scholarly journals Molecular library of OLED host materials—Evaluating the multiscale simulation workflow

2021 ◽  
Vol 2 (3) ◽  
pp. 031304
Author(s):  
Anirban Mondal ◽  
Leanne Paterson ◽  
Jaeyoung Cho ◽  
Kun-Han Lin ◽  
Bas van der Zee ◽  
...  
Keyword(s):  
Multiscale Simulation ◽  
Host Materials ◽  
Molecular Library

scholarly journals Downscaled Finite Element Modeling of Metal Targets for Surface Roughness Level under Pulsed Laser Irradiation

2021 ◽  
Vol 11 (3) ◽  
pp. 1253
Author(s):  
Evaggelos Kaselouris ◽  
Kyriaki Kosma ◽  
Yannis Orphanos ◽  
Alexandros Skoulakis ◽  
Ioannis Fitilis ◽  
...  
Keyword(s):  
Surface Roughness ◽  
Finite Element ◽  
Surface Acoustic Waves ◽  
Pulsed Laser ◽  
Multiscale Simulation ◽  
Experimental Methodology ◽  
Computational Domain ◽  
Area Of Interest ◽  
Depth Analysis ◽  
Laser Solid Interactions

A three-dimensional, thermal-structural finite element model, originally developed for the study of laser–solid interactions and the generation and propagation of surface acoustic waves in the macroscopic level, was downscaled for the investigation of the surface roughness influence on pulsed laser–solid interactions. The dimensions of the computational domain were reduced to include the laser-heated area of interest. The initially flat surface was progressively downscaled to model the spatial roughness profile characteristics with increasing geometrical accuracy. Since we focused on the plastic and melting regimes, where structural changes occur in the submicrometer scale, the proposed downscaling approach allowed for their accurate positioning. Additionally, the multiscale simulation results were discussed in relation to experimental findings based on white light interferometry. The combination of this multiscale modeling approach with the experimental methodology presented in this study provides a multilevel scientific tool for an in-depth analysis of the influence of heat parameters on the surface roughness of solid materials and can be further extended to various laser–solid interaction applications.

scholarly journals Pyridinyl-Carbazole Fragments Containing Host Materials for Efficient Green and Blue Phosphorescent OLEDs

Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4615
Author(s):  
Dovydas Blazevicius ◽  
Daiva Tavgeniene ◽  
Simona Sutkuviene ◽  
Ernestas Zaleckas ◽  
Ming-Ruei Jiang ◽  
...  
Keyword(s):  
Current Efficiency ◽  
Quantum Efficiency ◽  
External Quantum Efficiency ◽  
Power Efficiency ◽  
Triplet Energy ◽  
New Host ◽  
High Brightness ◽  
Light Emitting ◽  
Light Emitting Devices ◽  
Host Materials

Pyridinyl-carbazole fragments containing low molar mass compounds as host derivatives H1 and H2 were synthesized, investigated, and used for the preparation of electro-phosphorescent organic light-emitting devices (PhOLEDs). The materials demonstrated high stability against thermal decomposition with the decomposition temperatures of 361–386 °C and were suitable for the preparation of thin amorphous and homogeneous layers with very high values of glass transition temperatures of 127–139 °C. It was determined that triplet energy values of the derivatives are, correspondingly, 2.82 eV for the derivative H1 and 2.81 eV for the host H2. The new derivatives were tested as hosts of emitting layers in blue, as well as in green phosphorescent OLEDs. The blue device with 15 wt.% of the iridium(III)[bis(4,6-difluorophenyl)-pyridinato-N,C2′]picolinate (FIrpic) emitter doping ratio in host material H2 exhibited the best overall characteristics with a power efficiency of 24.9 lm/W, a current efficiency of 23.9 cd/A, and high value of 10.3% of external quantum efficiency at 100 cd/m2. The most efficient green PhOLED with 10 wt% of Ir(ppy)3 {tris(2-phenylpyridine)iridium(III)} in the H2 host showed a power efficiency of 34.1 lm/W, current efficiency of 33.9 cd/A, and a high value of 9.4% for external quantum efficiency at a high brightness of 1000 cd/m2, which is required for lighting applications. These characteristics were obtained in non-optimized PhOLEDs under an ordinary laboratory atmosphere and could be improved in the optimization process. The results demonstrate that some of the new host materials are very promising components for the development of efficient phosphorescent devices.

Catalytic Hexadecachlorophthalocyanine Cobalt-Coated Host Materials for Li–S Batteries

2021 ◽  
Author(s):  
Zhenpu Shi ◽  
Kexin Zhang ◽  
Kai Xiao ◽  
Xingxing Xing ◽  
Huifang Xu ◽  
...  
Keyword(s):  
Host Materials

scholarly journals Nonlinear multiscale simulation of instabilities due to growth of an elastic film on a microstructured substrate

2020 ◽  
Vol 90 (11) ◽  
pp. 2397-2412
Author(s):  
Iman Valizadeh ◽  
Oliver Weeger
Keyword(s):  
Deformation Gradient ◽  
Multiscale Simulation ◽  
Numerical Results ◽  
Unit Cell ◽  
Homogeneous Material ◽  
Two Phase ◽  
Biological Phenomena ◽  
Elastic Film ◽  
Living Tissues ◽  
Analytical Approaches

Abstract The objective of this contribution is the numerical investigation of growth-induced instabilities of an elastic film on a microstructured soft substrate. A nonlinear multiscale simulation framework is developed based on the FE2 method, and numerical results are compared against simplified analytical approaches, which are also derived. Living tissues like brain, skin, and airways are often bilayered structures, consisting of a growing film on a substrate. Their modeling is of particular interest in understanding biological phenomena such as brain development and dysfunction. While in similar studies the substrate is assumed as a homogeneous material, this contribution considers the heterogeneity of the substrate and studies the effect of microstructure on the instabilities of a growing film. The computational approach is based on the mechanical modeling of finite deformation growth using a multiplicative decomposition of the deformation gradient into elastic and growth parts. Within the nonlinear, concurrent multiscale finite element framework, on the macroscale a nonlinear eigenvalue analysis is utilized to capture the occurrence of instabilities and corresponding folding patterns. The microstructure of the substrate is considered within the large deformation regime, and various unit cell topologies and parameters are studied to investigate the influence of the microstructure of the substrate on the macroscopic instabilities. Furthermore, an analytical approach is developed based on Airy’s stress function and Hashin–Shtrikman bounds. The wavelengths and critical growth factors from the analytical solution are compared with numerical results. In addition, the folding patterns are examined for two-phase microstructures and the influence of the parameters of the unit cell on the folding pattern is studied.

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