Search results for: magnetic photonic crystal
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1998

Search results for: magnetic photonic crystal

1308 Pyridine-N-oxide Based AIE-active Triazoles: Synthesis, Morphology and Photophysical Properties

Authors: Luminita Marin, Dalila Belei, Carmen Dumea

Abstract:

Aggregation induced emission (AIE) is an intriguing optical phenomenon recently evidenced by Tang and his co-workers, for which aggregation works constructively in the improving of light emission. The AIE challenging phenomenon is quite opposite to the notorious aggregation caused quenching (ACQ) of light emission in the condensed phase, and comes in line with requirements of photonic and optoelectronic devices which need solid state emissive substrates. This paper reports a series of ten new aggregation induced emission (AIE) low molecular weight compounds based on triazole and pyridine-N-oxide heterocyclic units bonded by short flexible chains, obtained by a „click” chemistry reaction. The compounds present extremely weak luminescence in solution but strong light emission in solid state. To distinguish the influence of the crystallinity degree on the emission efficiency, the photophysical properties were explored by UV-vis and photoluminescence spectroscopy in solution, water suspension, amorphous and crystalline films. On the other hand, the compound morphology of the up mentioned states was monitored by dynamic light scattering, scanning electron microscopy, atomic force microscopy and polarized light microscopy methods. To further understand the structural design – photophysical properties relationship, single crystal X-ray diffraction on some understudy compounds was performed too. The UV-vis absorption spectra of the triazole water suspensions indicated a typical behaviour for nanoparticle formation, while the photoluminescence spectra revealed an emission intensity enhancement up to 921-fold higher of the crystalline films compared to solutions, clearly indicating an AIE behaviour. The compounds have the tendency to aggregate forming nano- and micro- crystals in shape of rose-like and fibres. The crystals integrity is kept due to the strong lateral intermolecular forces, while the absence of face-to-face forces explains the enhanced luminescence in crystalline state, in which the intramolecular rotations are restricted. The studied flexible triazoles draw attention to a new structural design in which small biologically friendly luminophore units are linked together by small flexible chains. This design enlarges the variety of the AIE luminogens to the flexible molecules, guiding further efforts in development of new AIE structures for appropriate applications, the biological ones being especially envisaged.

Keywords: aggregation induced emission, pyridine-N-oxide, triazole

Procedia PDF Downloads 441
1307 Thermodynamic and Spectroscopic Investigation of Binary 2,2-Dimethyl-1-Propanol+ CO₂ Gas Hydrates

Authors: Seokyoon Moon, Yun-Ho Ahn, Heejoong Kim, Sujin Hong, Yunseok Lee, Youngjune Park

Abstract:

Gas hydrate is a non-stoichiometric crystalline compound consisting of host water-framework and low molecular weight guest molecules. Small gaseous molecules such as CH₄, CO₂, and N₂ can be captured in the host water framework lattices of the gas hydrate with specific temperature and pressure conditions. The three well-known crystal structures of structure I (sI), structure II (sII), and structure H (sH) are determined by the size and shape of guest molecules. In this study, we measured the phase equilibria of binary (2,2-dimethyl-1-propanol + CO₂, CH₄, N₂) hydrates to explore their fundamental thermodynamic characteristics. We identified the structure of the binary gas hydrate by employing synchrotron high-resolution powder diffraction (HRPD), and the guest distributions in the lattice of gas hydrate were investigated via dispersive Raman and ¹³C solid-state nuclear magnetic resonance (NMR) spectroscopies. The end-to-end distance of 2,2-dimethyl-1-propanol was calculated to be 7.76 Å, which seems difficult to be enclathrated in large cages of sI or sII. However, due to the flexibility of the host water framework, binary hydrates of sI or sII types can be formed with the help of small gas molecule. Also, the synchrotron HRPD patterns revealed that the binary hydrate structure highly depends on the type of help gases; a cubic Fd3m sII hydrate was formed with CH₄ or N₂, and a cubic Pm3n sI hydrate was formed with CO₂. Interestingly, dispersive Raman and ¹³C NMR spectra showed that the unique tuning phenomenon occurred in binary (2,2-dimethyl-1-propanol + CO₂) hydrate. By optimizing the composition of NPA, we can achieve both thermodynamic stability and high CO₂ storage capacity for the practical application to CO₂ capture.

Keywords: clathrate, gas hydrate, neopentyl alcohol, CO₂, tuning phenomenon

Procedia PDF Downloads 223
1306 A Machining Method of Cross-Shape Nano Channel and Experiments for Silicon Substrate

Authors: Zone-Ching Lin, Hao-Yuan Jheng, Zih-Wun Jhang

Abstract:

The paper innovatively proposes using the concept of specific down force energy (SDFE) and AFM machine to establish a machining method of cross-shape nanochannel on single-crystal silicon substrate. As for machining a cross-shape nanochannel by AFM machine, the paper develop a method of machining cross-shape nanochannel groove at a fixed down force by using SDFE theory and combining the planned cutting path of cross-shape nanochannel up to 5th machining layer it finally achieves a cross-shape nanochannel at a cutting depth of around 20nm. Since there may be standing burr at the machined cross-shape nanochannel edge, the paper uses a smaller down force to cut the edge of the cross-shape nanochannel in order to lower the height of standing burr and converge the height of standing burr at the edge to below 0.54nm as set by the paper. Finally, the paper conducts experiments of machining cross-shape nanochannel groove on single-crystal silicon by AFM probe, and compares the simulation and experimental results. It is proved that this proposed machining method of cross-shape nanochannel is feasible.

