Search results for: thermal mapping

Authors: Hassane Ouazzani Chahdi, Omar Helli, Bourzgui Nour Eddine, Hassan Maher, Ali Soltani

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The real-time knowledge of the NO, NO₂ concentration at high temperature, would allow manufacturers of automobiles to meet the upcoming stringent EURO7 anti-pollution measures for diesel engines. Knowledge of the concentration of each of these species will also enable engines to run leaner (i.e., more fuel efficient) while still meeting the anti-pollution requirements. Our proposed technology is promising in the field of automotive sensors. It consists of nanostructured semiconductors based on gallium nitride and zirconia dioxide. The development of new technologies for selective detection of NO and NO₂ gas species would be a critical enabler of superior depollution. The current response was well correlated to the NO concentration in the range of 0–2000 ppm, 0-2500 ppm NO₂, and 0-300 ppm NH₃ at a temperature of 600.

Keywords: NOₓ sensors, HEMT transistor, anti-pollution, gallium nitride, gas sensor

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Authors: Javed Mallick

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In metropolitan areas, rapid changes in land use and land cover (LULC) have ecological and environmental consequences. Saudi Arabia's cities have experienced tremendous urban growth since the 1990s, resulting in urban heat islands, groundwater depletion, air pollution, loss of ecosystem services, and so on. From 1990 to 2020, this study examines the variance and heterogeneity in land surface temperature (LST) caused by LULC changes in Abha-Khamis Mushyet, Saudi Arabia. LULC was mapped using the support vector machine (SVM). The mono-window algorithm was used to calculate the land surface temperature (LST). To identify LST clusters, the local indicator of spatial associations (LISA) model was applied to spatiotemporal LST maps. In addition, the parallel coordinate (PCP) method was used to investigate the relationship between LST clusters and urban biophysical variables as a proxy for LULC. According to LULC maps, urban areas increased by more than 330% between 1990 and 2018. Between 1990 and 2018, built-up areas had an 83.6% transitional probability. Furthermore, between 1990 and 2020, vegetation and agricultural land were converted into built-up areas at a rate of 17.9% and 21.8%, respectively. Uneven LULC changes in built-up areas result in more LST hotspots. LST hotspots were associated with high NDBI but not NDWI or NDVI. This study could assist policymakers in developing mitigation strategies for urban heat islands

Keywords: land use land cover mapping, land surface temperature, support vector machine, LISA model, parallel coordinate plot

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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: Srinivas Nerella

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A series of new heterodentate N, O-donor ligands derived from condensing 3-amino Coumarins with hydroxy benzaldehydes and acetophenones were used to afford new mononuclear Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and Pd(II) coordination compounds. All the complexes were characterized by IR, 1H-NMR, 13C-NMR, Mass, ESR, Electronic spectra, Conductance, Magnetic and Thermal studies. The ligands show hexa coordination in Mn(II), Co(II), Ni(II), and Pd(II) complexes resulting octahedral geometries, while the ligands in Zn(II) and Cu(II) complexes show tetra coordination resulting tetrahedral and square planar geometries respectively. These mononuclear complexes were investigated as catalysts in the hydrothiolation of aromatic and aliphatic alkynes with thiols. These metal complexes were acted as versatile catalysts and gave good yields.

Keywords: schiff bases, divalent metal complexes of schiff bases, Catalytic activity, hydrothiolation

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Authors: Janaina Camile Pasqual Lofhagen, David Savarese, Veronika Vazhnik

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The built environment is considered as a key element in transitioning to clean energy, needed to create resilient buildings and cities, enhance their adaptability to changes, and pursue energy saving. For such energy transition, this paper presents biogas as one of the sustainable sources of energy, as it is produced from organic materials often available in both urban and rural areas and can be converted into electrical and thermal energy, or into vehicular energies fuel. The resilience benefits of this fuel is being a localized alternative energy, and also provides tangible benefits for water, air, and soil quality. Through bibliographic and empirical research, this study analyzed the biogas potential and applications in Brazil and in the U.S. The results indicated that biogas emits 85% less CO2 to the atmosphere compared to diesel and could supply 40% of domestic electricity demand and 70% of diesel consumption in Brazil, with a similar scenario for the U.S.

Keywords: resilience, sustainability, built environment, energy transition, biogas.

