Search results for: phase change magnetic materials

Authors: A. Abbad, W. Benstaali

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Using first-principles calculations based on the density functional theory and generalize gradient approximation, we predict electronic and magnetic properties of CeFeO3 orthorhombic perovskite. The calculated densities of states presented in this study identify the metallic behavior CeFeO3 when we use the GGA scheme, whereas when we use the GGA+U, we see that its exhibits half-metallic character with an integer magnetic moment of 24μB per formula unit at its equilibrium volume which makes this compound promising candidate for applications in spintronics.

Keywords: CeFeO3, magnetic moment, half-metallic, electronic properties

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Authors: Ana Munguia, Gerardo Ortiz, Guadalupe Gonzalez, Fiacro Jimenez

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Parkinson's disease (PD) is a neurodegenerative disorder that causes motor and cognitive symptoms. The first-choice treatment for these patients is pharmacological, but this generates several side effects. Because of that new treatments were introduced such as Repetitive Transcranial Magnetic Stimulation (rTMS) in order to improve the life quality of the patients. Several studies suggest significant changes in motor symptoms. However, there is a great diversity in the number of pulses, amplitude, frequency and stimulation targets, which results in inconsistent data. In addition, these studies do not have an analysis of the neuropsychological effects of the treatment. The main purpose of this study is to evaluate the impact of rTMS on the cognitive performance of 6 patients with H&Y III and IV (45-65 years, 3 men and 3 women). An initial neuropsychological and neurological evaluation was performed. Patients were randomized into two groups; in the first phase one received rTMS in the supplementary motor area, the other group in the dorsolateral prefrontal cortex contralateral to the most affected hemibody. In the second phase, each group received the stimulation in the area that he had not been stimulated previously. Reassessments were carried out at the beginning, at the end of each phase and a follow-up was carried out 6 months after the conclusion of the stimulation. In these preliminary results, it is reported that there's no statistically significant difference before and after receiving rTMS in the neuropsychological test scores of the patients, which suggests that the cognitive performance of patients is not detrimental. There are even tendencies towards an improvement in executive functioning after the treatment. What added to motor improvement, showed positive effects in the activities of the patients' daily life. In a later and more detailed analysis, will be evaluated the effects in each of the patients separately in relation to the functionality of the patients in their daily lives.

Keywords: Parkinson's disease, rTMS, cognitive, treatment

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Authors: Muhammad Abdullah Arafat, Nahrin Nowrose

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Wireless charging of electric vehicles is becoming more and more attractive as large amount of power can now be transferred to a reasonable distance using magnetic resonance coupling method. However, proper tuning of the compensation network is required to achieve maximum power transmission. Due to the variation of coil distance from the nominal value as a result of change in tire condition, change in weight or uneven road condition, the tuning of the compensation network has become challenging. In this paper, a tuning method has been described to determine the optimum values of the compensation network in order to maximize the average output power. The simulation results show that 5.2 percent increase in average output power is obtained for 10 percent variation in coupling coefficient using the optimum values without the need of additional space and electro-mechanical components. The proposed method is applicable to both static and dynamic charging of electric vehicles.

Keywords: coupling coefficient, electric vehicles, magnetic resonance coupling, tuning capacitor, wireless power transfer

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Authors: H. R. Goshayeshi, M. Khalouei, S. Azarberamman

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This paper presents an experimental investigation regarding the use of Fe2O3 nano particles added to kerosene as a working fluid, under magnetic field. The experiment was made on Oscillating Heat Pipe (OHP). The experiment was performed in order to measure the temperature distribution and compare the heat transfer rate of the oscillating heat pipe with and without magnetic Field. Results showed that the addition of Fe2o3 nano particles under magnetic field improved thermal performance of OHP, compare with non-magnetic field. Furthermore applying a magnetic field enhance the heat transfer characteristic of Fe2O3 in both start up and steady state conditions. This paper presents an experimental investigation regarding the use of Fe2O3 nano particles added to kerosene as a working fluid, under magnetic field. The experiment was made on Oscillating Heat Pipe (OHP). The experiment was performed in order to measure the temperature distribution and compare the heat transfer rate of the oscillating heat pipe with and without magnetic Field. Results showed that the addition of Fe2o3 nano particles under magnetic field improved thermal performance of OHP, compare with non-magnetic field. Furthermore applying a magnetic field enhance the heat transfer characteristic of Fe2O3 in both start up and steady state conditions.