Keywords: atomic force microscopy (AFM), cross-shape nanochannel, silicon substrate, specific down force energy (SDFE)

Procedia PDF Downloads 355
1305 Thorium Extraction with Cyanex272 Coated Magnetic Nanoparticles

Authors: Afshin Shahbazi, Hadi Shadi Naghadeh, Ahmad Khodadadi Darban

Abstract:

In the Magnetically Assisted Chemical Separation (MACS) process, tiny ferromagnetic particles coated with solvent extractant are used to selectively separate radionuclides and hazardous metals from aqueous waste streams. The contaminant-loaded particles are then recovered from the waste solutions using a magnetic field. In the present study, Cyanex272 or C272 (bis (2,4,4-trimethylpentyl) phosphinic acid) coated magnetic particles are being evaluated for the possible application in the extraction of Thorium (IV) from nuclear waste streams. The uptake behaviour of Th(IV) from nitric acid solutions was investigated by batch studies. Adsorption of Thorium (IV) from aqueous solution onto adsorbent was investigated in a batch system. Adsorption isotherm and adsorption kinetic studies of Thorium (IV) onto nanoparticles coated Cyanex272 were carried out in a batch system. The factors influencing Thorium (IV) adsorption were investigated and described in detail, as a function of the parameters such as initial pH value, contact time, adsorbent mass, and initial Thorium (IV) concentration. Magnetically Assisted Chemical Separation (MACS) process adsorbent showed best results for the fast adsorption of Th (IV) from aqueous solution at aqueous phase acidity value of 0.5 molar. In addition, more than 80% of Th (IV) was removed within the first 2 hours, and the time required to achieve the adsorption equilibrium was only 140 minutes. Langmuir and Frendlich adsorption models were used for the mathematical description of the adsorption equilibrium. Equilibrium data agreed very well with the Langmuir model, with a maximum adsorption capacity of 48 mg.g-1. Adsorption kinetics data were tested using pseudo-first-order, pseudo-second-order and intra-particle diffusion models. Kinetic studies showed that the adsorption followed a pseudo-second-order kinetic model, indicating that the chemical adsorption was the rate-limiting step.

Keywords: Thorium (IV) adsorption, MACS process, magnetic nanoparticles, Cyanex272

Procedia PDF Downloads 315
1304 Boundary Layer Flow of a Casson Nanofluid Past a Vertical Exponentially Stretching Cylinder in the Presence of a Transverse Magnetic Field with Internal Heat Generation/Absorption

Authors: G. Sarojamma, K. Vendabai

Abstract:

An analysis is carried out to investigate the effect of magnetic field and heat source on the steady boundary layer flow and heat transfer of a Casson nanofluid over a vertical cylinder stretching exponentially along its radial direction. Using a similarity transformation, the governing mathematical equations, with the boundary conditions are reduced to a system of coupled, non –linear ordinary differential equations. The resulting system is solved numerically by the fourth order Runge – Kutta scheme with shooting technique. The influence of various physical parameters such as Reynolds number, Prandtl number, magnetic field, Brownian motion parameter, thermophoresis parameter, Lewis number and the natural convection parameter are presented graphically and discussed for non – dimensional velocity, temperature and nanoparticle volume fraction. Numerical data for the skin – friction coefficient, local Nusselt number and the local Sherwood number have been tabulated for various parametric conditions. It is found that the local Nusselt number is a decreasing function of Brownian motion parameter Nb and the thermophoresis parameter Nt.

Keywords: casson nanofluid, boundary layer flow, internal heat generation/absorption, exponentially stretching cylinder, heat transfer, brownian motion, thermophoresis

Procedia PDF Downloads 370
1303 Deconvolution of Anomalous Fast Fourier Transform Patterns for Tin Sulfide

Authors: I. Shuro

Abstract:

The crystal structure of Tin Sulfide prepared by certain chemical methods is investigated using High-Resolution Transmission Electron Microscopy (HRTEM), Scanning Electron Microscopy (SEM), and X-ray diffraction (XRD) methods. An anomalous HRTEM Fast Fourier Transform (FFT) exhibited a central scatter of diffraction spots, which is surrounded by secondary clusters of spots arranged in a hexagonal pattern around the central cluster was observed. FFT analysis has revealed a long lattice parameter and mostly viewed along a hexagonal axis where there many columns of atoms slightly displaced from one another. This FFT analysis has revealed that the metal sulfide has a long-range order interwoven chain of atoms in its crystal structure. The observed crystalline structure is inconsistent with commonly observed FFT patterns of chemically synthesized Tin Sulfide nanocrystals and thin films. SEM analysis showed the morphology of a myriad of multi-shaped crystals ranging from hexagonal, cubic, and spherical micro to nanostructured crystals. This study also investigates the presence of quasi-crystals as reflected by the presence of mixed local symmetries.

Keywords: fast fourier transform, high resolution transmission electron microscopy, tin sulfide, crystalline structure

Procedia PDF Downloads 126
1302 Similarity Solutions of Nonlinear Stretched Biomagnetic Flow and Heat Transfer with Signum Function and Temperature Power Law Geometries

Authors: M. G. Murtaza, E. E. Tzirtzilakis, M. Ferdows

Abstract:

Biomagnetic fluid dynamics is an interdisciplinary field comprising engineering, medicine, and biology. Bio fluid dynamics is directed towards finding and developing the solutions to some of the human body related diseases and disorders. This article describes the flow and heat transfer of two dimensional, steady, laminar, viscous and incompressible biomagnetic fluid over a non-linear stretching sheet in the presence of magnetic dipole. Our model is consistent with blood fluid namely biomagnetic fluid dynamics (BFD). This model based on the principles of ferrohydrodynamic (FHD). The temperature at the stretching surface is assumed to follow a power law variation, and stretching velocity is assumed to have a nonlinear form with signum function or sign function. The governing boundary layer equations with boundary conditions are simplified to couple higher order equations using usual transformations. Numerical solutions for the governing momentum and energy equations are obtained by efficient numerical techniques based on the common finite difference method with central differencing, on a tridiagonal matrix manipulation and on an iterative procedure. Computations are performed for a wide range of the governing parameters such as magnetic field parameter, power law exponent temperature parameter, and other involved parameters and the effect of these parameters on the velocity and temperature field is presented. It is observed that for different values of the magnetic parameter, the velocity distribution decreases while temperature distribution increases. Besides, the finite difference solutions results for skin-friction coefficient and rate of heat transfer are discussed. This study will have an important bearing on a high targeting efficiency, a high magnetic field is required in the targeted body compartment.

