogen-air gas explosions for nuclear and hydrogen safety applications

Melodía Lucas, N. Salaun, Gordon Atanga, B.J.S. Wilkins, S. Martin-Barbaz   +4 more
openalex   +1 more source

Understanding and Optimizing Li Substitution in P2‐Type Sodium Layered Oxides for Sodium‐Ion Batteries

Advanced Functional Materials, EarlyView.
This work explores Li‐substituted P2 layered oxides for Na‐ion batteries by crystallographic and electrochemical studies. The effect of lithium on superstructure orderings, on phase transitions during synthesis and electrochemical cycling and on the interplay of O‐ versus TM‐redox is revealed via various advanced techniques, including semi‐simultaneous 
Mingfeng Xu, Giovanni Gammaitoni, Michael Häfner, Eduardo Villalobos‐Portillo, Carlo Marini, Matteo Bianchini   +5 more
wiley   +1 more source