Keywords: experimental, oscillating heat pipe, heat transfer, magnetic field

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Authors: Khadijat Olabisi Abdulwahab, Mohammad Azad Malik, Paul O'Brien, Grigore Timco, Floriana Tuna

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The synthesis of spinel ferrite nanoparticles with a narrow size distribution is very crucial in their numerous applications including information storage, hyperthermia treatment, drug delivery, contrast agent in magnetic resonance imaging, catalysis, sensors, and environmental remediation. Ferrites have the general formula MFe₂O₄ (M = Fe, Co, Mn, Ni, Zn e.t.c) and possess remarkable electrical and magnetic properties which depend on the cations, method of preparation, size and their site occupancies. To the best of our knowledge, there are no reports on the use of a single source precursor to synthesise quaternary ferrite nanoparticles. Here in, we demonstrated the use of trimetallic iron pivalate cluster [CrCoFeO(O₂CᵗBu)₆(HO₂CᵗBu)₃] as a single source precursor to synthesise monodisperse cobalt chromium ferrite (FeCoCrO₄) nanoparticles by the hot injection thermolysis method. The precursor was thermolysed in oleylamine, oleic acid, with diphenyl ether as solvent at 260 °C. The effect of reaction time on the stoichiometry, phases or morphology of the nanoparticles was studied. The p-XRD patterns of the nanoparticles obtained after one hour was pure phase of cubic iron cobalt chromium ferrite (FeCoCrO₄). TEM showed that a more monodispersed spherical ferrite nanoparticles were obtained after one hour. Magnetic measurements revealed that the ferrite particles are superparamagnetic at room temperature. The nanoparticles were characterised by Powder X-ray Diffraction (p-XRD), Transmission Electron Microscopy (TEM), Energy Dispersive Spectroscopy (EDS) and Super Conducting Quantum Interference Device (SQUID).

Keywords: cobalt chromium ferrite, colloidal, hot injection thermolysis, monodisperse, reaction time, single source precursor, quaternary ferrite nanoparticles

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Authors: Rana Muhammad Armaghan Ayaz, Yigit Uysallı, Nima Bavili, Berna Morova, Alper Kiraz

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Traditional optical methods for example resonance wavelength shift and cavity ring-down spectroscopy used for material detection and sensing have disadvantages, for example, less resistance to laser noise, temperature fluctuations and extraction of the required information can be a difficult task like ring downtime in case of cavity ring-down spectroscopy. Phase shift cavity ring down spectroscopy is not only easy to use but is also capable of overcoming the said problems. This technique compares the phase difference between the signal coming out of the cavity with the reference signal. Detection of any material is made by the phase difference between them. By using this technique, air, water, and isopropyl alcohol can be recognized easily. This Methodology has far-reaching applications and can be used in air pollution detection, human breath analysis and many more.

Keywords: materials, noise, phase shift, resonance wavelength, sensitivity, time domain approach

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Authors: Wajahat Hussain Khan, M. Zubair Akbar Qureshi

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The viscous, two-dimensional, incompressible, and laminar time-dependent heat transfer flow through a ferromagnetic fluid is considered in this paper. Flow takes place in a channel between two porous walls under the influence of the magnetic field located beyond the channel. It is assumed that there are no electric field effects and the variation in the magnetic field vector that could occur within the F

Keywords: hybrid ferrofluid, heat transfer, magnetic field, porous channel

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Authors: Naima Benachour, Sabiha Chouchane, J. Paul Chopart

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The objective of this work is to determine the appropriate conditions for a Ni-Zn deposit with good nickel content. The electrodeposition of zinc-nickel on a stainless steel is carried out in a chlorinated bath NiCl2.6H2O, ZnCl2, and H3BO3), whose composition is 1.1 M; 1.8 M; 0.1 M respectively. Studies show the effect of the concentration of NH4Cl, which reveals a significant effect on the reduction and ion transport in the electrolyte. In order to highlight the influence of magnetic field on the chemical composition and morphology of the deposit, chronopotentiometry tests were conducted, the curves obtained inform us that the application of a magnetic field promotes stability of the deposit. Characterization developed deposits was performed by scanning electron microscopy coupled with EDX and specified by the X-ray diffraction.