Keywords: biomagnetic fluid, FHD, MHD, nonlinear stretching sheet

Procedia PDF Downloads 146
1301 A Methodology Based on Image Processing and Deep Learning for Automatic Characterization of Graphene Oxide

Authors: Rafael do Amaral Teodoro, Leandro Augusto da Silva

Abstract:

Originated from graphite, graphene is a two-dimensional (2D) material that promises to revolutionize technology in many different areas, such as energy, telecommunications, civil construction, aviation, textile, and medicine. This is possible because its structure, formed by carbon bonds, provides desirable optical, thermal, and mechanical characteristics that are interesting to multiple areas of the market. Thus, several research and development centers are studying different manufacturing methods and material applications of graphene, which are often compromised by the scarcity of more agile and accurate methodologies to characterize the material – that is to determine its composition, shape, size, and the number of layers and crystals. To engage in this search, this study proposes a computational methodology that applies deep learning to identify graphene oxide crystals in order to characterize samples by crystal sizes. To achieve this, a fully convolutional neural network called U-net has been trained to segment SEM graphene oxide images. The segmentation generated by the U-net is fine-tuned with a standard deviation technique by classes, which allows crystals to be distinguished with different labels through an object delimitation algorithm. As a next step, the characteristics of the position, area, perimeter, and lateral measures of each detected crystal are extracted from the images. This information generates a database with the dimensions of the crystals that compose the samples. Finally, graphs are automatically created showing the frequency distributions by area size and perimeter of the crystals. This methodological process resulted in a high capacity of segmentation of graphene oxide crystals, presenting accuracy and F-score equal to 95% and 94%, respectively, over the test set. Such performance demonstrates a high generalization capacity of the method in crystal segmentation, since its performance considers significant changes in image extraction quality. The measurement of non-overlapping crystals presented an average error of 6% for the different measurement metrics, thus suggesting that the model provides a high-performance measurement for non-overlapping segmentations. For overlapping crystals, however, a limitation of the model was identified. To overcome this limitation, it is important to ensure that the samples to be analyzed are properly prepared. This will minimize crystal overlap in the SEM image acquisition and guarantee a lower error in the measurements without greater efforts for data handling. All in all, the method developed is a time optimizer with a high measurement value, considering that it is capable of measuring hundreds of graphene oxide crystals in seconds, saving weeks of manual work.

Keywords: characterization, graphene oxide, nanomaterials, U-net, deep learning

Procedia PDF Downloads 149
1300 Numerical Analysis of 3D Electromagnetic Fields in Annular Induction Plasma

Authors: Abderazak Guettaf

Abstract:

The mathematical models of the physical phenomena interacting in inductive plasma were described by the physics equations of the continuous mediums. A 3D model based on magnetic potential vector and electric scalar potential (A, V) formulation is used. The finished volume method is applied to electromagnetic equation, to obtain the field distribution inside the plasma. The numerical results of the method developed on a basic model designed starting from a real three-dimensional model were exposed. From the mathematical model 3D spreading assumptions and boundary conditions, we evaluated the electric field in the load and we have developed a numerical code made under the MATLAB environment, all verifying the effectiveness and validity of this code.

Keywords: electric field, 3D magnetic potential vector and electric scalar potential (A, V) formulation, finished volumes, annular plasma

Procedia PDF Downloads 478
1299 Structural and Magnetic Properties of CoFe2-xNdxO4 Spinel Ferrite Nanoparticles

Authors: R. S. Yadav, J. Havlica, I. Kuřitka, Z. Kozakova, J. Masilko, M. Hajdúchová, V. Enev, J. Wasserbauer

Abstract:

In this present work, CoFe2-xNdxO4 (0.0 ≤ x ≥0.1) spinel ferrite nanoparticles were synthesized by starch-assisted sol-gel auto-combustion method. Powder X-ray diffraction patterns were revealed the formation of cubic spinel ferrite with the signature of NdFeO3 phase at higher Nd3+ concentration. The field emission scanning electron microscopy study demonstrated the spherical nanoparticle in the size range between 5-15 nm. Raman and Fourier Transform Infrared spectra supported the formation of the spinel ferrite structure in the nanocrystalline form. The X-ray photoelectron spectroscopy (XPS) analysis confirmed the presence of Co2+ and Fe3+ at octahedral as well as a tetrahedral site in CoFe2-xNdxO4 nanoparticles. The change in magnetic properties with a variation of concentration of Nd3+ ions in cobalt ferrite nanoparticles was observed.

Keywords: nanoparticles, spinel ferrites, sol-gel auto-combustion method, CoFe2-xNdxO4

Procedia PDF Downloads 479
1298 Detecting Potential Geothermal Sites by Using Well Logging, Geophysical and Remote Sensing Data at Siwa Oasis, Western Desert, Egypt

Authors: Amr S. Fahil, Eman Ghoneim

Abstract:

Egypt made significant efforts during the past few years to discover significant renewable energy sources. Regions in Egypt that have been identified for geothermal potential investigation include the Gulf of Suez and the Western Desert. One of the most promising sites for the development of Egypt's Northern Western Desert is Siwa Oasis. The geological setting of the oasis, a tectonically generated depression situated in the northernmost region of the Western desert, supports the potential for substantial geothermal resources. Field data obtained from 27 deep oil wells along the Western Desert included bottom-hole temperature (BHT) depth to basement measurements, and geological maps; data were utilized in this study. The major lithological units, elevation, surface gradient, lineaments density, and remote sensing multispectral and topographic were mapped together to generate the related physiographic variables. Eleven thematic layers were integrated in a geographic information system (GIS) to create geothermal maps to aid in the detection of significant potential geothermal spots along the Siwa Oasis and its vicinity. The contribution of total magnetic intensity data with reduction to the pole (RTP) to the first investigation of the geothermal potential in Siwa Oasis is applied in this work. The integration of geospatial data with magnetic field measurements showed a clear correlation between areas of high heat flow and magnetic anomalies. Such anomalies can be interpreted as related to the existence of high geothermal energy and dense rock, which also have high magnetic susceptibility. The outcomes indicated that the study area has a geothermal gradient ranging from 18 to 42 °C/km, a heat flow ranging from 24.7 to 111.3 m.W. k−1, a thermal conductivity of 1.3–2.65 W.m−1.k−1 and a measured amplitude temperature maximum of 100.7 °C. The southeastern part of the Siwa Oasis, and some sporadic locations on the eastern section of the oasis were found to have significant geothermal potential; consequently, this location is suitable for future geothermal investigation. The adopted method might be applied to identify significant prospective geothermal energy locations in other regions of Egypt and East Africa.

