Search results for: quantitative Nuclear Magnetic Resonance

Authors: Dong Wook Lee, Adrian Mistreanu

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The authors have studied a method for analyzing containment and penetration using an explicit nonlinear Finite Element Analysis. This method may be used in the stage of concept design for the protection of external configurations or components of aircraft engines and nuclear power plant structures. This paper consists of the modeling method, the results obtained from the method and the comparison of the results with those calculated from simple analytical method. It shows that the containment capability obtained by proposed method matches well with analytically calculated containment capability.

Keywords: computer aided engineering, containment analysis, finite element analysis, impact analysis, penetration analysis

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

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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

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Authors: Kashif Nadeem, W. Zhang, X. G. Qiu

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Role of Co spins in CaCo2As2 single crystal is systematically studied by using dc magnetization and magnetic torque measurements. A spin-flop transition in the antiferromagnetism (AFM) CaCo2As2 single crystal is studied by using dc magnetization and magnetic torque. Field dependent and angle dependent torque magnetometry confirmed the existence of spin-flop transition in this compound which is in agreement with the dc magnetization studies. A comparison of dc magnetization and torque magnetometry measurements for CaCo2As2 single crystal is done in detail. In conclusion, torque magnetometry can be a useful tool to study the spin flop transition in low anisotropic compounds analogous to dc magnetization studies.

Keywords: spin flop transition, torque magnetometry, magnetization, anisotropic

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Authors: Amr S. Fahil, Eman Ghoneim

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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

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Authors: Parviz Abadi

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Leadership is a key driver in organizational achievement. The research presented herein intends on providing the tools for assessing Divine Leadership, which imperative in quantitative evaluations of a leadership. The effectiveness of this leadership has never been examined. There are various tests that can be applied to this leadership, such as evaluation of it against follower motivation, or the impact it has on organizational success, etc. One of the common means of evaluation of a phenomenon is to conduct a quantitative study on the hypothesis related to the subject. The dimensions enacted in this leadership consisted of Humility, Integrity, Empowerment, Altruism, and Visionary. However, these elements of the construct of leadership are latent subjects and cannot easily be assessed. Therefore, it is necessary to develop tangible items that can relate to the construct. The study presented herein was conducted to develop the scales that were tangible and could have been applied in a quantitative study to assess this leadership. The study led to generating a detailed questionnaire, which consisted of 40 questions, that could be presented to participants in the survey.

Keywords: leadership, management, scale development, organizations

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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

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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

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Authors: Marcin Zieliński, Marcin Dębowski, Mirosław Krzemieniewski

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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

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Authors: F. Sallem, B. Dahhou, A. Kamoun

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In this work, the main problem considered is the detection and the isolation of the actuator fault. A new formulation of the linear system is generated to obtain the conditions of the actuator fault diagnosis. The proposed method is based on the representation of the actuator as a subsystem connected with the process system in cascade manner. The designed formulation is generated to obtain the conditions of the actuator fault detection and isolation. Detectability conditions are expressed in terms of the invertibility notions. An example and a comparative analysis with the classic formulation illustrate the performances of such approach for simple actuator fault diagnosis by using the linear model of nuclear reactor.

Keywords: actuator fault, Fault detection, left invertibility, nuclear reactor, observability, parameter intervals, system inversion

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Authors: Ari S. Prabowo, Nia Febriyanti, Haryono B. Santosa

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Security function that is called as Physical Protection Systems (PPS) has functions to detect, delay and response. Physical Protection Systems (PPS) in Detection and Radiation Measurement Laboratory needs to be improved continually by using internal resources. The nuclear security culture provides some potentials to support this research. The study starts by identifying the security function’s weaknesses and its strengths of security culture as a purpose. Secondly, the strengths of security culture are implemented in the laboratory management. Finally, a simulation was done to measure its effectiveness. Some changes were happened in laboratory personnel behaviors and procedures. All became more prudent. The results showed a good influence of nuclear security culture in laboratory security functions.