Keywords: Zn-Ni alloys, electroplating, magnetic field, chronopotentiometry

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Authors: Osman Adiguzel

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Shape-memory alloys are a new class of functional materials with a peculiar property known as shape memory effect. These alloys return to a previously defined shape on heating after deformation in low temperature product phase region and take place in a class of functional materials due to this property. The origin of this phenomenon lies in the fact that the material changes its internal crystalline structure with changing temperature. Shape memory effect is based on martensitic transitions, which govern the remarkable changes in internal crystalline structure of materials. Martensitic transformation, which is a solid state phase transformation, occurs in thermal manner in material on cooling from high temperature parent phase region. This transformation is governed by changes in the crystalline structure of the material. Shape memory alloys cycle between original and deformed shapes in bulk level on heating and cooling, and can be used as a thermal actuator or temperature-sensitive elements due to this property. Martensitic transformations usually occur with the cooperative movement of atoms by means of lattice invariant shears. The ordered parent phase structures turn into twinned structures with this movement in crystallographic manner in thermal induced case. The twinned martensites turn into the twinned or oriented martensite by stressing the material at low temperature martensitic phase condition. The detwinned martensite turns into the parent phase structure on first heating, first cycle, and parent phase structures turn into the twinned and detwinned structures respectively in irreversible and reversible memory cases. On the other hand, shape memory materials are very important and useful in many interdisciplinary fields such as medicine, pharmacy, bioengineering, metallurgy and many engineering fields. The choice of material as well as actuator and sensor to combine it with the host structure is very essential to develop main materials and structures. Copper based alloys exhibit this property in metastable beta-phase region, which has bcc-based structures at high temperature parent phase field, and these structures martensitically turn into layered complex structures with lattice twinning following two ordered reactions on cooling. Martensitic transition occurs as self-accommodated martensite with inhomogeneous shears, lattice invariant shears which occur in two opposite directions, <110 > -type directions on the {110}-type plane of austenite matrix which is basal plane of martensite. This kind of shear can be called as {110}<110> -type mode and gives rise to the formation of layered structures, like 3R, 9R or 18R depending on the stacking sequences on the close-packed planes of the ordered lattice. In the present contribution, x-ray diffraction and transmission electron microscopy (TEM) studies were carried out on two copper based alloys which have the chemical compositions in weight; Cu-26.1%Zn 4%Al and Cu-11%Al-6%Mn. X-ray diffraction profiles and electron diffraction patterns reveal that both alloys exhibit super lattice reflections inherited from parent phase due to the displacive character of martensitic transformation. X-ray diffractograms taken in a long time interval show that locations and intensities of diffraction peaks change with the aging time at room temperature. In particular, some of the successive peak pairs providing a special relation between Miller indices come close each other.

Keywords: Shape memory effect, martensite, twinning, detwinning, self-accommodation, layered structures

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Authors: Namhyun An, Byungho Lee, Hwauk Lee, Youngmin Lee, Deuk Young Kim, Sejoon Lee

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In this study, the Cr-doped ZnO thin films have been deposited by reactive magnetron sputtering method with different Cr-contents (1.0at.%, 2.5at.% and 12.5at.%) and their ferromagnetic properties have been characterized. All films revealed clear ferromagnetism above room temperature. However, the spontaneous magnetization of the films was observed to depend on the Cr contents in the films. Namely, the magnitude of effective magnetic moment (per each Cr ion) was exponentially decreased with increasing the Cr contents. We attributed the decreased spontaneous magnetization to the degraded crystal magnetic anisotropy. In other words, we found out that the high concentration of magnetic ions causes the lattice distortion in the magnetic ion-doped thin film, and it consequently degrades ferromagnetic channeling in the solid-state material system.

Keywords: Cr-doped ZnO, ferromagnetic properties, magnetization, sputtering, thin film

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Authors: А. V. Panko, Е. V. Ablets, I. G. Kovzun, М. А. Ilyashov

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Based upon generalized analysis of modern know-how in the sphere of processing, concentration and purification of iron-ore raw materials (IORM), in particular, the most widespread ferrioxide-silicate materials (FOSM), containing impurities of phosphorus and other elements compounds, noted special role of nano technological initiatives in improvement of such processes. Considered ideas of role of nano particles in processes of FOSM carbonization with subsequent direct reduction of ferric oxides contained in them to metal phase, as well as in processes of alkali treatment and separation of powered iron from phosphorus compounds. Using the obtained results the wasteless solid-phase processing, concentration and purification of IORM and FOSM from compounds of phosphorus, silicon and other impurities excelling known methods of direct iron reduction from iron ores and metallurgical slimes.

Keywords: iron ores, solid-phase reduction, nanoparticles in reduction and purification of iron from silicon and phosphorus, wasteless method of ores processing

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Authors: Maha Salman, Gada Al-Nuwaibit

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The effect of anti-scale magnetic method (AMM) in retarding scaling deposition is confirmed by many researchers, to result in new crystal morphology, the crystal which has the tendency to remain suspended more than precipitated. AMM is considered as an economic method when compared to other common methods used for scale prevention in desalination plant as acid treatment and addition of antiscalant. The current project was initiated to evaluate the effectiveness of AMM in preventing calcium carbonate scaling. The AMM was tested at different flow velocities (1.0, 0.5, 0.3, 0.1, and 0.003 m/s), different operating temperatures (50, 70, and 90°C), different feed pH and different magnetic field strength. The results showed that AMM was effective in retarding calcium carbonate scaling deposition, and the performance of AMM depends strongly on the flow velocity. The scaling retention time was found to be affected by the operating temperatures, flow velocity, and magnetic strength (MS), and in general, it was found that as the operating temperatures increased the effectiveness of the AMM in retarding calcium carbonate (CaCO₃) scaling increased.

Keywords: magnetic treatment, field strength, flow velocity, magnetic scale retention time

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Authors: J. C. M. Santos, J. C. A. Sousa, A. J. Rubio, L. S. Soletti, F. Gasparotto, N. U. Yamaguchi

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Magnetic graphene has received widespread attention for their capability of water and wastewater treatment, which has been attracted many researchers in this field. A bibliometric analysis based on the Web of Science database was employed to analyze the global scientific outputs of magnetic graphene for water treatment until the present time (2012 to 2017), to improve the understanding of the research trends. The publication year, place of publication, institutes, funding agencies, journals, most cited articles, distribution outputs in thematic categories and applications were analyzed. Three major aspects analyzed including type of pollutant, treatment process and composite composition have further contributed to revealing the research trends. The most relevant research aspects of the main technologies using magnetic graphene for water treatment were summarized in this paper. The results showed that research on magnetic graphene for water treatment goes through a period of decline that might be related to a saturated field and a lack of bibliometric studies. Thus, the result of the present work will lead researchers to establish future directions in further studies using magnetic graphene for water treatment.