Keywords: magnetic data, SRTM, depth to basement, remote sensing, GIS, geothermal gradient, heat flow, thermal conductivity

Procedia PDF Downloads 90
1297 Investigation of Effects of Geomagnetic Storms Produced by Different Solar Sources on the Total Electron Content (TEC)

Authors: P. K. Purohit, Azad A. Mansoori, Parvaiz A. Khan, Purushottam Bhawre, Sharad C. Tripathi, A. M. Aslam, Malik A. Waheed, Shivangi Bhardwaj, A. K. Gwal

Abstract:

The geomagnetic storm represents the most outstanding example of solar wind-magnetospheric interaction, which causes global disturbances in the geomagnetic field as well as the trigger ionospheric disturbances. We study the behaviour of ionospheric Total Electron Content (TEC) during the geomagnetic storms. For the present investigation we have selected 47 intense geomagnetic storms (Dst ≤ -100nT) that were observed during the solar cycle 23 i.e. during 1998-2006. We then categorized these storms into four categories depending upon their solar sources like Magnetic Cloud (MC), Co-rotating Interaction Region (CIR), SH+ICME and SH+MC. We then studied the behaviour of ionospheric TEC at a mid latitude station Usuda (36.13N, 138.36E), Japan during these storm events produced by four different solar sources. During our study we found that the smooth variations in TEC are replaced by rapid fluctuations and the value of TEC is strongly enhanced during the time of these storms belonging to all the four categories. However, the greatest enhancements in TEC are produced during those geomagnetic storms which are either caused by sheath driven magnetic cloud (SH+MC) or sheath driven ICME (SH+ICME). We also derived the correlation between the TEC enhancements produced during storms of each category with the minimum Dst. We found the strongest correlation exists for the SH+ICME category followed by SH+MC, MC and finally CIR. Since the most intense storms were either caused by SH+ICME or SH+MC while the least intense storms were caused by CIR, consequently the correlation was the strongest with SH+ICME and SH+MC and least with CIR.

Keywords: GPS, TEC, geomagnetic storm, sheath driven magnetic cloud

Procedia PDF Downloads 528
1296 Uncommon Causes of Acute Abdominal Pain: A Pictorial Essay

Authors: Mahesh Hariharan, Rajan Balasubramaniam, Sharath Kumar Shetty, Shanthala Yadavalli, Mohammed Ahetasham, Sravya Devarapalli

Abstract:

Acute abdomen is one of the most common clinical conditions requiring a radiological investigation. Ultrasound is the primary modality of choice which can diagnose some of the common causes of acute abdomen. However, sometimes the underlying cause for the pain is far more complicated than expected to mandate a high degree of suspicion to suggest further investigation with contrast-enhanced computed tomography or magnetic resonance imaging. Here, we have compiled a comprehensive series of selected cases to highlight the conditions which can be easily overlooked unless carefully sought for. This also emphasizes the importance of multimodality approach to arrive at the final diagnosis with an increased overall diagnostic accuracy which in turn improves patient management and prognosis.

Keywords: acute abdomen, contrast-enhanced computed tomography scan, magnetic resonance imaging, plain radiographs, ultrasound

Procedia PDF Downloads 345
1295 Cocrystals of Etodolac: A Crystal Engineering Approach with an Endeavor to Enhance Its Biopharmaceutical Assets

Authors: Sakshi Tomar, Renu Chadha

Abstract:

Cocrystallization comprises a selective route to the intensive design of pharmaceutical products with desired physiochemical and pharmacokinetic properties. The present study is focused on the preparation, characterization, and evaluation of etodolac (ET) co-crystals with coformers nicotinamide (ETNI) and Glutaric acid (ETGA), using cocrystallization approach. Preliminarily examination of the prepared co-crystal was done by differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FT-IR), powder X-ray diffraction (PXRD). DSC thermographs of ETNI and ETGA cocrystals showed single sharp melting endotherms at 144°C and 135°C, respectively, which were different from the melting of drugs and coformers. FT-IR study points towards carbonyl-acid interaction sandwiched between the involving molecules. The emergence of new peaks in the PXRD pattern confirms the formation of new crystalline solid forms. Both the cocrystals exhibited better apparent solubility, and 3.8-5.0 folds increase in IDR were established, as compared to pure etodolac. Evaluations of these solid forms were done using anti-osteoarthritic activities. All the results indicate that etodolac cocrystals possess better anti-osteoarthritic efficacy than free drug. Thus loom of cocrystallization has been found to be a viable approach to resolve the solubility and bioavailability issues that circumvent the use of potential antiosteoarthritic molecules.

Keywords: bioavailability, etodolac, nicotinamide, osteoarthritis

Procedia PDF Downloads 188
1294 Device for Mechanical Fragmentation of Organic Substrates Before Methane Fermentation

Authors: Marcin Zieliński, Marcin Dębowski, Mirosław Krzemieniewski

Abstract:

This publication presents a device designed for mechanical fragmentation of plant substrate before methane fermentation. The device is equipped with a perforated rotary cylindrical drum coated with a thermal layer, connected to a substrate feeder and driven by a motoreducer. The drum contains ball- or cylinder-shaped weights of different diameters, while its interior is mounted with lateral permanent magnets with an attractive force ranging from 100 kg to 2 tonnes per m2 of the surface. Over the perforated rotary drum, an infrared radiation generator is mounted, producing 0.2 kW to 1 kW of infrared radiation per 1 m2 of the perforated drum surface. This design reduces the energy consumption required for the biomass destruction process by 10-30% in comparison to the conventional ball mill. The magnetic field generated by the permanent magnets situated within the perforated rotary drum promotes this process through generation of free radicals that act as powerful oxidants, accelerating the decomposition rate. Plant substrate shows increased susceptibility to biodegradation when subjected to magnetic conditioning, reducing the time required for biomethanation by 25%. Additionally, the electromagnetic radiation generated by the radiator improves substrate destruction by 10% and the efficiency of the process. The magnetic field and the infrared radiation contribute synergically to the increased efficiency of destruction and conversion of the substrate.

