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1.
Meccanica - In gear pair actual alternating meshing process, the comprehensive errors of the transmission system and the thermal elastic deformation of the teeth body cause the gears in the meshing... 相似文献
2.
Georgia Ivanova Nadezhda Bozova Nikolay Petkov Dr. Cunbin An Dr. Benlin Hu Monika Mutovska Konstantin Konstantinov Dr. Yulian Zagranyarski Dr. Vladimira Videva Adelina Yordanova Prof. Martin Baumgarten Prof. Anela Ivanova 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(16):e202104411
Computational modeling of the optical characteristics of organic molecules with potential for thermally activated delayed fluorescence (TADF) may assist markedly the development of more efficient emitting materials for organic light-emitting diodes. Recent theoretical studies in this area employ mostly methods from density functional theory (DFT). In order to obtain accurate predictions within this approach, the choice of a proper functional is crucial. In the current study, we focus on testing the performance of a set of DFT functionals for estimation of the excitation and emission energy and the excited singlet-triplet energy gap of three newly synthesized compounds with capacity for TADF. The emitters are designed specifically to enable charge transfer by π-electron conjugation, at the same time possessing high-energy excited triplet states. The functionals chosen for testing are from various groups ranging from gradient-corrected through global hybrids to range-separated ones. The results show that the monitored optical properties are especially sensitive to how the long-range part of the exchange energy is treated within the functional. The accurate functional should also be able to provide well balanced distribution of the π-electrons among the molecular fragments. Global hybrids with moderate (less than 0.4) share of exact exchange (B3LYP, PBE0) and the meta-GGA HSE06 are outlined as the best performing methods for the systems under study. They can predict all important optical parameters correctly, both qualitatively and quantitatively. 相似文献
3.
Nonlinear Dynamics - A trans-media aerial underwater vehicle (TMAUV) could break through the single-medium limitation with the abilities to fly in the air, navigate underwater, and cross the... 相似文献
4.
Yuliang Zhao 《中国科学:化学(英文版)》2018,61(12):1481-1482
正Living organisms have developed their unique strategies during the natural evolution for building hard tissues with minerals, including silica, calcium carbonate, calcium phosphate, and ferric oxide [1]. Such biomineralized materials generally have complex hierarchical structures with excellent mechanical properties. Although bioinspired approaches have led to the creation of well-defined synthetic structural materials ranging from micro to macro scales, the rational design of discrete biomimetic structures at the nanoscale remains a grand challenge. 相似文献
5.
JuHong Ge 《Nonlinear dynamics》2018,94(1):87-98
A five-neuron network model with multiple delays is proposed. This paper presents the combined effect of different delays on the dynamics of the proposed network. Pitchfork bifurcation is discussed in detail with the variation of the value of coupled weight or attenuation rate of internal neurons. By analyzing the corresponding characteristic equation, some stable criteria on delay-dependence and delay-independence are derived including multiple delays and coupled weights and the periodic oscillation arises bifurcated from the trivial equilibrium after the network loses its stability. Stable regions on delay-dependence are displayed in the two delayed parameter plane. It is shown that multiple delays can produce stability switching between resting state and periodic activity. Finally, theoretical results are justified by providing two illustrative examples. 相似文献
6.
It is shown that the countably infinite dimensional pointed vector space (the vector space equipped with a constant) over a finite field has infinitely many first order definable reducts. This implies that the countable homogeneous Boolean-algebra has infinitely many reducts. 相似文献
7.
8.
In this work,(-201) β-Ga_2O_3 films are grown on GaN substrate by metal organic chemical vapor deposition(MOCVD). It is revealed that the β-Ga_2O_3 film grown on GaN possesses superior crystal quality, material homogeneity and surface morphology than the results of common heteroepitaxial β-Ga_2O_3 film based on sapphire substrate. Further, the relevance between the crystal quality of epitaxial β-Ga_2O_3 film and the β-Ga_2O_3/GaN interface behavior is investigated. Transmission electron microscopy result indicates that the interface atom refactoring phenomenon is beneficial to relieve the mismatch strain and improve the crystal quality of subsequent β-Ga_2O_3 film. Moreover, the energy band structure of β-Ga_2O_3/GaN heterostructure grown by MOCVD is investigated by X-ray photoelectron spectroscopy and a large conduction band offset of 0.89 eV is obtained. The results in this work not only convincingly demonstrate the advantages of β-Ga_2O_3 films grown on GaN substrate, but also show the great application potential of MOCVD β-Ga_2O_3/GaN heterostructures in microelectronic applications. 相似文献
9.
Jihua Liu Huizhu Gan Ting Li Jia Wang Guangguang Du Yang An Xiaojing Yan Cong Geng 《Biomedical chromatography : BMC》2020,34(8):e4856
Ocotillol, pseudo-ginsenoside RT5 (RT5), and pseudo-ginsenoside F11 (PF11) are ocotillol-type saponins that have the same aglycone structure but with different numbers of glucose at the C-6 position. In this study, the metabolites of ocotillol, RT5, and PF11 in rat plasma, stomach, intestine, urine, and feces after oral administration were investigated by ultra-performance liquid chromatography coupled with time-of-flight mass spectrometry. The results showed that RT5 was easily biotransformed into metabolites in vivo, whereas PF11 and RT5 were difficult to be biotransformed. Hydrogenation, dehydrogenation, dehydration, deglycosylation, deoxygenation, hydration, phosphorylation, deoxidation, glucuronidation, and reactions combining amino acid were speculated to be involved in the biotransformation of ocotillol, RT5, and PF11. Based on the structural analysis of metabolites, it was deduced that hydrogenation, dehydration, deoxidation, and reactions combining amino acid occurred on the aglycone structure, whereas deglycosylation, hydration, and phosphorylation occurred on the glycosyl chain. Further, metabolites in plasma, urine, feces, and tissues were different: First, glucuronidation products were found in urine, stomach, intestine, and feces, but not in plasma. Second, the ocotillol prototype was not identified in urine samples. Third, the RT5 prototype was found in stomach, intestine, feces, and urine, but not in plasma. 相似文献
10.