Keywords: composite, graphene oxide, nanomaterials, scientometrics

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Authors: Petter Eklund, Jonathan Sjölund, Sandra Eriksson, Mats Leijon

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The spoke type rotor can be used to obtain magnetic flux concentration in permanent magnet machines. This allows the air gap magnetic flux density to exceed the remanent flux density of the permanent magnets but gives problems with leakage fluxes in the magnetic circuit. The end leakage flux of one spoke type permanent magnet rotor design is studied through measurements and finite element simulations. The measurements are performed in the end regions of a 12 kW prototype generator for a vertical axis wind turbine. The simulations are made using three dimensional finite elements to calculate the magnetic field distribution in the end regions of the machine. Also two dimensional finite element simulations are performed and the impact of the two dimensional approximation is studied. It is found that the magnetic leakage flux in the end regions of the machine is equal to about 20% of the flux in the permanent magnets. The overestimation of the performance by the two dimensional approximation is quantified and a curve-fitted expression for its behavior is suggested.

Keywords: end effects, end leakage flux, permanent magnet machine, spoke type rotor

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Authors: Mihai I. Sturza, Laura T. Corredor, Kaustuv Manna, Gizem A. Cansever, Tushar Dey, Andrey Maljuk, Olga Kataeva, Sabine Wurmehl, Anja Wolter, Bernd Buchner

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Recently, the iridate double perovskite Sr₂YIrO₆ has attracted considerable attention due to the report of unexpected magnetism in this Ir⁵⁺ material, in which according to the Jeff model, a non-magnetic ground state is expected. Structural, magnetic and thermodynamic investigations of Sr₂YIrO₆ and Ba2YIrO6 single crystals, with emphasis on the temperature and magnetic field dependence of the specific heat will be presented. The single crystals were grown by using SrCl₂ and BaCl₂ as flux. Single-crystal X-ray diffraction measurements performed on several crystals from different preparation batches showed a high quality of the crystals, proven by the good internal consistency of the data collected using the full-sphere mode and an extremely low R factor. In agreement with the expected non-magnetic ground state of Ir⁵⁺ (5d4) in these iridates, no magnetic transition is observed down to 430 mK. Moreover, our results suggest that the low-temperature anomaly observed in the specific heat is not related to the onset of long-range magnetic order. Instead, it is identified as a Schottky anomaly caused by paramagnetic impurities present in the sample, of the order of

Keywords: double perovskites, iridates, self-flux grown synthesis, spin-orbit coupling

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Authors: Nazri Kama, Sufyan Basri, Roslina Ibrahim

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It is important to manage the changes in the software to meet the evolving needs of the customer. Accepting too many changes causes delay in the completion and it incurs additional cost. One type of information that helps to make the decision is through change impact analysis. Current impact analysis approaches assume that all classes in the class artifact are completely developed and the class artifact is used as a source of analysis. However, these assumptions are impractical for impact analysis in the software development phase as some classes in the class artifact are still under development or partially developed that leads to inaccuracy. This paper presents a novel impact analysis approach to be used in the software development phase. The significant achievements of the approach are demonstrated through an extensive experimental validation using three case studies.

Keywords: software development, impact analysis, traceability, static analysis.

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Authors: Ahmed Mozamel, Kemal Yildizli

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Due to mechanical energy losses and a competitive of minimizing these losses and increases the machine efficiency, the need for contactless gearing system has raised. In this work, one stage of mechanical planetary gear transmission system integrated with one stage of magnetic planetary gear system is designed as a two-stage hybrid gearbox system. The permanent magnets internal energy in the form of the magnetic field is used to create meshing between contactless magnetic rotors in order to provide self-system protection against overloading and decrease the mechanical loss of the transmission system by eliminating the friction losses. Classical methods, such as analytical, tabular method and the theory of elasticity are used to calculate the planetary gear design parameters. The finite element method (ANSYS Maxwell) is used to predict the behaviors of a magnetic gearing system. The concentric magnetic gearing system has been modeled and analyzed by using 2D finite element method (ANSYS Maxwell). In addition to that, design and manufacturing processes of prototype components (a planetary gear, concentric magnetic gear, shafts and the bearings selection) of a gearbox system are investigated. The output force, the output moment, the output power and efficiency of the hybrid gearbox system are experimentally evaluated. The viability of applying a magnetic force to transmit mechanical power through a non-contact gearing system is presented. The experimental test results show that the system is capable to operate continuously within the range of speed from 400 rpm to 3000 rpm with the reduction ratio of 2:1 and maximum efficiency of 91%.