Keywords: biomass pretreatment, mechanical fragmentation, biomass, methane fermentation

Procedia PDF Downloads 563
1293 Synthesis of Rare-Earth Pyrazolate Compounds

Authors: Nazli Eslamirad, Peter C. Junk, Jun Wang, Glen B. Deacon

Abstract:

Since coordination behavior of pyrazoles and pyrazolate ions are widely versatile towards a great range of metals such as d-block, f-block as well as main group elements; they attract interest as ligands for preparing compounds. A variety of rare-earth pyrazolate complexes have been synthesized by redox transmetalation/protolysis (RTP) previously, therefore, a variety of rare-earth pyrazolate complexes using two pyrazoles, 3,5-dimethylpyrazole (Me₂pzH) and 3,5-di-tert -butylpyrazolate (t-Bu₂pzH), in which the structures span the whole La-Lu array beside Sc and Y has been synthesized by RTP reaction. There have been further developments in this study: Synthesizing structure of [Tb(Me₂pz)₃(thf)]₂ which is isomorphous with those of the previously reported [Dy(Me₂pz)₃(thf)]₂ and [Lu(Me₂pz)₃(thf)]₂ analogous that has two µ-1(N):2(Nʹ)-Me2pz ligands (the most common pyrazolate ligation for non-rare-earth complexes). Previously most of the reported compounds using t-Bu2pzH were monomeric compounds however the lanthanum derivative [La(Me₂pz)₃thf₂] ,which has been reported previously without crystal structure, has now been structurally characterized, along with cerium and lutetium analogue. Also a polymeric structure with samarium has now been synthesized which the neodymium analogue has been reported previously and comparing these polymeric structures can support the idea that the geometry of Sm(tBu₂pz)₃ affect the coordination of the solvent. Also, by using 1,2-dimethoxyethane (DME) instead of tetrahydrofuran (THF) new [Er(tBu₂pz)₃ (dme)₂] has now been reported.

Keywords: lanthanoid complexes, pyrazolate, redox transmetalation/protolysis, x-ray crystal structures

Procedia PDF Downloads 198
1292 Experimental and Theoretical Approach, Hirshfeld Surface, Reduced Density Gradient, Molecular Docking of a Thiourea Derivative

Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

Abstract:

A thiourea derivative compound was synthesized and subjected to structural analysis using single-crystal X-ray diffraction (XRD). The crystallographic data unveiled its crystallization in the P21/c space group within the monoclinic system. Examination of the dihedral angles indicated a notable non-planar structure. To support and interpret these resulats, density functional theory (DFT) calculations were conducted utilizing the B3LYP functional along with a 6–311 G (d, p) basis set. Additionally, to assess the contribution of intermolecular interactions, Hirshfeld surface analysis and 2D fingerprint plots were employed. Various types of interactions, whether weak intramolecular or intermolecular, within a molecule can significantly impact its stability. The distinctive signature of non-covalent interactions can be detected solely through electron density analysis. The NCI-RDG analysis was employed to investigate both repulsive and attractive van der Waals interactions while also calculating the energies associated with intermolecular interactions and their characteristics. Additionally, a molecular docking study was studied to explain the structure-activity relationship, revealing that the title compound exhibited an affinity energy of -6.8 kcal/mol when docked with B-DNA (1BNA).

Keywords: computational chemistry, density functional theory, crystallography, molecular docking, molecular structure, powder x-ray diffraction, single crystal x-ray diffraction

Procedia PDF Downloads 35
1291 Activation of Mirror Neuron System Response to Drumming Training: A Functional Magnetic Resonance Imaging Study

Authors: Manal Alosaimi

Abstract:

Many rehabilitation strategies exist to aid persons with neurological disorders relearn motor skills through intensive training. Evidence supporting the theory that cortical areas involved in motor execution can be triggered by observing actions performed by others is attributed to the function of the mirror neuron system (MNS) indicates that activation of the MNS is associated with improvements in physical action and motor learning. Therefore, it is important to investigate the relationship between motor training (in this case, playing the drums) and the activation of the MNS. To achieve this, 15 healthy right-handed participants received drum-kit training for 21 weeks, during which time blood oxygen level-dependent (BOLD) signals were monitored in the brain using functional magnetic resonance imaging (fMRI). Participants were required to perform action–observation and action–execution fMRI tasks. The main results are that BOLD signals in classical regions of the MNS such as supramarginal gyri, inferior parietal lobule, and supplementary motor area increase significantly over the training period. Activation of these areas indicates that passive-observation of others performing these same skills may facilitate recovery of persons suffering from neurological disorders, and complement conventional rehabilitation programs that focus on action execution or intense training.

Keywords: fMRI, mirror neuron system, magnetic resonance imaging, neuroplasticity, drumming, learning, music, action observation, action execution

Procedia PDF Downloads 16
1290 Complete Enumeration Approach for Calculation of Residual Entropy for Diluted Spin Ice

Authors: Yuriy A. Shevchenko, Konstantin V. Nefedev

Abstract:

We consider the antiferromagnetic systems of Ising spins located at the sites of the hexagonal, triangular and pyrochlore lattices. Such systems can be diluted to a certain concentration level by randomly replacing the magnetic spins with nonmagnetic ones. Quite recently we studied density of states (DOS) was calculated by the Wang-Landau method. Based on the obtained data, we calculated the dependence of the residual entropy (entropy at a temperature tending to zero) on the dilution concentration for quite large systems (more than 2000 spins). In the current study, we obtained the same data for small systems (less than 20 spins) by a complete search of all possible magnetic configurations and compared the result with the result for large systems. The shape of the curve remains unchanged in both cases, but the specific values of the residual entropy are different because of the finite size effect.