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Authors: Cam Nguyen

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Rapid, accurate, and safe sensing and imaging of physical quantities or structures finds many applications and is of significant interest to society. Sensing and imaging using radio-frequency (RF) techniques, particularly, has gone through significant development and subsequently established itself as a unique territory in the sensing world. RF sensing and imaging has played a critical role in providing us many sensing and imaging abilities beyond our human capabilities, benefiting both civilian and military applications - for example, from sensing abnormal conditions underneath some structures’ surfaces to detection and classification of concealed items, hidden activities, and buried objects. We present the developments of several sensing and imaging systems implementing RF technologies like ultra-wide band (UWB), synthetic-pulse, and interferometry. These systems are fabricated completely using RF integrated circuits. The UWB impulse system operates over multiple pulse durations from 450 to 1170 ps with 5.5-GHz RF bandwidth. It performs well through tests of various samples, demonstrating its usefulness for subsurface sensing. The synthetic-pulse system operating from 0.6 to 5.6 GHz can assess accurately subsurface structures. The synthetic-pulse system operating from 29.72-37.7 GHz demonstrates abilities for various surface and near-surface sensing such as profile mapping, liquid-level monitoring, and anti-personnel mine locating. The interferometric system operating at 35.6 GHz demonstrates its multi-functional capability for measurement of displacements and slow velocities. These RF sensors are attractive and useful for various surface and subsurface sensing applications. This paper was made possible by NPRP grant # 6-241-2-102 from the Qatar National Research Fund (a member of Qatar Foundation). The statements made herein are solely the responsibility of the authors.

Keywords: RF sensors, radars, surface sensing, subsurface sensing

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Authors: Devanjan Bhattacharya, Jitka Komarkova

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The research describes the implementation of a novel and stand-alone system for dynamic hazard warning. The system uses all existing infrastructure already in place like mobile networks, a laptop/PC and the small installation software. The geospatial dataset are the maps of a region which are again frugal. Hence there is no need to invest and it reaches everyone with a mobile. A novel architecture of hazard assessment and warning introduced where major technologies in ICT interfaced to give a unique WebGIS based dynamic real time geohazard warning communication system. A never before architecture introduced for integrating WebGIS with telecommunication technology. Existing technologies interfaced in a novel architectural design to address a neglected domain in a way never done before–through dynamically updatable WebGIS based warning communication. The work publishes new architecture and novelty in addressing hazard warning techniques in sustainable way and user friendly manner. Coupling of hazard zonation and hazard warning procedures into a single system has been shown. Generalized architecture for deciphering a range of geo-hazards has been developed. Hence the developmental work presented here can be summarized as the development of internet-SMS based automated geo-hazard warning communication system; integrating a warning communication system with a hazard evaluation system; interfacing different open-source technologies towards design and development of a warning system; modularization of different technologies towards development of a warning communication system; automated data creation, transformation and dissemination over different interfaces. The architecture of the developed warning system has been functionally automated as well as generalized enough that can be used for any hazard and setup requirement has been kept to a minimum.

Keywords: geospatial, web-based GIS, geohazard, warning system

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Authors: Irlana C. do Mar, Thayna A. Ferreira, Dayane S. Rezende, Bruno A. M. Figueira, José M. R. Mercury

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This work presents a low-cost Mn starting material to synthesis manganese oxide octahedral molecular sieve with Mg²⁺ in the tunnel (Mg-OMS-1), based on the Mn residues from Carajás Mineral Province (Amazon, Brazil). After hydrothermal and cation exchange procedures, the Mn residues transformed to a single phase, Mg-OMS-1. The raw material and the synthesis processes were analyzed by means of X-ray diffraction (XRD), Scanning electron microscopy (SEM) and Infrared spectroscopy (FTIR). The tunnel structure was synthesized hydrothermally at 180 °C for three days without impurities. According to the XRD analysis, the formation of crystalline Mg-OMS-1 was identified through reflections at 9.8º, 12º and 18º (2θ), as well as a thermal stability around 300 ºC. The SEM analysis indicated that the final product presents good crystallinity with a homogeneous size. In addition, an intense and diagnostic FTIR band was identified at 515 cm⁻¹ related to the MnO₆ octahedral stretching vibrations.

Keywords: Mn residues , Octahedral Molecular Sieve, Synthesis, Characterization

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Authors: Jaewook Ha, Jin-beak Kim, Seongmin Kim

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In order to solve global warming and climate change issues, increased efforts have been devoted towards clean and sustainable energy sources as well as new energy generating devices. Nanogenerator is a device that converts mechanical/thermal energy as produced by small-scale physical change into electricity. Here we propose that nature-leaf surface could be used for preparation of a triboelectric nanogenerator. The nature-leaf surface consists of polydimethylsiloxane microscale pillars and polytetrafluoroethylene nanoparticles. Interaction between the nature-leaf surface and water was studied and the electrical outputs from the motion of single water drop were measured. A 40-μL water drop can generate a peak voltage of 1 V and a peak current of 0.7 μA. This nanogenerator might be used to drive electric devices in the outdoor environments in a sustainable manner.