Keywords: laboratory, physical protection system, security culture, security function

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Authors: J. R. Wang, H. C. Chen, C. Shih, S. W. Chen, J. H. Yang, Y. Chiang

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In this study, we focus on the establishment of the analysis model for Maanshan PWR nuclear power plant (NPP) by using RADTRAD and SNAP codes with the FSAR, manuals, and other data. In order to evaluate the cumulative dose at the Exclusion Area Boundary (EAB) and Low Population Zone (LPZ) outer boundary, Maanshan NPP RADTRAD/SNAP model was used to perform the analysis of the DBA LOCA case. The analysis results of RADTRAD were similar to FSAR data. These analysis results were lower than the failure criteria of 10 CFR 100.11 (a total radiation dose to the whole body, 250 mSv; a total radiation dose to the thyroid from iodine exposure, 3000 mSv).

Keywords: RADionuclide, transport, removal, and dose estimation (RADTRAD), symbolic nuclear analysis package (SNAP), dose, PWR

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Authors: Emma Castiglioni, Nigel Scrutton, Derren Heyes, Alistair Fielding

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By using light as trigger, it is possible to study many biological processes, such as the activity of genes, proteins, and other molecules, with precise spatiotemporal control. Caged compounds, where biologically active molecules are generated from an inert precursor upon laser photolysis, offer the potential to initiate such biological reactions with high temporal resolution. As light acts as the trigger for cleaving the protecting group, the ‘caging’ technique provides a number of advantages as it can be intracellular, rapid and controlled in a quantitative manner. We are developing caging strategies to study the catalytic cycle of a number of enzyme systems, such as nitric oxide synthase and ethanolamine ammonia lyase. These include the use of caged substrates, caged electrons and the possibility of caging the enzyme itself. In addition, we are developing a novel freeze-quench instrument to study these reactions, which combines rapid mixing and flashing capabilities. Reaction intermediates will be trapped at low temperatures and will be analysed by using electron paramagnetic resonance (EPR) spectroscopy to identify the involvement of any radical species during catalysis. EPR techniques typically require relatively long measurement times and very often, low temperatures to fully characterise these short-lived species. Therefore, common rapid mixing techniques, such as stopped-flow or quench-flow are not directly suitable. However, the combination of rapid freeze-quench (RFQ) followed by EPR analysis provides the ideal approach to kinetically trap and spectroscopically characterise these transient radical species. In a typical RFQ experiment, two reagent solutions are delivered to the mixer via two syringes driven by a pneumatic actuator or stepper motor. The new mixed solution is then sprayed into a cryogenic liquid or surface, and the frozen sample is then collected and packed into an EPR tube for analysis. The earliest RFQ instrument consisted of a hydraulic ram unit as a drive unit with direct spraying of the sample into a cryogenic liquid (nitrogen, isopentane or petroleum). Improvements to the RFQ technique have arisen from the design of new mixers in order to reduce both the volume and the mixing time. In addition, the cryogenic isopentane bath has been coupled to a filtering system or replaced by spraying the solution onto a surface that is frozen via thermal conductivity with a cryogenic liquid. In our work, we are developing a novel RFQ instrument which combines the freeze-quench technology with flashing capabilities to enable the studies of both thermally-activated and light-activated biological reactions. This instrument also uses a new rotating plate design based on magnetic couplings and removes the need for mechanical motorised rotation, which can otherwise be problematic at cryogenic temperatures.

Keywords: caged compounds, freeze-quench apparatus, photolysis, radicals

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Authors: Yuriy A. Shevchenko, Konstantin V. Nefedev

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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

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Authors: Pallab Bhattacharya, C. K. Das

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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

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Authors: Murtaza Adil, Sen Yang, Zhou Chao, Song Xiaoping