Keywords: entropy, pyrochlore, spin ice, Wang-Landau algorithm

Procedia PDF Downloads 247
1289 MWCNT/CuFe10Al2O19/Polyanilie Nanocomposite for Microwave Absorbing Applications

Authors: Pallab Bhattacharya, C. K. Das

Abstract:

Development of microwave absorbing material is a growing field of research in both the commercial and defense sector, and also to enrich the field of stealth technology. The recent work is attentive to the preparation of nanocomposite based on acid modified MWCNT, hexagonal shaped magnetic M-type hexaferrite (CuFe10Al2O19) and polyaniline. CuFe10Al2O19 was prepared by a facile chemical co-precipitation method. An in-situ approach was employed for the coating of polyaniline on MWCNT/CuFe10Al2O19 nanocomposite. The final fabrication of this nanocomposite for microwave measurements was done suitably in the matrix of thermoplastic polyurethane with 10% filler content. The nanocomposites showed the maximum reflection loss of -60.2 dB (in X-band) at the thickness of 2.5 mm with a broad absorption range in contrast to the pristine MWCNT and CuFe10Al2O19. Addition of PANI improves the microwave absorption property of the nanocomposites. The thermal stability of the prepared nanocomposites is also very high.

Keywords: magnetic materials, microwave absorption, MWCNT, nanocomposites

Procedia PDF Downloads 280
1288 Structure and Morphology of Electrodeposited Nickel Nanowires at an Electrode Distance of 20mm

Authors: Mahendran Samykano, Ram Mohan, Shyam Aravamudhan

Abstract:

The objective of this work is to study the effect of two key factors-external magnetic field and applied current density during the template-based electrodeposition of nickel nanowires using an electrode distance of 20 mm. Morphology, length, crystallite size, and crystallographic characterization of the grown nickel nanowires at an electrode distance of 20mm are presented. For this electrode distance of 20 mm, these two key electrodeposition factors when coupled was found to reduce crystallite size with a higher growth length and preferred orientation of Ni crystals. These observed changes can be inferred to be due to coupled interaction forces induced by the intensity of applied electric field (current density) and external magnetic field known as magnetohydrodynamic (MHD) effect during the electrodeposition process.

Keywords: anodic alumina oxide, electrodeposition, nanowires, nickel

Procedia PDF Downloads 263
1287 Intensified Electrochemical H₂O₂ Synthesis and Highly Efficient Pollutant Removal Enabled by Nickel Oxides with Surface Engineered Facets and Vacancies

Authors: Wenjun Zhang, Thao Thi Le, Dongyup Shin, Jong Min Kim

Abstract:

Electrochemical hydrogen peroxide (H₂O₂) synthesis holds significant promise for decentralized environmental remediation through the electro-Fenton process. However, challenges persist, such as the absence of robust electrocatalysts for the selective two-electron oxygen reduction reaction (2e⁻ ORR) and the high cost and sluggish kinetics of conventional electro-Fenton systems in treating highly concentrated wastewater. This study introduces an efficient water treatment system for removing substantial quantities of organic pollutants using an advanced electro-Fenton system coupled with a high-valent NiO catalyst. By employing a precipitation method involving crystal facet and cation vacancy engineering, a trivalent Ni (Ni³⁺)-rich NiO catalyst with a (111)-domain-exposed crystal facet, named {111}-NivO, was synthesized. This catalyst exhibited a remarkable 96% selectivity and a high mass activity of 59 A g⁻¹ for H₂O₂ production, outperforming all previously reported Ni-based catalysts. Furthermore, an advanced electro-Fenton system, integrated with a flow cell for electrochemical H₂O₂ production, was utilized to achieve 100% removal of 50 ppm bisphenol A (BPA) in 200 mL of wastewater under heavy-duty conditions, reaching a superior rapid degradation rate (4 min, k = 1.125 min⁻¹), approximately 102 times faster than the conventional electro-Fenton system. The hyper-efficiency is attributed to the continuous and appropriate supply of H₂O₂, the provision of O₂, and the timely recycling of the electrolyte under high current density operation. This catalyst also demonstrated a 93% removal of total organic carbon after 2 hours of operation and can be applied for efficient removal of highly concentrated phenol pollutants from aqueous systems, which opens new avenues for wastewater treatment.

Keywords: hydrogen peroxide production, nickel oxides, crystal facet and cation vacancy engineering, wastewater treatment, flow cell, electro-Fenton

Procedia PDF Downloads 35
1286 A Broadband Tri-Cantilever Vibration Energy Harvester with Magnetic Oscillator

Authors: Xiaobo Rui, Zhoumo Zeng, Yibo Li

Abstract:

A novel tri-cantilever energy harvester with magnetic oscillator was presented, which could convert the ambient vibration into electrical energy to power the low-power devices such as wireless sensor networks. The most common way to harvest vibration energy is based on the use of linear resonant devices such as cantilever beam, since this structure creates the highest strain for a given force. The highest efficiency will be achieved when the resonance frequency of the harvester matches the vibration frequency. The limitation of the structure is the narrow effective bandwidth. To overcome this limitation, this article introduces a broadband tri-cantilever harvester with nonlinear stiffness. This energy harvester typically consists of three thin cantilever beams vertically arranged with Neodymium Magnets ( NdFeB)magnetics at its free end and a fixed base at the other end. The three cantilevers have different resonant frequencies by designed in different thicknesses. It is obviously that a similar advantage of multiple resonant frequencies as piezoelectric cantilevers array structure is built. To achieve broadband energy harvesting, magnetic interaction is used to introduce the nonlinear system stiffness to tune the resonant frequency to match the excitation. Since the three cantilever tips are all free and the magnetic force is distance dependent, the resonant frequencies will be complexly changed with the vertical vibration of the free end. Both model and experiment are built. The electromechanically coupled lumped-parameter model is presented. An electromechanical formulation and analytical expressions for the coupled nonlinear vibration response and voltage response are given. The entire structure is fabricated and mechanically attached to a electromagnetic shaker as a vibrating body via the fixed base, in order to couple the vibrations to the cantilever. The cantilevers are bonded with piezoelectric macro-fiber composite (MFC) materials (Model: M8514P2). The size of the cantilevers is 120*20mm2 and the thicknesses are separately 1mm, 0.8mm, 0.6mm. The prototype generator has a measured performance of 160.98 mW effective electrical power and 7.93 DC output voltage via the excitation level of 10m/s2. The 130% increase in the operating bandwidth is achieved. This device is promising to support low-power devices, peer-to-peer wireless nodes, and small-scale wireless sensor networks in ambient vibration environment.