Keywords: hierarchical surface, lotus-leaf, electrical generator, waterdrop

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Authors: Claudius Peter Van Wyk

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Given the increasingly manifest phenomena, as described in complexity theory, of volatility, uncertainty, complexity and ambiguity (VUCA), Taleb's notion of 'antifragility, has a significant contribution to make to positive psychology applied to wellbeing. Antifragility is argued to be fundamentally different from the concepts of resiliency; as the ability to recover from failure, and robustness; as the ability to resist failure. Rather it describes the capacity to reorganise in the face of stress in such a way as to cope more effectively with systemic challenges. The concept, which has been applied in disciplines ranging from physics, molecular biology, planning, engineering, and computer science, can now be considered for its application in individual human and social wellbeing. There are strong correlations to Antonovsky's model of 'salutogenesis' in which an attitude and competencies are developed of transforming burdening factors into greater resourcefulness. We demonstrate, from the perspective of neuroscience, how technology measuring nervous system coherence can be coupled to acquired psychodynamic approaches to not only identify contextual stressors, utilise biofeedback instruments for facilitating greater coherence, but apply these insights to specific life stressors that compromise well-being. Employing an on-going case study with BMW South Africa, the neurological mapping is demonstrated together with 'reframing' and emotional anchoring techniques from neurolinguistic programming. The argument is contextualised in the discipline of psychoneuroimmunology which describes the stress pathways from the CNS and endocrine systems and their impact on immune function and the capacity to restore homeostasis.

Keywords: antifragility, complexity, neuroscience, psychoneuroimmunology, salutogenesis, volatility

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Authors: Hicham Salhi

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This research project focuses on the numerical investigation of the mixed convection of Hybrid nanofluids in a round bottom flask commonly used in organic chemistry synthesis. The aim of this study is to improve the thermal properties of the reaction medium and enhance the rate of chemical reactions by using hybrid nanofluids. The flat bottom wall of the flask is maintained at a constant high temperature, while the top, left, and right walls are kept at a low temperature. The nanofluids used in this study contain suspended Cu and Al2O3 nanoparticles in pure water. The governing equations are solved numerically using the finite-volume approach and the Boussinesq approximation. The effects of the volume fraction of nanoparticles (φ) ranging from 0% to 5%, the Rayleigh number from 103 to 106, and the type of nanofluid (Cu and Al2O3) on the flow streamlines, isotherm distribution, and Nusselt number are examined in the simulation. The results indicate that the addition of Cu and Al2O3 nanoparticles increases the mean Nusselt number, which improves heat transfer and significantly alters the flow pattern. Moreover, the mean Nusselt number increases with increasing Rayleigh number and volume fraction, with Cu- Al2O3 hybrid nanofluid producing the best results. This research project focuses on the numerical investigation of the mixed convection of Hybrid nanofluids in a round bottom flask commonly used in organic chemistry synthesis. The aim of this study is to improve the thermal properties of the reaction medium and enhance the rate of chemical reactions by using hybrid nanofluids. The flat bottom wall of the flask is maintained at a constant high temperature, while the top, left, and right walls are kept at a low temperature. The nanofluids used in this study contain suspended Cu and Al2O3 nanoparticles in pure water. The governing equations are solved numerically using the finite-volume approach and the Boussinesq approximation. The effects of the volume fraction of nanoparticles (φ) ranging from 0% to 5%, the Rayleigh number from 103 to 106, and the type of nanofluid (Cu and Al2O3) on the flow streamlines, isotherm distribution, and Nusselt number are examined in the simulation. The results indicate that the addition of Cu and Al2O3 nanoparticles increases the mean Nusselt number, which improves heat transfer and significantly alters the flow pattern. Moreover, the mean Nusselt number increases with increasing Rayleigh number and volume fraction, with Cu- Al2O3 hybrid nanofluid producing the best results.

Keywords: bottom flask, mixed convection, hybrid nanofluids, numerical simulation

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Authors: Hasibe Caballero-Gomez, Richard Pepino

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Childhood lead poisoning is an issue that continues to plague major U.S. cities. Lead poisoning has been linked to decreases in academic achievement and IQ at levels as low as 5 ug/dL. Despite efforts from the Philadelphia Health Department to curtail systemic childhood lead poisoning, children continue to be identified with elevated blood lead levels (EBLLs) above the CDC reference level for diagnosis. This problem disproportionately affects low-income Black communities. At the moment, remediation is costly, and with the current policies in place, comprehensive remediation seems unrealistic. This research investigates community engagement policy and the ways pre-exisiting resources in target communities can be adjusted to decrease childhood lead poisoning. The study was done with two methods: content analysis and case studies. The content analysis includes 12 interviews from stakeholders and five published policy recommendations. The case studies focus on Baltimore, Chicago, Rochester, and St. Louis, four cities with significant childhood lead poisoning. Target communities were identified by mapping five factors that indicate a higher risk for lead poisoning. Seven priority zipcodes were identified for the model developed in this study. For these urban centers, 28 policy solutions and suggestions were identified, with three being identified at least four times in the content analysis and case studies. These three solutions create an interdependent model that offers increased community awareness and engagement with the issue that could potentially improve health and social outcomes for at-risk children.