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The morphotropic phase boundary (MPB) recently has attracted constant interest in ferromagnetic systems for obtaining enhanced large magnetoelastic response. In the present study, structural and magnetoelastic properties of MPB involved ferromagnetic Tb_1-xGd_xFe₂ (0≤x≤1) system has been investigated. The change of easy magnetic direction from <111> to <100> with increasing x up MPB composition of x=0.9 is detected by step-scanned [440] synchrotron X-ray diffraction reflections. The Gd substitution for Tb changes the composition for the anisotropy compensation near MPB composition of x=0.9, which was confirmed by the analysis of detailed scanned XRD, magnetization curves and the calculation of the first anisotropy constant K₁. The spin configuration diagram accompanied with different crystal structures for Tb_1-xGd_xFe₂ was designed. The calculated first anisotropy constant K₁ shows a minimum value at MPB composition of x=0.9. In addition, the large ratio between magnetostriction, and the absolute values of the first anisotropy constant │λ_S∕K₁│ appears at MPB composition, which makes it a potential material for magnetostrictive application. Based on experimental results, a theoretically approach was also proposed to signify that the facilitated magnetization rotation and enhanced magnetoelastic effect near MPB composition are a consequence of the anisotropic flattening of free energy of ferromagnetic crystal. Our work specifies the universal existence of MPB in ferromagnetic materials which is important for substantial improvement of magnetic and magnetostrictive properties and may provide a new route to develop advanced functional materials.

Keywords: free energy, magnetic anisotropy, magnetostriction, morphotropic phase boundary (MPB)

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Authors: Nikita Valluri, Vatcharaporn Esichaikul

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With the popularity of data-driven decision making on the rise, this study focuses on providing an alternative outlook towards the process of decision-making. Combining quantitative and qualitative methods rooted in the social sciences, an integrated framework is presented with a focus on delivering a much more robust and efficient approach towards the concept of data-driven decision-making with respect to not only Big data but also 'Thick data', a new form of qualitative data. In support of this, an example from the retail sector has been illustrated where the framework is put into action to yield insights and leverage business intelligence. An interpretive approach to analyze findings from both kinds of quantitative and qualitative data has been used to glean insights. Using traditional Point-of-sale data as well as an understanding of customer psychographics and preferences, techniques of data mining along with qualitative methods (such as grounded theory, ethnomethodology, etc.) are applied. This study’s final goal is to establish the framework as a basis for providing a holistic solution encompassing both the Big and Thick aspects of any business need. The proposed framework is a modified enhancement in lieu of traditional data-driven decision-making approach, which is mainly dependent on quantitative data for decision-making.

Keywords: big data, customer behavior, customer experience, data mining, qualitative methods, quantitative methods, thick data

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Authors: Mariia V. Efremova, Iana O. Tcareva, Anastasia D. Blokhina, Ivan S. Grebennikov, Anastasia S. Garanina, Maxim A. Abakumov, Yury I. Golovin, Alexander G. Savchenko, Alexander G. Majouga, Natalya L. Klyachko

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During last decades magnetite nanoparticles (NPs) attract a deep interest of scientists due to their potential application in therapy and diagnostics. However, magnetite nanoparticles are toxic and non-stable in physiological conditions. To solve these problems, we decided to create two types of hybrid systems based on magnetite and gold which is inert and biocompatible: gold as a shell material (first type) and gold as separate NPs interfacially bond to magnetite NPs (second type). The synthesis of the first type hybrid nanoparticles was carried out as follows: Magnetite nanoparticles with an average diameter of 9±2 nm were obtained by co-precipitation of iron (II, III) chlorides then they were covered with gold shell by iterative reduction of hydrogen tetrachloroaurate with hydroxylamine hydrochloride. According to the TEM, ICP MS and EDX data, final nanoparticles had an average diameter of 31±4 nm and contained iron even after hydrochloric acid treatment. However, iron signals (K-line, 7,1 keV) were not localized so we can’t speak about one single magnetic core. Described nanoparticles covered with mercapto-PEG acid were non-toxic for human prostate cancer PC-3/ LNCaP cell lines (more than 90% survived cells as compared to control) and had high R2-relaxivity rates (>190 mМ-1s-1) that exceed the transverse relaxation rate of commercial MRI-contrasting agents. These nanoparticles were also used for chymotrypsin enzyme immobilization. The effect of alternating magnetic field on catalytic properties of chymotrypsin immobilized on magnetite nanoparticles, notably the slowdown of catalyzed reaction at the level of 35-40 % was found. The synthesis of the second type hybrid nanoparticles also involved two steps. Firstly, spherical gold nanoparticles with an average diameter of 9±2 nm were synthesized by the reduction of hydrogen tetrachloroaurate with oleylamine; secondly, they were used as seeds during magnetite synthesis by thermal decomposition of iron pentacarbonyl in octadecene. As a result, so-called dumbbell-like structures were obtained where magnetite (cubes with 25±6 nm diagonal) and gold nanoparticles were connected together pairwise. By HRTEM method (first time for this type of structure) an epitaxial growth of magnetite nanoparticles on gold surface with co-orientation of (111) planes was discovered. These nanoparticles were transferred into water by means of block-copolymer Pluronic F127 then loaded with anti-cancer drug doxorubicin and also PSMA-vector specific for LNCaP cell line. Obtained nanoparticles were found to have moderate toxicity for human prostate cancer cells and got into the intracellular space after 45 minutes of incubation (according to fluorescence microscopy data). These materials are also perspective from MRI point of view (R2-relaxivity rates >70 mМ-1s-1). Thereby, in this work magnetite-gold hybrid nanoparticles, which have a strong potential for biomedical application, particularly in targeted drug delivery and magnetic resonance imaging, were synthesized and characterized. That paves the way to the development of special medicine types – theranostics. The authors knowledge financial support from Ministry of Education and Science of the Russian Federation (14.607.21.0132, RFMEFI60715X0132). This work was also supported by Grant of Ministry of Education and Science of the Russian Federation К1-2014-022, Grant of Russian Scientific Foundation 14-13-00731 and MSU development program 5.13.

