Search results for "Meri"
showing 10 items of 7596 documents
Half-Heusler superlattices as model systems for nanostructured thermoelectrics
2015
The efficiency of thermoelectric materials is directly related to the dimensionless figure of merit , therefore, one of the means to improve ZT is to reduce the thermal conductivity. Our research focuses on half-Heusler superlattices (SLs) and the relationship between the SL period and the thermal conductivity. The cross-plane thermal conductivity of DC-sputtered TiNiSn/HfNiSn SLs was measured by the 3 method at room temperature and a clear reduction of was achieved for all SL periods, in particular for periods smaller than 20 nm. Moreover, the thermal conductivities of TiNiSn and HfNiSn single films display reduced values compared to the literature data for bulk materials. Furthermore, we …
Mathematical modelling of the feed rod shape in floating zone silicon crystal growth
2017
Abstract A three-dimensional (3D) transient multi-physical model of the feed rod melting in the floating zone (FZ) silicon single-crystal growth process is presented. Coupled temperature, electromagnetic (EM), and melt film simulations are performed for a 4 inch FZ system, and the time evolution of the open melting front is studied. The 3D model uses phase boundaries and parameters from a converged solution of a quasi-stationary axisymmetric (2D) model of the FZ system as initial conditions for the time dependent simulations. A parameter study with different feed rod rotation, crystal pull rates and widths of the inductor main slit is carried out to analyse their influence on the evolution …
On the solution of a parabolic PDE involving a gas flow through a semi-infinite porous medium
2021
Abstract Taking as start point the parabolic partial differential equation with the respective initial and boundary conditions, the present research focuses onto the flow of a sample of waste-water derived from a standard/conventional dyeing process. In terms of a highly prioritized concern, meaning environment decontamination and protection, in order to remove the dyes from the waste waters, photocatalyses like ZnO or TiO2 nanoparticles were formulated, due to their high surface energy which makes them extremely reactive and attractive. According to the basics of ideal fluid, the key point is the gas flow through an ideal porous pipe consisting of nanoparticles bound one to each other, for…
Electromagnetically induced switching of ferroelectric thin films
2007
We analyze the interaction of an electromagnetic spike (one cycle) with a thin layer of ferroelectric medium with two equilibrium states. The model is the set of Maxwell equations coupled to the undamped Landau-Khalatnikov equation, where we do not assume slowly varying envelopes. From linear-scattering theory, we show that low-amplitude pulses can be completely reflected by the medium. Large-amplitude pulses can switch the ferroelectric. Using numerical simulations and analysis, we study this switching for long and short pulses, estimate the switching times, and provide useful information for experiments.
Enhanced acoustic pressure sensors based on coherent perfect absorber-laser effect
2021
Lasing is a well-established field in optics with several applications. Yet, having lasing or huge amplification in other wave systems remains an elusive goal. Here, we utilize the concept of coherent perfect absorber-laser to realize an acoustic analog of laser with a proven amplification of more than 10 4 in terms of the scattered acoustic signal at a frequency of a few kHz. The obtained acoustic laser (or the coherent perfect absorber-laser) is shown to possess extremely high sensitivity and figure of merit with regard to ultra-small variations of the pressure (density and compressibility) and suggests its evident potential to build future acoustic pressure devices such as precise sensor…
Using of reflections for expansion of frequency tuning in a THz-band gyrotron
2017
Effect of delayed reflection on operation of a second-harmonic THz-band gyrotron is studied. Theoretical analysis, numerical calculations and experimental observations for the 0.394 THz FU CW IIB gyrotron are presented.
Gas-Phase Synthesis of the Elusive Trisilicontetrahydride Species (Si3H4)
2016
The bimolecular gas-phase reaction of ground-state atomic silicon (Si; 3P) with disilane (Si2H6; 1A1g) was explored under single-collision conditions in a crossed molecular beam machine at a collision energy of 21 kJ mol–1. Combined with electronic structure calculations, the results suggest the formation of Si3H4 isomer(s) along with molecular hydrogen via indirect scattering dynamics through Si3H6 collision complex(es) and intersystem crossing from the triplet to the singlet surface. The nonadiabatic reaction dynamics can synthesize the energetically accessible singlet Si3H4 isomers in overall exoergic reaction(s) (−93 ± 21 kJ mol–1). All reasonable reaction products are either cyclic or …
pKa at Quartz/Electrolyte Interfaces.
2016
Acidity of silanol sites at the crystalline quartz/aqueous electrolyte (NaCl, NaI, KCl) interfaces are calculated from ab initio molecular dynamics simulations. pKa’s are found to follow a combination of the cationic and anionic Hofmeister series in the order pKa(neat solution) < pKa(NaCl) < pKa(NaI) < pKa(KCl), in agreement with experimental measurements. Rationalization of this ranking is achieved in terms of the microscopic local solvation of the protonated silanols and their conjugated bases, the silanolates SiO–. The change in the pKa is the result of both water destructuring by alkali halides, as well as of the specific cation/SiO– interaction, depending on the electrolyte. M…
Heterogeneous Interactions between Gas-Phase Pyruvic Acid and Hydroxylated Silica Surfaces: A Combined Experimental and Theoretical Study
2019
The adsorption of gas-phase pyruvic acid (CH3COCOOH) on hydroxylated silica particles has been investigated at 296 K using transmission Fourier transform infrared (FTIR) spectroscopy and theoretical simulations. Under dry conditions (<1% relative humidity, RH), both the trans-cis (Tc) and trans-trans (Tt) pyruvic acid conformers are observed on the surface as well as the (hydrogen bonded) pyruvic acid dimer. The detailed surface interactions were further understood through ab initio molecular dynamics simulations. Under higher relative humidity conditions (above 10% RH), adsorbed water competes for surface adsorption sites. Adsorbed water is also observed to change the relative populations …
Time-resolved photoisomerization of 1,1′-di-tert-butylstilbene and 1,1′-dicyanostilbene
2016
Abstract Photoisomerization of 1,1′-di-tert-butylstilbene ( 3 ) and 1,1′-dicyanostilbene ( 4 ) is monitored with stationary and broadband transient absorption spectroscopy. The electron affinity of the substituents correlates with the shift of the absorption band. The weak extinction of 3 complicates data interpretation, but comparison with earlier measured 1,1′-dimethylstilbene ( 1 ) and 1,1′-diethylstilbene ( 2 ) helps to assign transient spectra and relaxation paths. For 3 a long-lived perpendicular state P is observed with lifetime τ P = 134 ps in acetonitrile. For 4 τ P = 2.1 ps in acetonitrile and 27 ps in n-hexane, the difference indicating a substantial dipole moment (∼3D) of the …