Keywords: hybrid gearbox, mechanical gearboxes, magnetic gears, magnetic torque

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Authors: Jayashree Das, V. V. Srinivasu , D. K. Mishra, A. Maity

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Owing to the important potential applications over decades, transition metal (TM: Mn, Fe, Ni, Cu, Cr, V etc.) doped ZnO-based diluted magnetic semiconductors (DMS) always attract research attention for more and newer investigations. One of the interesting aspects of these materials is to study and understand the magnetic property at room temperature properly, which is very crucial to select a material for any related application. In this regard, Electron spin resonance (ESR) study has been proven to be a powerful technique to investigate the spin dynamics of electrons inside the system, which are responsible for the magnetic behaviour of any system. ESR as well as the Raman and Photoluminescence spectroscopy studies are also helpful to study the defects present or created inside the system in the form of oxygen vacancy or cluster instrumental in determining the room temperature ferromagnetic property of transition metal doped ZnO system, which can be controlled through varying dopant concentration, appropriate synthesis technique and sintering of the samples. For our investigation, we synthesised Cu-doped ZnO nanocrystalline samples with composition Zn1-xCux ( 0.005< x < 0.05) by pyrophoric method and sintered at a low temperature of 650 0C. The microwave absorption is studied by the Electron Spin Resonance (ESR) of X-band (9.46 GHz) at room temperature. Systematic analysis of the obtained ESR spectra reveals that all the compositions of Cu-doped ZnO samples exhibit resonance signals of appreciable line widths and g value ~ 2.2, typical characteristic of ferromagnetism in the sample. Raman scattering and the photoluminescence study performed on the samples clearly indicated the presence of pronounced defect related peaks in the respective spectra. Cu doping in ZnO with varying concentration also observed to affect the optical band gap and the respective absorption edges in the UV-Vis spectra. FTIR spectroscopy reveals the Cu doping effect on the stretching bonds of ZnO. To probe into the structural and morphological changes incurred by Cu doping, we have performed XRD, SEM and EDX study, which confirms adequate Cu substitution without any significant impurity phase formation or lattice disorder. With proper explanation, we attempt to correlate the results observed for the structural optical and magnetic behaviour of the Cu-doped ZnO samples. We also claim that our result can be instrumental for appropriate applications of transition metal doped ZnO based DMS in the field of optoelectronics and Spintronics.

Keywords: diluted magnetic semiconductors, electron spin resonance, raman scattering, spintronics.

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Authors: Mohammad Z. Ansari, Lisa Brodie, Marilyn Goh

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Change facilitators are individuals who utilize change philosophy to make a positive change to organizations. The application of change facilitators can be seen in various change models; Lewin, Lippitt, etc. The facilitators within numerous change models are considered as internal/external consultants. Whilst most of the scholarly paper considers change facilitation as a consensus attempt to improve organization, there is a lack of a framework that develops both the organization and the change facilitator creating a self-sustaining change environment. This research paper introduces the development of the framework for change Leaders, Planners, and Executers (LPE), aiming at various organizational levels (Process, Departmental, and Organisational). The LPE framework is derived by exploring interrelated characteristics between facilitator(s) and the organization through qualitative research for understanding change management techniques and facilitator(s) behavioral aspect from existing Change Management models and Organisation behavior works of literature. The introduced framework assists in highlighting and identify the most appropriate change team to successfully deliver the change initiative within any organization (s).

Keywords: change initiative, LPE framework, change facilitator(s), sustainable change

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Authors: Nanxi Miao, Junjie Wang

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The discovery of 2D materials with distinct compositions and properties has been a research aim since the report of graphene. One of the latest members of the 2D material family is MXene, which is produced from the topochemical deintercalation of the A layer from a laminate MAX phase. Recently, analogous 2D MBenes (transitional metal borides) have been predicted by theoretical calculations as excellent alternatives in applications such as metal-ion batteries, magnetic devices, and catalysts. However, the practical applications of two-dimensional (2D) transition-metal borides (MBenes) have been severely hindered by the lack of accessible MBenes because of the difficulties in the selective etching of traditional ternary MAB phases with orthorhombic symmetry (ort-MAB). Here, we discover a family of ternary hexagonal MAB (h-MAB) phases and 2D hexagonal MBenes (h-MBenes) by ab initio predictions and experiments. Calculations suggest that the ternary h-MAB phases are more suitable precursors for MBenes than the ort-MAB phases. Based on the prediction, we report the experimental synthesis of h-MBene HfBO by selective removal of in from h-MAB Hf2InB2. The synthesized 2D HfBO delivered a specific capacity of 420 mAh g-1 as an anode material in lithium-ion batteries, demonstrating the potential for energy-storage applications. The discovery of this h-MBene HfBO added a new member to the growing family of 2D materials and provided opportunities for a wide range of novel applications.

