theoretical investigations
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2022 ◽  
Vol 5 (1) ◽  
Author(s):  
Florent Bessin ◽  
Corentin Naveau ◽  
Matteo Conforti ◽  
Alexandre Kudlinski ◽  
Pascal Szriftgiser ◽  
...  

AbstractModulation instability is one of the most ubiquitous phenomena in physics. Here we investigate the phase-sensitive properties of modulation instability with harmonic seeding in passive fiber resonators. Theoretical investigations based on the Lugiato−Lefever equation with time dependent pump and a three-wave truncation show that the dynamics of the system is sensitive to the relative phase between input signal, idler, and pump waves. The modulation instability gain can even vanish for a peculiar value of the initial relative phase. An advanced multi-heterodyne measurement technique had been developed to record the real time evolution, round-trip to round-trip, of the power and phase of the output cavity field to confirm these theoretical predictions.


Water ◽  
2022 ◽  
Vol 14 (2) ◽  
pp. 167
Author(s):  
Fabio Fanari ◽  
Matteo Bruno Lodi ◽  
Worash Getaneh ◽  
Alessandro Fanti ◽  
Francesco Desogus ◽  
...  

Several studies have shown the presence of fluoride levels much higher than the 1.5 mg/L threshold concentration recommended by WHO in the spring waters and wells of the Ethiopian Rift Valley. Available defluoridation techniques can be costly, present complicated technical aspects, and show limited effectiveness. Therefore, it is necessary to devise innovative, sustainable, and effective solutions. This study proposes an alternative method of intervention to the known techniques for removing fluoride from water, particularly suitable for smaller rural communities. In particular, in this work, the possibility to use electromagnetic fields as a physical method for removing the excess fluoride was investigated. The study was carried out by developing a multiphysics model used for studying and envisaging the design of a device. In this framework, the combination of this approach with the use of highly reactive smectite clay was numerically studied. The results obtained, although preliminary, indicate that the proposed system could significantly impoverish the waters of the Rift Valley from fluoride, with the consequence of obtaining a resource suitable for human consumption, in particular for rural communities. However, further theoretical investigations and experimental phases will be necessary to achieve the desired results.


Molecules ◽  
2022 ◽  
Vol 27 (2) ◽  
pp. 348
Author(s):  
Yuting Wu ◽  
Yanan Zhu ◽  
Zewei Zhang ◽  
Chongguang Zhao ◽  
Junpeng He ◽  
...  

Multi-resonance thermal activated delayed fluorescence (MR-TADF) has been promising with large oscillator strength and narrow full width at half maxima of luminescence, overcoming the compromise of emission intensity and energy criteria of traditional charge transfer TADF frameworks. However, there are still limited theoretical investigations on the excitation mechanism and systematic molecular manipulation of MR-TADF structures. We systematically study the highly localized excitation (LE) characteristics based on typical blue boron-nitrogen (BN) MR-TADF emitters and prove the potential triangular core with theoretical approaches. A design strategy by extending the planar π-conjugate core structure is proposed to enhance the multiple resonance effects. Moreover, several substituted groups are introduced to the designed core, achieving color-tunable functions with relatively small energy split and strong oscillator strength simultaneously. This work provides a theoretical direction for molecular design strategy and a series of potential candidates for highly efficient BN MR-TADF emitters.


2022 ◽  
Vol 34 (2) ◽  
pp. 256-262
Author(s):  
K. Jagadeesha ◽  
Y.L. Ramu ◽  
T. Shivalingaswamy ◽  
M. Ramegowda

Excited state intramolecular hydrogen transfer (ESIHT) reaction of 8-formyl-7-hydroxy-4-methyl coumarin (FC) in its pure and hydrated state FC-(H2O)4 (FCH) has been studied by implementing state specific time dependent density functional theory (SS-TDDFT) along with the effective fragment potential (EFP1) method for solvation with discrete water molecules. The intramolecular hydrogen bond formed between hydroxyl hydrogen (H18) and formyl oxygen (O15) and intermolecular hydrogen bonds formed due to microsolvation were explored. The studies of electrostatic potential, natural charge analysis, difference electron density map and UV-Vis spectra of both FC and FCH molecules establish the intramolecular charge transfer (ICT) states of the molecules. The vertical excitation from S0 to S1 state causes the transfer of hydroxyl hydrogen to formyl oxygen and from S1 to S3 causes the transfer of the hydrogen atom back to hydroxyl oxygen. Potential energy surface scans along intramolecular hydrogen bonding at the ground and excited states confirm the state specific ESIHT reaction in both FC and FCH molecules.


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