Keywords: at-risk populations, community engagement, environmental justice, policy translation

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Authors: Muhammad Omer Aijaz, Sajjad Haider, Fahad S. Al Mubddal, Yousef Al-Zeghayer, Waheed A. Al Masry

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The present study is focused on the preparation of chitosan-based blend and Semi-Interpenetrating Polymer Network (SEMI-IPN) with polyacrylonitrile (PAN). Blend Chitosan/Polyacrylonitrile (PAN) hydrogel films were prepared by solution blending and casting technique. Chitosan in the blend was cross-linked with epichlorohydrin (ECH) to prepare SEMI-IPN. The developed Chitosan/PAN blend and SEMI-IPN hydrogels were characterized with SEM, FTIR, TGA, and DSC. The result showed good miscibility between chitosan and PAN, crosslinking of chitosan in the blend, and improved thermal properties for SEMI-IPN. The swelling of the different blended and SEMI-IPN hydrogels samples were examined at room temperature. Blend (C80/P20) sample showed highest swelling (2400%) and fair degree of stability (28%) whereas SEMI-IPN hydrogel exhibited relatively low degree of swelling (244%) and high degree of aqueous stability (85.5%).

Keywords: polymer hydrogels, chitosan, SEMI-IPN, polyacrylonitrile, epichlorohydrin

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Authors: Maxim A. Kadatskiy, Konstantin V. Khishchenko

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Iron alloys are widespread components in various types of structural materials which are exposed to intensive thermal and mechanical loads. Various quantum-statistical cell models with the approximation of self-consistent field can be used for the prediction of the behavior of these materials under extreme conditions. The application of these models is even more valid, the higher the temperature and the density of matter. Results of Hugoniot calculation for iron alloys in the framework of three quantum-statistical (the Thomas–Fermi, the Thomas–Fermi with quantum and exchange corrections and the Hartree–Fock–Slater) models are presented. Results of quantum-statistical calculations are compared with results from other reliable models and available experimental data. It is revealed a good agreement between results of calculation and experimental data for terra pascal pressures. Advantages and disadvantages of this approach are shown.

Keywords: alloy, Hugoniot, iron, terapascal pressure

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Authors: Baeza S. Roberto

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The knitted fabric suffers a deformation in its dimensions due to stretching and tension factors, transverse and longitudinal respectively, during the process in rectilinear knitting machines so it performs a dry relaxation shrinkage procedure and thermal action of prefixed to obtain stable conditions in the knitting. This paper presents a dry relaxation shrinkage prediction of Bordeaux fiber using a feed forward neural network and linear regression models. Six operational alternatives of shrinkage were predicted. A comparison of the results was performed finding neural network models with higher levels of explanation of the variability and prediction. The presence of different reposes are included. The models were obtained through a neural toolbox of Matlab and Minitab software with real data in a knitting company of Southern Guanajuato. The results allow predicting dry relaxation shrinkage of each alternative operation.

Keywords: neural network, dry relaxation, knitting, linear regression

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Authors: Zélia Maria Da Costa Ludwig, Maria José Valenzuela Bell, Geraldo Henriques Da Silva, Thales Alves Faraco, Victor Rocha Da Silva, Daniel Rotmeister Teixeira, Vírgilio De Carvalho Dos Anjos, Valdemir Ludwig

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Advances in telecommunications grow with the development of optical amplifiers based on rare earth ions. The focus has been concentrated in silicate glasses although their amplified spontaneous emission is limited to a few tens of nanometers (~ 40nm). Recently, phosphate glasses have received great attention due to their potential application in optical data transmission, detection, sensors and laser detector, waveguide and optical fibers, besides its excellent physical properties such as high thermal expansion coefficients and low melting temperature. Compared with the silica glasses, phosphate glasses provide different optical properties such as, large transmission window of infrared, and good density. Research on the improvement of physical and chemical durability of phosphate glass by addition of heavy metals oxides in P2O5 has been performed. The addition of Na2O further improves the solubility of rare earths, while increasing the Al2O3 links in the P2O5 tetrahedral results in increased durability and aqueous transition temperature and a decrease of the coefficient of thermal expansion. This work describes the structural and spectroscopic characterization of a phosphate glass matrix doped with different Er (Erbium) concentrations. The phosphate glasses containing Er3+ ions have been prepared by melt technique. A study of the optical absorption, luminescence and lifetime was conducted in order to characterize the infrared emission of Er3+ ions at 1540 nm, due to the radiative transition 4I13/2 → 4I15/2. Our results indicate that the present glass is a quite good matrix for Er3+ ions, and the quantum efficiency of the 1540 nm emission was high. A quenching mechanism for the mentioned luminescence was not observed up to 2,0 mol% of Er concentration. The Judd-Ofelt parameters, radiative lifetime and quantum efficiency have been determined in order to evaluate the potential of Er3+ ions in new phosphate glass. The parameters follow the trend as Ω2 > Ω4 > Ω6. It is well known that the parameter Ω2 is an indication of the dominant covalent nature and/or structural changes in the vicinity of the ion (short range effects), while Ω4 and Ω6 intensity parameters are long range parameters that can be related to the bulk properties such as viscosity and rigidity of the glass. From the PL measurements, no red or green upconversion was measured when pumping the samples with laser excitation at 980 nm. As future prospects: Synthesize this glass system with silver in order to determine the influence of silver nanoparticles on the Er3+ ions.