Keywords: 2D materials, DFT calculations, high-throughput screening, lithium-ion batteries

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Authors: Asma Poursoroush

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Solid-supported lipid bilayers are often used as a simple model for studies of biological membranes. The presence of a solid substrate that interacts attractively with lipid head-groups is expected to affect the phase behavior of the supported bilayer. Molecular dynamics simulations of a coarse-grained model are thus performed to investigate the phase behavior of supported one-component lipid bilayer membranes. Our results show that the attraction of the lipid head groups to the substrate leads to a phase behavior that is different from that of a free standing lipid bilayer. In particular, we found that the phase behaviors of the two leaflets are decoupled in the presence of a substrate. The proximal leaflet undergoes a clear gel-to-fluid phase transition at a temperature lower than that of a free standing bilayer, and that decreases with increasing strength of the substrate-lipid attraction. The distal leaflet, however, undergoes a change from a homogeneous liquid phase at high temperatures to a heterogeneous state consisting of small liquid and gel domains, with the average size of the gel domains that increases with decreasing temperature. While the chain order parameter of the proximal leaflet clearly shows a gel-fluid phase transition, the chain order parameter of the distal leaflet does not exhibit a clear phase transition. The decoupling in the phase behavior of the two leaflets is due to a non-symmteric lipid distribution in the two leaflets resulting from the presence of the substrate.

Keywords: membrane, substrate, molecular dynamics, simulation

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Authors: M. Muneer, Waseem Raza

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Nano-crystalline materials of pure and metal-doped semiconducting materials have been successfully synthesized using sol gel and hydrothermal methods. The prepared materials were characterized by standard analytical techniques, i.e., XRD, SEM, EDX, UV–vis Spectroscopy and FTIR. The (XRD) analysis showed that the obtained particles are present in partial crystalline nature and exhibit no other impurity phase. The EDX and (SEM) images depicted that metals have been successfully loaded on the surface of the semiconductor. FTIR showed an additional absorption band at 910 cm−1, characteristic of absorption band indicating the incorporation of dopant into the lattice in addition to a broad and strong absorption band in the region of 410–580 cm−1 due to metal–O stretching. The UV–vis absorption spectra of synthesized particles indicate that the doping of metals into the lattice shift the absorption band towards the visible region. Thermal analysis, measurement of the synthesized sample showed that the thermal stability of pure semiconducting material is decreased due to increase in dopant concentration. The photocatalytic activity of the synthesized particles was studied by measuring the change in concentration of three different chromophoric dyes as a function of irradiation time. The photocatalytic activity of doped materials were found to increase with increase in dopant concentration.

Keywords: photocatalysis, metal doped semicondcutors, dye degradation, visible light active materials

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Authors: A. Shahsavar, Z. Jakub

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Due to the outstanding properties of the 2D metal-organic frameworks (MOF), intensive computational and experimental studies have been done. However, the lack of fundamental studies of MOFs on the graphene backbone is observed. This work studies Fe and Ni as metal and tetracyanoquinodimethane (TCNQ) with a high electron affinity as an organic linker functionalized on graphene. Here we present DFT calculations results to unveil the electronic and magnetic properties of iron and nickel-TCNQ physisorbed on graphene. Adsorption and Fermi energies, structural, and magnetic properties will be reported. Our experimental observations prove Fe- and NiTCNQ@Gr/Ir(111) are thermally highly stable up to 500 and 250°C, respectively, making them promising materials for single-atom catalysts or high-density storage media.

Keywords: DFT, graphene, MTCNQ, self-assembly

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Authors: A. Abada, S. Hiadsi, T. Ouahrani, B. Amrani, K. Amara

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Using the first-principles full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method based on density functional theory (DFT), we have investigated the electronic structure and magnetism of some Co2- based full Heusler alloys, namely Co2ZrGe and Co2NbB. The calculations show that these compounds are to be half-metallic ferromagnets (HMFs) with a total magnetic moment of 2.000 µB per formula unit, well consistent with the Slater-Pauling rule. Our calculations show indirect band gaps of 0.58 eV and 0.47 eV in the minority spin channel of density of states (DOS) for Co2ZrGe and Co2NbB, respectively. Analysis of the DOS and magnetic moments indicates that their magnetism is mainly related to the d-d hybridization between the Co and Zr (or Nb) atoms. The half metallicity is found to be robust against volume changes and the two alloys kept a 100% of spin polarization at the Fermi level. In addition, an atom inside molecule AIM formalism and an electron localization function ELF were also adopted to study the bonding properties of these compounds, building a bridge between their electronic and bonding behavior. As they have a good crystallographic compatibility with the lattice of semiconductors used industrially and negative calculated cohesive energies with considerable absolute values these two alloys could be promising magnetic materials in the spintronics field.

