scholarly journals Photoinduced Ultrafast Electronic Dynamics in Polyatomic Molecules: A time-dependent computational study

2015 ◽  
Vol 635 (11) ◽  
pp. 112066 ◽  
Author(s):  
Astrid Nikodem ◽  
Françoise Remacle
Author(s):  
Ralf E. Walraevens ◽  
Heinz E. Gallus ◽  
Alexander R. Jung ◽  
Jürgen F. Mayer ◽  
Heinz Stetter

A study of the unsteady flow in an axial flow turbine stage with a second stator blade row is presented. The low aspect ratio blades give way to a highly three-dimensional flow which is dominated by secondary flow structures. Detailed steady and unsteady measurements throughout the machine and unsteady flow simulations which include all blade rows have been carried out. The presented results focus on the second stator flow. Secondary flow structures and their origins are identified and tracked on their way through the passage. The results of the time-dependent secondary velocity vectors as well as flow angles and Mach number distributions as perturbation from the time-mean flow field are shown in cross-flow sections and azimuthal cuts throughout the domain of the second stator. At each location the experimental and numerical results are compared and discussed. A good overall agreement in the time-dependent flow behaviour as well as in the secondary flow structures is stated.


2019 ◽  
Vol 10 (3) ◽  
pp. 561 ◽  
Author(s):  
Suci Madhania ◽  
Tantular Nurtono ◽  
Sugeng Winardi ◽  
Yuswan Muharam ◽  
Widodo Wahyu Purwanto

Molecules ◽  
2021 ◽  
Vol 26 (16) ◽  
pp. 5106
Author(s):  
Taj Muhammad Khan ◽  
Shahab Ud-Din Khan ◽  
Muhammad Raffi ◽  
Riaz Khan

In this study, time-dependent, one-dimensional modeling of a surface dielectric barrier discharge (SDBD) device, driven by a sinusoidal voltage of amplitude 1–3 kV at 20 kHz, in argon is described. An SDBD device with two Cu-stripe electrodes, covered by the quartz dielectric and with the discharge gap of 20 × 10−3 m, was assumed, and the time-dependent, one-dimensional discharge parameters were simulated versus time across the plasma gap. The plasma device simulated in the given arrangement was constructed and used for biocompatible antibacterial/antimicrobial coating of plasmonic particle aerosol and compared with the coating strategy of the DBD plasma jet. Simulation results showed discharge consists of an electrical breakdown, occurring in each half-cycle of the AC voltage with an electron density of 1.4 × 1010 cm−3 and electric field strength of 4.5 × 105 Vm−1. With SDBD, the surface coating comprises spatially distributed particles of mean size 29 (11) nm, while with argon plasma jet, the nanoparticles are aggregated in clusters that are three times larger in size. Both coatings are crystalline and exhibit plasmonic features in the visible spectral region. It is expected that the particle aerosols are collected under the ionic wind, induced by the plasma electric fields, and it is assumed that this follows the dominant charging mechanisms of ions diffusion. The cold plasma strategy is appealing in a sense; it opens new venues at the nanoscale to deal with biomedical and surgical devices in a flexible processing environment.


2020 ◽  
Vol 22 (3) ◽  
pp. 1611-1623
Author(s):  
Mattia Migliore ◽  
Andrea Bonvicini ◽  
Vincent Tognetti ◽  
Laure Guilhaudis ◽  
Marc Baaden ◽  
...  

TDDFT coupled with molecular dynamics simulations are used for β-turn characterization by ECD spectroscopy.


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