Keywords: drug delivery, magnetite-gold, MRI contrast agents, nanoparticles, toxicity

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Authors: Hyeon-Kyo Lim, Tong-Il Jang, Yong-Hee Lee

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Human error is one of the most dreaded factors that may result in unexpected accidents, especially in nuclear power plants. For accident prevention, it is quite indispensable to analyze and to manage the influence of any factor which may raise the possibility of human errors. Out of lots factors, stress has been reported to have a significant influence on human performance. Therefore, this research aimed to develop a work-related stress management program which can guarantee Fitness-for-Duty (FFD) of the workers in nuclear power plants, especially those working in main control rooms. Major stress factors were elicited through literal surveys and classified into major categories such as demands, supports, and relationships. To manage those factors, a test and intervention program based on 4-level approaches was developed over the whole employment cycle including selection and screening of workers, job allocation, and job rotation. In addition, a managerial care program was introduced with the concept of Employee-Assistance-Program (EAP) program. Reviews on the program conducted by ex-operators in nuclear power plants showed responses in the affirmative, and suggested additional treatment to guarantee high performance of human workers, not in normal operations but also in emergency situations.

Keywords: human error, work performance, work stress, Fitness-For-Duty (FFD), Employee Assistance Program (EAP)

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Authors: Jin Sim, Kwan U. Kim, Ryong Jin Jang, Sung Duk Kim

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Earth rotation is one of astronomical phenomena without which it is impossible to think of human life. That is why the investigation of the Earth's rotation is very important, and it has a long history of study. The invention of quartz clocks in the 1930s and atomic time 1950s and the introduction of modern technology into astronomic observation in recent years resulted in rapid development of the study of Earth’s rotation. The theory of the Earth rotation, however, has not been up to the high level of astronomic observation due to limitation of the time such as impossibility of quantitative calculation of moment of external force for Euler’s dynamical equation based on Newtonian mechanics. As a typical example, we can take the problems that cover the instabilities of the Earth’s rotation proved completely by the astronomic observations as well as polar motion, the precession and nutation of the Earth rotation axis which have not been described in a single equation in a quantitative way from the unique law of Earth rotation. In particular, at present the problem of what the main factor causing the instabilities of the Earth rotation is has not been solved clearly in quantitative ways yet. Therefore, this paper addresses quantitative proof that the main factor which causes the instabilities of the Earth rotation is the moment of external force rather than variations in the relative atmospheric angular momentum and in moment of inertia of the Earth’s body due to the time limitation and under some assumptions.