Keywords: phosphate glass, erbium, luminescence, glass system

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Authors: Shengzhu Cao, Hui Zhou, Gan Wu, Lanxi Wanhg, Kaifeng Zhang, Rui Wang, Hu Wang

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The functional micro and nanostructures, which can endow material surface with unique properties such as super-absorptance, hydrophobic and drag reduction. Recently, femtosecond laser ablation has been demonstrated to be a promising technology for surface functional micro and nanostructures fabrication. In this paper, using femtosecond laser ablation processing technique, we fabricated functional micro and nanostructures on Ti and Al alloy surfaces, test results showed that processed surfaces have 82%~96% absorptance over a broad wavelength range from ultraviolet to infrared. The surface function properties, which determined by micro and nanostructures, could be modulated by variation laser parameters. These functional surfaces may find applications in such areas as photonics, plasmonics, spaceborne devices, thermal radiation sources, solar energy absorbers and biomedicine.

Keywords: surface functional, micro and nanostructures, femtosecond laser, ablation

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Authors: Mina Youssef Makram Ibrahim

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Engineering identity contributes to the professional and academic sustainability of female engineers. Recognizability is an important factor that shapes an engineer's identity. People who are deprived of real recognition often fail to create a positive identity. This study draws on Hornet’s recognition theory to identify factors that influence female civil engineers' sense of recognition. Over the past decade, a survey was created and distributed to 330 graduate students in the Department of Civil, Civil and Environmental Engineering at Iowa State University. Survey items include demographics, perceptions of a civil engineer's identity, and factors that influence recognition of a civil engineer's identity, such as B. Opinions about society and family. Descriptive analysis of survey responses revealed that perceptions of civil engineering varied significantly. The definitions of civil engineering provided by participants included the terms structure, design and infrastructure. Almost half of the participants said the main reason for studying Civil Engineering was their interest in the subject, and the majority said they were proud to be a civil engineer. Many study participants reported that their parents viewed them as civil engineers. Institutional and operational treatment was also found to have a significant impact on the recognition of women civil engineers. Almost half of the participants reported feeling isolated or ignored at work because of their gender. This research highlights the importance of recognition in developing the identity of women engineers.

Keywords: civil service, hiring, merit, policing civil engineering, construction, surveying, mapping, pile civil service, Kazakhstan, modernization, a national model of civil service, civil service reforms, bureaucracy civil engineering, gender, identity, recognition

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Authors: Somnath Bhattacharya, Kamal Sharma, Vaibhav Sonkar

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Composite materials emerged in the middle of the 20th century as a promising class of engineering materials providing new prospects for modern technology. Recently, a new class of composite materials known as functionally graded materials (FGMs) has drawn considerable attention of the scientific community. In general, FGMs are defined as composite materials in which the composition or microstructure or both are locally varied so that a certain variation of the local material properties is achieved. This gradual change in composition and microstructure of material is suitable to get gradient of properties and performances. FGMs are synthesized in such a way that they possess continuous spatial variations in volume fractions of their constituents to yield a predetermined composition. These variations lead to the formation of a non-homogeneous macrostructure with continuously varying mechanical and / or thermal properties in one or more than one direction. Lightweight functionally graded composites with high strength to weight and stiffness to weight ratios have been used successfully in aircraft industry and other engineering applications like in electronics industry and in thermal barrier coatings. In the present work, elastic-plastic crack growth problems (using Ramberg-Osgood Model) in an FGM plate under cyclic load has been explored by extended finite element method. Both edge and centre crack problems have been solved by taking additionally holes, inclusions and minor cracks under plane stress conditions. Both soft and hard inclusions have been implemented in the problems. The validity of linear elastic fracture mechanics theory is limited to the brittle materials. A rectangular plate of functionally graded material of length 100 mm and height 200 mm with 100% copper-nickel alloy on left side and 100% ceramic (alumina) on right side is considered in the problem. Exponential gradation in property is imparted in x-direction. A uniform traction of 100 MPa is applied to the top edge of the rectangular domain along y direction. In some problems, domain contains major crack along with minor cracks or / and holes or / and inclusions. Major crack is located the centre of the left edge or the centre of the domain. The discontinuities, such as minor cracks, holes, and inclusions are added either singly or in combination with each other. On the basis of this study, it is found that effect of minor crack in the domain’s failure crack length is minimum whereas soft inclusions have moderate effect and the effect of holes have maximum effect. It is observed that the crack growth is more before the failure in each case when hard inclusions are present in place of soft inclusions.