Keywords: tri-cantilever, ambient vibration, energy harvesting, magnetic oscillator

Procedia PDF Downloads 141
1285 First-Principles Calculations of Hydrogen Adsorbed in Multi-Layer Graphene

Authors: Mohammad Shafiul Alam, Mineo Saito

Abstract:

Graphene-based materials have attracted much attention because they are candidates for post silicon materials. Since controlling of impurities is necessary to achieve nano device, we study hydrogen impurity in multi-layer graphene. We perform local spin Density approximation (LSDA) in which the plane wave basis set and pseudopotential are used. Previously hydrogen monomer and dimer in graphene is well theoretically studied. However, hydrogen on multilayer graphene is still not clear. By using first-principles electronic structure calculations based on the LSDA within the density functional theory method, we studied hydrogen monomers and dimers in two-layer graphene. We found that the monomers are spin-polarized and have magnetic moment 1 µB. We also found that most stable dimer is much more stable than monomer. In the most stable structures of the dimers in two-layer graphene, the two hydrogen atoms are bonded to the host carbon atoms which are nearest-neighbors. In this case two hydrogen atoms are located on the opposite sides. Whereas, when the two hydrogen atoms are bonded to the same sublattice of the host materials, magnetic moments of 2 µB appear in two-layer graphene. We found that when the two hydrogen atoms are bonded to third-nearest-neighbor carbon atoms, the electronic structure is nonmagnetic. We also studied hydrogen monomers and dimers in three-layer graphene. The result is same as that of two-layer graphene. These results are very important in the field of carbon nanomaterials as it is experimentally difficult to show the magnetic state of those materials.

Keywords: first-principles calculations, LSDA, multi-layer gra-phene, nanomaterials

Procedia PDF Downloads 319
1284 Half-Metallic Ferromagnetism in CdCoTe and CdMnTe: Ab-Initio Study

Authors: A.Zitouni, S.Bentata, B.Bouadjemi, T.Lantri, W. Benstaali, Z.Aziz, S.Cherid, A. Sefir

Abstract:

Using the first-principles method, we investigate the structural, electronic, and magnetic properties of the diluted magnetic semiconductors CdCoTe and CdMnTe in the zinc blende phase with 12.5% of Cr. The calculations are performed by a developed full potential augmented plane wave (FP-L/APW) method within the spin density functional theory (DFT). As exchange–correlation potential, we used the new generalized gradient approximation GGA. Structural properties are determined from the total energy calculations and we found that these compounds are stable in the ferromagnetic phase. We discuss the electronic structures, total and partial densities of states and local moments. Finally, CdCoTe and CdMnTe in the zinc-blend phase show the half-metallic ferromagnetic nature and are expected to be potential materials for spintronic devices.

Keywords: DFT, GGA, band structures, half-metallic, spintronics

Procedia PDF Downloads 437
1283 Synthesis and Catalytic Activity of N-Heterocyclic Carbene Copper Catalysts Supported on Magnetic Nanoparticles

Authors: Iwona Misztalewska-Turkowicz, Agnieszka Z. Wilczewska, Karolina H. Markiewicz

Abstract:

Carbenes - species which possess neutral carbon atom with two shared and two unshared valence electrons, are known for their high reactivity and instability. Nevertheless, it is also known, that some carbenes i.e. N-heterocyclic carbenes (NHCs), can form stable crystals. The usability of NHCs in organic synthesis was studied. Due to their exceptional properties (high nucleophilicity) NHCs are commonly used as organocatalysts and also as ligands in transition metal complexes. NHC ligands possess better electron-donating properties than phosphines. Moreover, they exhibit lower toxicity. Due to these features, phosphines are frequently replaced by NHC ligands. In this research is discussed the synthesis of five-membered NHCs which are mainly obtained by deprotonation of azolium salts, e.g., imidazolium or imidazolinium salts. Some of them are immobilized on a solid support what leads to formation of heterogeneous, recyclable catalysts. Magnetic nanoparticles (MNPs) are often used as a solid support for catalysts. MNPs can be easily separated from the reaction mixture using an external magnetic field. Due to their low size and high surface to volume ratio, they are a good choice for immobilization of catalysts. Herein is presented synthesis of N-heterocyclic carbene copper complexes directly on the surface of magnetic nanoparticles. Formation of four different catalysts is discussed. They vary in copper oxidation state (Cu(I) and Cu(II)) and structure of NHC ligand. Catalysts were tested in Huisgen reaction, a type of copper catalyzed azide-alkyne cycloaddition (CuAAC) reaction. Huisgen reaction represents one of the few universal and highly efficient reactions in which 1,2,3-triazoles can be obtained. The catalytic activity of all synthesized catalysts was compared with activity of commercially available ones. Different reaction conditions (solvent, temperature, the addition of reductant) and reusability of the obtained catalysts were investigated and are discussed. The project was financially supported by National Science Centre, Poland, grant no. 2016/21/N/ST5/01316. Analyses were performed in Centre of Synthesis and Analyses BioNanoTechno of University of Bialystok. The equipment in the Centre of Synthesis and Analysis BioNanoTechno of University of Bialystok was funded by EU, as a part of the Operational Program Development of Eastern Poland 2007-2013, project: POPW.01.03.00-20-034/09-00 and POPW.01.03.00-20-004/11.