Keywords: atmospheric angular momentum, instabilities of the Earth’s rotation, law of the Earth’s rotation change, moment of inertia of the Earth

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Authors: Mahendran Samykano, Ram Mohan, Shyam Aravamudhan

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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

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Authors: Mohammad Shafiul Alam, Mineo Saito

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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

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Authors: Hae-Jun Lee, Ji-Sun Shin, Kyung-Tae Lee

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Potentilla species (Rosasease) have been used in traditional medicine to treat different ailment, disease or malady. In this study, we investigated the anti-inflammatory effects of ethanol extracts of NUTT (EPP) in lipopolysaccharide (LPS)-induced Raw 264.7 macrophages and septic mice. EPP suppressed LPS-induced nitric oxide (NO) and prostaglandin E2 (PGE2) production in LPS-induced Raw 264.7 macrophages. Consistent with these observations, EPP reduced the expressions of inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2) by downregulation of their promoter activities. EPP inhibited tumor necrosis factor-α (TNF-α), interleukin-6 (IL-6) and interleukin-1β (IL-1β) at production and mRNA levels. Molecularly, EPP attenuated the LPS-induced transcriptional activity, and DNA-binding activity of nuclear factor-κB (NF-κB), and this was associated with a decrease of translocation and phosphorylation of p65 NF-κB by inhibiting the inhibitory κB-α (IκB-α) degradation and IκB kinase-α/β (IKK-α/β) phosphorylation. Furthermore, EPP suppressed the LPS-induced activation of activator protein-1 (AP-1) by reducing the expression of c-Fos and c-Jun in nuclear. EPP also reduced the phosphorylation of mitogen-activated protein kinase (MAPK), such as p38 MAPK and c-Jun N-terminal kinase/stress-activated protein kinase (JNK). In a sepsis model, pretreatment with EPP reduced the LPS-induced lethality. Collectively, these results suggest that the anti-inflammatory effects of EPP were associated with the suppression of NF-κB and AP-1 activation, and support its possible therapeutic role for the treatment of sepsis.

Keywords: anti-inflammation, activator protein-1, nuclear factor κB, Potentilla paradoxa Nutt

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

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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

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Authors: Hendrik Bernard Van Der Walt, Frik Van Niekerk

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Fuel models render a reduction in BOL when thorium is added to a reactor core. Thorium emulates the role of a fertile poison, and is beneficial for reducing beginning of cycle (BOC) excess reactivity. In spite of the build-up of 233U over the duration of a fuel cycle, the effects of fuel reloading have a significant impact on fuel viability, especially in the case of heterogeneous thorium-based fuels. The most common practice of compensating for the reduction of BOC reactivity is the addition of fissile isotopes (uranium fuel with increased enrichment or plutonium). This study introduces a heterogeneous thorium-based fuel with minimal fissile isotope additions. A pseudo reloading scheme was developed for numerical simulations of an infinite reactor based on the North-Anna 1 reactor operating in Virginia, USA. Use of this reloading pattern allows new thorium-based fuel to be loaded into the reactor model as part of a phasing in strategy at the end of any conventional reactor cycle. Results demonstrate the effects of thorium-based fuel on fuel cycle characteristics such as fuel cycle length, neutron economy and material matrix. Application of the above mentioned approach delivered promising results and presents a heterogeneous thorium-based fuel which could replace conventional fuel of typical, currently operating (or future) reactors without the need for expensive reactor redesign or fuel recycling strategies.

Keywords: nuclear fuel, nuclear characteristics, nuclear fuel cycle, thorium-based fuel, heterogeneous design, fuel reloading

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

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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 157

Authors: Christobel Gondwe, Yongtao Lu, Claudia Mazzà, Xinshan Li

Abstract:

Skeletal muscle plays an important role in the human body system and function by generating voluntary forces and facilitating body motion. However, The mechanical properties and behaviour of skeletal muscle are still not comprehensively known yet. As such, various robust engineering techniques have been applied to better elucidate the mechanical behaviour of skeletal muscle. It is considered that muscle mechanics are highly governed by the architecture of the fibre orientations. Therefore, the aim of this study was to investigate the effect of different fibre orientations on the mechanical behaviour of skeletal muscle.In this study, a continuum mechanics approach–finite element (FE) analysis was applied to the left bicep femoris long head to determine the contractile mechanism of the muscle using Hill’s three-element model. The geometry of the muscle was segmented from the magnetic resonance images. The muscle was modelled as a quasi-incompressible hyperelastic (Mooney-Rivlin) material. Two types of fibre orientations were implemented: one with the idealised fibre arrangement, i.e. parallel single-direction fibres going from the muscle origin to insertion sites, and the other with curved fibre arrangement which is aligned with the muscle shape.The second fibre arrangement was implemented through the finite element method; non-uniform rational B-spline (FEM-NURBs) technique by means of user material (UMAT) subroutines. The stress-strain behaviour of the muscle was investigated under idealised exercise conditions, and will be further analysed under physiological conditions. The results of the two different FE models have been outputted and qualitatively compared.

Keywords: FEM-NURBS, finite element analysis, Mooney-Rivlin hyperelastic, muscle architecture

Procedia PDF Downloads 479

Authors: Paul Lemarignier, Olivier Fiquet, Vincent Pateloup

Abstract:

In line with the strong desire of nuclear energy players to have ever more effective products in terms of safety, research programs on E-ATF (Enhanced-Accident Tolerant Fuels) that are more resilient, particularly to the loss of coolant, have been launched in all countries with nuclear power plants. Among the multitude of solutions being developed internationally, carcinoembryonic antigen (CEA) and its partners are investigating a promising solution, which is the realization of CERMET (CERamic-METal) type fuel pellets made of a matrix of fissile material, uranium dioxide UO2, which has a low thermal conductivity, and a metallic phase with a high thermal conductivity to improve heat evacuation. Work has focused on the development by powder metallurgy of micro-structured CERMETs, characterized by networks of metallic phase embedded in the UO₂ matrix. Other types of macro-structured CERMETs, based on concepts proposed by thermal simulation studies, have been developed with a metallic phase with a specific geometry to optimize heat evacuation. This solution could not be developed using traditional processes, so additive manufacturing, which revolutionizes traditional design principles, is used to produce these innovative prototype concepts. At CEA Cadarache, work is first carried out on a non-radioactive surrogate material, alumina, in order to acquire skills and to develop the equipment, in particular the robocasting machine, an additive manufacturing technique selected for its simplicity and the possibility of optimizing the paste formulations. A manufacturing chain was set up, with the pastes production, the 3D printing of pellets, and the associated thermal post-treatment. The work leading to the first elaborations of macro-structured alumina/molybdenum CERMETs will be presented. This work was carried out with the support of Framatome and EdF.

Keywords: additive manufacturing, alumina, CERMET, molybdenum, nuclear safety

Procedia PDF Downloads 77

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 135

Authors: Shinhao Yang, Hsiao-Chien Huang, Chin-Hsiang Luo

Abstract:

The leakage of protective clothing is an important issue in the occupational health field. There is no quantitative method for measuring the leakage of personal protective equipment. This work aims to measure the quantitative leakage of the personal protective equipment by using the fluorochrome aerosol tracer. The fluorescent aerosols were employed as airborne particulates in a controlled chamber with ultraviolet (UV) light-detectable stickers. After an exposure-and-leakage test, the protective equipment was removed and photographed with UV-scanning to evaluate areas, color depth ratio, and aerosol deposition and shielding effects of the areas where fluorescent aerosols had adhered to the body through the protective equipment. Thus, this work built a calculation software for quantitative leakage ratio of protective clothing based on fluorescent illumination depth/aerosol concentration ratio, illumination/Fa ratio, aerosol deposition and shielding effects, and the leakage area ratio on the segmentation. The results indicated that the two-repetition total leakage rate of the X, Y, and Z type protective clothing for subject T were about 3.05, 4.21, and 3.52 (mg/m2). For five-repetition, the leakage rate of T were about 4.12, 4.52, and 5.11 (mg/m2).

Keywords: fluorochrome, deposition, shielding effects, digital image processing, leakage ratio, personal protective equipment

Procedia PDF Downloads 322

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 557

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 445