Keywords: elastic-plastic, fatigue crack, functionally graded materials, extended finite element method (XFEM)

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Authors: R. Pravin Kumar, L. Roopa

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Enzymes are molecular machines used in various industries such as pharmaceuticals, cosmetics, food and animal feed, paper and leather processing, biofuel, and etc. Nevertheless, this has been possible only by the breath-taking efforts of the chemists and biologists to evolve/engineer these mysterious biomolecules to work the needful. Main agenda of this enzyme engineering project is to derive screening and selection tools to obtain focused libraries of enzyme variants with desired qualities. The methodologies for this research include the well-established directed evolution, rational redesign and relatively less established yet much faster and accurate insilico methods. This concept was initiated as a Receptor Rependent-4Dimensional Quantitative Structure Activity Relationship (RD-4D-QSAR) to predict kinetic properties of enzymes and extended here to study transaminase by a 7D QSAR approach. Induced-fit scenarios were explored using Quantum Mechanics/Molecular Mechanics (QM/MM) simulations which were then placed in a grid that stores interactions energies derived from QM parameters (QMgrid). In this study, the mutated enzymes were immersed completely inside the QMgrid and this was combined with solvation models to predict descriptors. After statistical screening of descriptors, QSAR models showed > 90% specificity and > 85% sensitivity towards the experimental activity. Mapping descriptors on the enzyme structure revealed hotspots important to enhance the enantioselectivity of the enzyme.

Keywords: QMgrid, QM/MM simulations, RD-4D-QSAR, transaminase

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Authors: Aleksandar Dedic, Dusko Salemovic, Milorad Danilovic, Radomir Kuzmanovic

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This paper takes into consideration the influence of bonding energy of water on energy demand of vacuum wood drying using the specific method of obtaining sorption isotherms. The experiment was carried out on oak wood at vacuum pressures of: 0.7 bar, 0.5bar and 0.3bar. The experimental work was done to determine a mathematical equation between the moisture content and energy of water-bonding. This equation helps in finding the average amount of energy of water-bonding necessary in calculation of energy consumption by use of the equation of heat balance in real drying chambers. It is concluded that the energy of water-bonding is large enough to be included into consideration. This energy increases at lower values of moisture content, when drying process approaches to the end, and its average values are lower on lower pressure.

Keywords: bonding energy, drying, isosters, oak, vacuum

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Authors: Youcef Sehili, Khaled Loubar, Lyes Tarabet, Mahfoudh Cerdoun, Clement Lacroix

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As emissions regulations grow more stringent and traditional fuel sources become increasingly scarce, incorporating carbon-free fuels in the transportation sector emerges as a key strategy for mitigating the impact of greenhouse gas emissions. While the utilization of hydrogen (H2) presents significant technological challenges, as evident in the engine limitation known as knocking, ammonia (NH3) provides a viable alternative that overcomes this obstacle and offers convenient transportation, storage, and distribution. Moreover, the implementation of a dual-fuel engine using ammonia as the primary gas is promising, delivering both ecological and economic benefits. However, when employing this combustion mode, the substitution of ammonia at high rates adversely affects combustion performance and leads to elevated emissions of unburnt NH3, especially under high loads, which requires special treatment of this mode of combustion. This study aims to simulate combustion in a common rail direct injection (CRDI) dual-fuel engine, considering the fundamental geometry of the combustion chamber as well as fifteen (15) alternative proposed geometries to determine the configuration that exhibits superior engine performance during high-load conditions. The research presented here focuses on improving the understanding of the equations and mechanisms involved in the combustion of finely atomized jets of liquid fuel and on mastering the CONVERGETM code, which facilitates the simulation of this combustion process. By analyzing the effect of piston bowl shape on the performance and emissions of a diesel engine operating in dual fuel mode, this work combines knowledge of combustion phenomena with proficiency in the calculation code. To select the optimal geometry, an evaluation of the Swirl, Tumble, and Squish flow patterns was conducted for the fifteen (15) studied geometries. Variations in-cylinder pressure, heat release rate, turbulence kinetic energy, turbulence dissipation rate, and emission rates were observed, while thermal efficiency and specific fuel consumption were estimated as functions of crankshaft angle. To maximize thermal efficiency, a synergistic approach involving the enrichment of intake air with oxygen (O2) and the enrichment of primary fuel with hydrogen (H2) was implemented. Based on the results obtained, it is worth noting that the proposed geometry (T8_b8_d0.6/SW_8.0) outperformed the others in terms of flow quality, reduction of pollutants emitted with a reduction of more than 90% in unburnt NH3, and an impressive improvement in engine efficiency of more than 11%.