Keywords: half-metallic ferromagnets, full Heusler alloys, magnetic properties, electronic properties

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Authors: Anna Jastrzebska, K. S. Suresh, T. Kitashima, Y. Yamabe-Mitarai, Z. Pakiela

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Near α titanium alloys are important materials for aerospace applications, especially in high temperature applications such as jet engine. Mechanical properties of Ti alloys strongly depends on their processing route, then it is very important to understand micro-structure change by different processing. In our previous study, Nb was found to improve oxidation resistance of Ti alloys. In this study, micro-structure evolution of Ti-6Al-4Nb (wt %) alloy was investigated after plain strain compression test in hot working temperatures in the α and β phase region. High-resolution EBSD was successfully used for precise phase and texture characterization of this alloy. 1.1 kg of Ti-6Al-4Nb ingot was prepared using cold crucible levitation melting. The ingot was subsequently homogenized in 1050 deg.C for 1h followed by cooling in the air. Plate like specimens measuring 10×20×50 mm3 were cut from an ingot by electrical discharge machining (EDM). The plain strain compression test using an anvil with 10 x 35 mm in size was performed with 3 different strain rates: 0.1s-1, 1s-1and 10s-1 in 700 deg.C and 1050 deg.C to obtain 75% of deformation. The micro-structure was investigated by scanning electron microscopy (SEM) equipped with electron backscatter diffraction (EBSD) detector. The α/β phase ratio and phase morphology as well as the crystallographic texture, subgrain size, misorientation angles and misorientation gradients corresponding to each phase were determined over the middle and the edge of sample areas. The deformation mechanism in each working temperature was discussed. The evolution of texture changes with strain rate was investigated. The micro-structure obtained by plain strain compression test was heterogeneous with a wide range of grain sizes. This is because deformation and dynamic recrystallization occurred during deformation at temperature in the α and β phase. It was strongly influenced by strain rate.

Keywords: EBSD, plain strain compression test, Ti alloys

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Authors: Wojciech Grochala

Abstract:

AgF2 is an important two-dimensional antiferromagnet and an analogue of [CuO2]2– sheet. However, the strength of magnetic superexchange as well as magnetic dimensionality have not been explored before . Here we report our recent Raman and neutron scattering experiments which led to better understanding of the magnetic properties of the title compound. It turns out that intra-sheet magnetic superexchange constant reaches 70 meV, thus some 2/3 of the value measured for parent compounds of oxocuprate superconductors which is over 100 meV. The ratio of intra-to-inter-sheet superexchange constants is of the order of 102 rendering AgF2 a quasi-2D material, similar to the said oxocuprates. The quantum mechanical calculations reproduce the abovementioned values quite well and they point out to substantial covalence of the Ag–F bonding. After 3 decades of intense research on layered oxocuprates, AgF2 now stands as a second-to-none analogue of these fascinating systems. It remains to be seen whether this 012 parent compound may be doped in order to achieve superconductivity.

Keywords: antiferromagnets, superexchange, silver, fluorine

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Authors: Duygu Çimen, Nilay Bereli, Adil Denizli

Abstract:

In this study is to synthesis magnetic nanoparticles for purify protein C. For this aim, N-Methacryloyl-(L)-histidine methyl ester (MAH) containing 2-hydroxyethyl methacrylate (HEMA) based magnetic nanoparticles were synthesized by using micro-emulsion polymerization technique for templating protein C via metal chelation. The obtained nanoparticles were characterized with Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), zeta-size analysis and electron spin resonance (ESR) spectroscopy. After that, they were used for protein C purification from aqueous solution to evaluate/optimize the adsorption condition. Hereby, the effecting factors such as concentration, pH, ionic strength, temperature, and reusability were evaluated. As the last step, protein C was determined with sodium dodecyl sulfate-polyacrylamide gel electrophoresis.

Keywords: immobilized metal affinity chromatography (IMAC), magnetic nanoparticle, protein C, hydroxyethyl methacrylate (HEMA)

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Authors: K. Yu Vlasova, M. A. Abakumov, H. Wishwarsao, M. Sokolsky, N. V. Nukolova, A. G. Majouga, Y. I. Golovin, N. L. Klyachko, A. V. Kabanov

Abstract:

Introduction:Nowadays pharmaceutical medicine is aimed to create systems for combined therapy, diagnostic, drug delivery and controlled release of active molecules to target cells. Magnetic nanoparticles (MNPs) are used to achieve this aim. MNPs can be applied in molecular diagnostics, magnetic resonance imaging (T1/T2 contrast agents), drug delivery, hyperthermia and could improve therapeutic effect of drugs. The most common drug containers, containing MNPs, are liposomes, micelles and polymeric molecules bonded to the MNPs surface. Usually superparamagnetic nanoparticles are used (the general diameter is about 5-6 nm) and all effects of high frequency magnetic field (MF) application are based on Neel relaxation resulting in heating of surrounded media. In this work we try to develop a new method to improve drug release from MNPs under super low frequency MF. We suppose that under low frequency MF exposures the Brown’s relaxation dominates and MNPs rotation could occur leading to conformation changes and release of bioactive molecules immobilized on MNPs surface.The aim of this work was to synthesize different systems with active drug (biopolymers coated MNPs nanoclusters with immobilized enzymes and doxorubicin (Dox) loaded magnetic liposomes/micelles) and investigate the effect of super low frequency MF on these drug containers. Methods: We have synthesized MNPs of magnetite with magnetic core diameter 7-12 nm . The MNPs were coated with block-copolymer of polylysine and polyethylene glycol. Superoxide dismutase 1 (SOD1) was electrostatically adsorbed on the surface of the clusters. Liposomes were prepared as follow: MNPs, phosphatidylcholine and cholesterol were dispersed in chloroform, dried to get film and then dispersed in distillated water, sonicated. Dox was added to the solution, pH was adjusted to 7.4 and excess of drug was removed by centrifugation through 3 kDa filters. Results: Polylysine coated MNPs formed nanosized clusters (as observed by TEM) with intensity average diameter of 112±5 nm and zeta potential 12±3 mV. After low frequency AC MF exposure we observed change of immobilized enzyme activity and hydrodynamic size of clusters. We suppose that the biomolecules (enzymes) are released from the MNPs surface followed with additional aggregation of complexes at the MF in medium. Centrifugation of the nanosuspension after AC MF exposures resulted in increase of positive charge of clusters and change in enzyme concentration in comparison with control sample without MF, thus confirming desorption of negatively charged enzyme from the positively charged surface of MNPs. Dox loaded magnetic liposomes had average diameter of 160±8 nm and polydispersity index (PDI) 0.25±0.07. Liposomes were stable in DW and PBS at pH=7.4 at 370C during a week. After MF application (10 min of exposure, 50 Hz, 230 mT) diameter of liposomes raised to 190±10 nm and PDI was 0.38±0.05. We explain this by destroying and/or reorganization of lipid bilayer, that leads to changes in release of drug in comparison with control without MF exposure. Conclusion: A new application of low frequency AC MF for drug delivery and controlled drug release was shown. Investigation was supported by RSF-14-13-00731 grant, K1-2014-022 grant.

Keywords: magnetic nanoparticles, low frequency magnetic field, drug delivery, controlled drug release

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Authors: Tugba Gurler, Irfan Kurtbas

Abstract:

Roof influences considerably energy demand of buildings. In order to reduce this energy demand, various solutions have been proposed, such as roofs with variable thermal insulation, cool roofs, green roofs, heat exchangers and ventilated roofs, and phase change material (PCM) layered roofs. PCMs suffer from relatively low thermal conductivity despite of their promise of the energy-efficiency initiatives for thermal energy storage (TES). This study not only presents the thermal performance of the concrete roof with PCM layers but also evaluates the products with different design configurations and thicknesses under Central Anatolia Region, Turkey and Nottinghamshire, UK weather conditions. System design limitations and proposed prediction models are discussed in this study. A two-dimensional numerical model has been developed, and governing equations have been solved at each time step. Upper surfaces of the roofs have been modelled with heat flux conditions, while lower surfaces of the roofs with boundary conditions. In addition, suitable roofs have been modeled under symmetry boundary conditions. The results of the designed concrete roofs with PCM layers have been compared with common concrete roofs in Turkey. The UK and the numerical modeling results have been validated with the data given in the literature.

Keywords: phase change material, regional energy demand, roof layers, thermal energy storage

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Authors: Ting Pan, Jiacheng Wang, Pengcheng Lin, Ying Chen, Songping Mo

Abstract:

Phase change materials (PCMs) are widely used in latent heat thermal energy storage because of their good properties such as high energy storage density and constant heat-storage/release temperature. Microencapsulation techniques can prevent PCMs from leaking during the liquid-solid phase transition and enhance thermal properties. This technique has been widely applied in architectural materials, thermo-regulated textiles, aerospace fields, etc. One of the most important processes during the synthesis of microcapsules is to form a stable emulsion of the PCM core and reactant solution for the formation of the shell of the microcapsules. The use of surfactants is usually necessary for the formation of a stable emulsion system because of the difference in hydrophilia/lipophilicity of the PCM and the solvent. Unfortunately, the use of surfactants may cause pollution to the environment. In this study, modified kaolinite was used as an emulsion stabilizer for the microencapsulation of octodecane as PCM. Microcapsules were synthesized by phase inversion emulsification method, and the shell of polymethyl methacrylate (PMMA) was formed through free radical polymerization. The morphologies, crystalloid phase, and crystallization properties of microcapsules were investigated using scanning electron microscopy (SEM), X-ray diffractometer (XRD), and Fourier transforms infrared spectrometer (FTIR). The thermal properties and thermal stability were investigated by a differential scanning calorimeter (DSC) and a thermogravimetric analyzer (TG). The FT-IR, XRD results showed that the octodecane was well encapsulated in the PMMA shell. The SEM results showed that the microcapsules were spheres with an average size of about 50-100nm. The DSC results indicated that the latent heat of the microcapsules was 152.64kJ/kg and 164.23kJ/kg. The TG results confirmed that the microcapsules had good thermal stability due to the PMMA shell. Based on the results, it can be concluded that the modified kaolinite can be used as an emulsifier for the synthesis of PCM microcapsules, which is valid for reducing part of the possible pollution caused by the utilization of surfactants.

Keywords: kaolinite, microencapsulation, PCM, thermal energy storage

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