Keywords: N-heterocyclic carbenes, click reaction, magnetic nanoparticles, copper catalysts

Procedia PDF Downloads 141
1282 Design Development and Qualification of a Magnetically Levitated Blower for C0₂ Scrubbing in Manned Space Missions

Authors: Larry Hawkins, Scott K. Sakakura, Michael J. Salopek

Abstract:

The Marshall Space Flight Center is designing and building a next-generation CO₂ removal system, the Four Bed Carbon Dioxide Scrubber (4BCO₂), which will use the International Space Station (ISS) as a testbed. The current ISS CO2 removal system has faced many challenges in both performance and reliability. Given that CO2 removal is an integral Environmental Control and Life Support System (ECLSS) subsystem, the 4BCO2 Scrubber has been designed to eliminate the shortfalls identified in the current ISS system. One of the key required upgrades was to improve the performance and reliability of the blower that provides the airflow through the CO₂ sorbent beds. A magnetically levitated blower, capable of higher airflow and pressure than the previous system, was developed to meet this need. The design and qualification testing of this next-generation blower are described here. The new blower features a high-efficiency permanent magnet motor, a five-axis, active magnetic bearing system, and a compact controller containing both a variable speed drive and a magnetic bearing controller. The blower uses a centrifugal impeller to pull air from the inlet port and drive it through an annular space around the motor and magnetic bearing components to the exhaust port. Technical challenges of the blower and controller development include survival of the blower system under launch random vibration loads, operation in microgravity, packaging under strict size and weight requirements, and successful operation during 4BCO₂ operational changeovers. An ANSYS structural dynamic model of the controller was used to predict response to the NASA defined random vibration spectrum and drive minor design changes. The simulation results are compared to measurements from qualification testing the controller on a vibration table. Predicted blower performance is compared to flow loop testing measurements. Dynamic response of the system to valve changeovers is presented and discussed using high bandwidth measurements from dynamic pressure probes, magnetic bearing position sensors, and actuator coil currents. The results presented in the paper show that the blower controller will survive launch vibration levels, the blower flow meets the requirements, and the magnetic bearings have adequate load capacity and control bandwidth to maintain the desired rotor position during the valve changeover transients.

Keywords: blower, carbon dioxide removal, environmental control and life support system, magnetic bearing, permanent magnet motor, validation testing, vibration

Procedia PDF Downloads 123
1281 Growth and Characterization of Bis-Thiourea Nickel Barium Chloride Single Crystals

Authors: Rakesh Hajiyani, Chetan Chauhan, Harshkant Jethva, Mihir Joshi

Abstract:

Metal bis-thiourea type organo-metallic crystals are popular as non-linear optical materials. Bis-thiourea nickel barium chloride was synthesized and crystals were grown by slow aqueous solvent evaporation technique. The transparent and colorless crystals having maximum dimensions of 13 mm x 8 mm x 2.2 mm were obtained. The EDAX was carried out to estimate the content of nickel and barium in the grown crystals. The powder XRD analysis suggested orthorhombic crystal structure with unit cell parameters as: a= 9.70 Å, b= 10.68 Å and c= 17.95 Å. The FTIR spectroscopy study confirmed the presence of various functional groups. The UV-vis spectroscopy study indicated that the crystals were transparent in the visible region with 90% transmittance level further optical parameters were studied. From the TGA it was found that the crystals remained stable up to 170 0C and then decomposed through two decomposition stages. The dielectric study was carried out in the frequency range of applied field from 500 Hz to 1 MHz. The variations of dielectric constant, dielectric loss were studied with frequency. It was found that the dielectric constant and the dielectric loss decreased as the frequency of applied field increased. The results are discussed.

Keywords: crystal growth, dielectric study, optical parameters, organo-metallic crystals, powder xrd, slow evaporation technique, TGA

Procedia PDF Downloads 436
1280 FC and ZFC Studies of Nickel Nano Ferrites and Ni Doped Lithium Nano Ferrites by Citrate-Gel Auto Combustion Method

Authors: D. Ravinder

Abstract:

Nickel ferrites and Ni doped Lithium nano ferrites [Li0.5Fe0.5]1-xNixFe2O4 with x= 0.8 and 1.0 synthesized by citrate-gel auto combustion method. The broad peaks in the X-ray diffraction pattern (XRD) indicate a crystalline behavior of the prepared samples. Low temperature magnetization studies i,e Field Cooled (FC) and Zero Field Cooled (ZFC) magnetic studies of the investigated samples are measured by using vibrating sample magnetometer (VSM). The magnetization of the prepared samples as a function of an applied magnetic field 10 T was measured at two different temperatures 5 K and 310 K. Field Cooled (FC) and Zero Field Cooled (ZFC) magnetization measurements under an applied field of 100 Oe and 1000 Oe in the temperature range of 5–375 K were carried out.

Keywords: ferro-spinels, field cooled (FC), Zero Field Cooled (ZFC) and blocking temperature, superpara magnetism, drug delivery applications

Procedia PDF Downloads 536
1279 Design of a Permanent Magnet Based Focusing Lens for a Miniature Klystron

Authors: Kumud Singh, Janvin Itteera, Priti Ukarde, Sanjay Malhotra, P. PMarathe, Ayan Bandyopadhay, Rakesh Meena, Vikram Rawat, L. M. Joshi

Abstract:

Application of Permanent magnet technology to high frequency miniature klystron tubes to be utilized for space applications improves the efficiency and operational reliability of these tubes. But nevertheless the task of generating magnetic focusing forces to eliminate beam divergence once the beam crosses the electrostatic focusing regime and enters the drift region in the RF section of the tube throws several challenges. Building a high quality magnet focusing lens to meet beam optics requirement in cathode gun and RF interaction region is considered to be one of the critical issues for these high frequency miniature tubes. In this paper, electromagnetic design and particle trajectory studies in combined electric and magnetic field for optimizing the magnetic circuit using 3D finite element method (FEM) analysis software is presented. A rectangular configuration of the magnet was constructed to accommodate apertures for input and output waveguide sections and facilitate coupling of electromagnetic fields into the input klystron cavity and out from output klystron cavity through coupling loops. Prototype lenses have been built and have been tested after integration with the klystron tube. We discuss the design requirements and challenges, and the results from beam transmission of the prototype lens.

Keywords: beam transmission, Brillouin, confined flow, miniature klystron

Procedia PDF Downloads 432