Keywords: ammonia, hydrogen, combustion, dual-fuel engine, emissions

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Authors: Aleksandr Kavetskiy, Galina Yakubova, Nikolay Sargsyan, Stephen A. Prior, H. Allen Torbert

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The carbon sequestration question of modern times requires the development of an in-situ method of measuring soil carbon over large landmasses. Traditional chemical analytical methods used to evaluate large land areas require extensive soil sampling prior to processing for laboratory analysis; collectively, this is labor-intensive and time-consuming. An alternative method is to apply nuclear physics analysis, primarily in the form of pulsed fast-thermal neutron-gamma soil carbon analysis. This method is based on measuring the gamma-ray response that appears upon neutron irradiation of soil. Specific gamma lines with energies of 4.438 MeV appearing from neutron irradiation can be attributed to soil carbon nuclei. Based on measuring gamma line intensity, assessments of soil carbon concentration can be made. This method can be done directly in the field using a specially developed pulsed fast-thermal neutron-gamma system (PFTNA system). This system conducts in-situ analysis in a scanning mode coupled with GPS, which provides soil carbon concentration and distribution over large fields. The system has radiation shielding to minimize the dose rate (within radiation safety guidelines) for safe operator usage. Questions concerning the effect of neutron irradiation on soil health will be addressed. Information regarding absorbed neutron and gamma dose received by soil and its distribution with depth will be discussed in this study. This information was generated based on Monte-Carlo simulations (MCNP6.2 code) of neutron and gamma propagation in soil. Received data were used for the analysis of possible induced irradiation effects. The physical, chemical and biological effects of neutron soil irradiation were considered. From a physical aspect, we considered neutron (produced by the PFTNA system) induction of new isotopes and estimated the possibility of increasing the post-irradiation gamma background by comparisons to the natural background. An insignificant increase in gamma background appeared immediately after irradiation but returned to original values after several minutes due to the decay of short-lived new isotopes. From a chemical aspect, possible radiolysis of water (presented in soil) was considered. Based on stimulations of radiolysis of water, we concluded that the gamma dose rate used cannot produce gamma rays of notable rates. Possible effects of neutron irradiation (by the PFTNA system) on soil biota were also assessed experimentally. No notable changes were noted at the taxonomic level, nor was functional soil diversity affected. Our assessment suggested that the use of a PFTNA system with a neutron flux of 1e7 n/s for soil carbon analysis does not notably affect soil properties or soil health.

Keywords: carbon sequestration, neutron gamma analysis, radiation effect on soil, Monte-Carlo simulation

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Authors: Umar Sambo Umar, Ahmad Isah Haruna, Abubakar Sadik Maigari, Muhammad Bello Abubakar

Abstract:

Schist belts in Nigeria occur prominently west of longitude 80 E and sporadic to the east, they are upper Proterozioc low-medium grade deformed metasediments and metavolcanics that were intruded by Pan-African granitoids. The Wonaka schist belt, though reportedly distinctive in composition and metamorphism, is the least understood; the host for primary gold were not defined, structures which may control primary enrichment have not been delineated. The aim of this work is to determine the relationship between litho-structures and the gold around Wonaka schist belt through geological field mapping, petrographic studies and structural data analysis via ArcGis 10.2, Surfer 11.0 and Stereopro 2.0. The results show that the major rock types are mica schist and migmatites, muscovites detected during microstructural analysis suggests low-grade metamorphism in the metapelites. The shear zones identified were trending North Northeast – South Southwest (NNE-SSW), fractures trend mostly Northeast-Southwest (NE-SW) perpendicular to planes of gneissic foliations, these conform to the late Pan-African deformational episode. Pegmatite lodes, net self-cross cutting quartz veins as well as the quartz stringers hosted by both migmatites and schist are delineated as targets for primary gold mineralization, while major confluences of the streams serve as zones for secondary (placer) gold targets since the streams are dendritic and intermittent.

Keywords: gold mineralization, Nigeria, migmatites, Wonaka schist belt

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Authors: Raquel C. A. G. Mota, Livia R. Menezes, Emerson O. da Silva

Abstract:

Both silver nanoparticles and titanium dioxide have been extensively used in tissue engineering since they’ve been approved by the Food and Drug Administration (FDA), and present a bactericide effect when added to a polymeric matrix. In this work, the focus is on fabricating binary systems with both nanoparticles so that the synergistic effect can be investigated. The systems were tested by Nuclear Magnetic Resonance (NMR), Thermogravimetric Analysis (TGA), Fourier-Transformed Infrared (FTIR), and Differential Scanning Calorimetry (DSC), and X-ray Diffraction (XRD), and had both their bioactivity and bactericide effect tested. The binary systems presented different properties than the individual systems, enhancing both the thermal and biological properties as was to be expected. The crystallinity was also affected, as indicated by the finding of the DSC and XDR techniques, and the NMR showed a good dispersion of both nanoparticles in the polymer matrix. These findings indicate the potential of combining TiO₂ and silver nanoparticles in biomedicine.

Keywords: metallic nanoparticles, nanotechnology, polymer nanocomposites, polymer science

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Authors: Vadim Allheily, Rudiger Schmitt, Lionel Merlat, Gildas L'Hostis

Abstract:

Inflight devices are nowadays major actors in both military and civilian landscapes. Among others, missiles, mortars, rockets or even drones this last decade are increasingly sophisticated, and it is today of prior manner to develop always more efficient defensive systems from all these potential threats. In this frame, recent High Energy Laser weapon prototypes (HEL) have demonstrated some extremely good operational abilities to shot down within seconds flying targets several kilometers off. Whereas test outcomes are promising from both experimental and cost-related perspectives, the deterioration process still needs to be explored to be able to closely predict the effects of a high-energy laser irradiation on typical structures, heading finally to an effective design of laser sources and protective countermeasures. Laser matter interaction researches have a long history of more than 40 years at the French-German Research Institute (ISL). Those studies were tied with laser sources development in the mid-60s, mainly for specific metrology of fast phenomena. Nowadays, laser matter interaction can be viewed as the terminal ballistics of conventional weapons, with the unique capability of laser beams to carry energy at light velocity over large ranges. In the last years, a strong focus was made at ISL on the interaction process of laser radiation with metal targets such as artillery shells. Due to the absorbed laser radiation and the resulting heating process, an encased explosive charge can be initiated resulting in deflagration or even detonation of the projectile in flight. Drones and Unmanned Air Vehicles (UAVs) are of outmost interests in modern warfare. Those aerial systems are usually made up of polymer-based composite materials, whose complexity involves new scientific challenges. Aside this main laser-matter interaction activity, a lot of experimental and numerical knowledge has been gathered at ISL within domains like spectrometry, thermodynamics or mechanics. Techniques and devices were developed to study separately each aspect concerned by this topic; optical characterization, thermal investigations, chemical reactions analysis or mechanical examinations are beyond carried out to neatly estimate essential key values. Results from these diverse tasks are then incorporated into analytic or FE numerical models that were elaborated, for example, to predict thermal repercussion on explosive charges or mechanical failures of structures. These simulations highlight the influence of each phenomenon during the laser irradiation and forecast experimental observations with good accuracy.

Keywords: composite materials, countermeasure, experimental work, high-energy laser, laser-matter interaction, modeling

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Authors: Nikolaos Reppas, Yilin Gui, Ben Wetenhall, Colin Davie

Abstract:

Injection of CO2 inside wellbore can induce different kind of loadings that can lead to thermal, hydraulic, and mechanical changes on the surrounding rock. A dual-porosity theoretical constitutive model will be presented for the stability analysis of the wellbore during CO2 injection. An elastoplastic damage response will be considered. A bounding yield surface will be presented considering damage effects on sandstone. The main target of the research paper is to present a theoretical constitutive model that can help industries to safely store CO2 in geological rock formations and forecast any changes on the surrounding rock of the wellbore. The fully coupled elasto-plastic damage Thermo-Hydraulic-Mechanical theoretical model will be validated from existing experimental data for sandstone after simulating some scenarios by using FEM on MATLAB software.

Keywords: carbon capture and storage, rock mechanics, THM effects on rock, constitutive model

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Authors: N. Belas, O. Belaribi, S. Aggoun, K. Bendani, N. Bouhamou, A. Mebrouki

Abstract:

This experimental work is a part of a long research on the valorization of the dam dredged sediments issued from Fergoug Dam (Mascara-West Algeria). These sediments have to be subjected to thermal treatment to become reactive with the cement and thus to obtain an artificial pozzolana. It is therefore a question of developing the calcined mud as substitutable material in part to the cement used in the composition of self compacting concrete. The objective of the present work is to highlight its influence on the behavior of self compacting concrete compared to that of the natural pozzolana and this, in fresh and hardened states. The study is being conducted on three SCC, the first using 20% in volume of natural pozzolana, the second with 20 % of calcined mud and the third for the sake of comparison is made with cement only. The first results showed the possibility of obtaining SCC with calcined mud complying with the AFGC recommendations having a good mechanical behavior which makes interesting its development as construction materials.

Keywords: dam, fresh state, hardened state mud, sediments, self compacting concrete, valorization

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Authors: Nadia Allouache

Abstract:

The concept of second law is assumed to be important to optimize the energy losses in heat exchangers. The present study is devoted to the numerical prediction of entropy generation due to heat transfer and friction in a double tube heat exchanger partly or fully filled with a porous medium. The goal of this work is to find the optimal conditions that allow minimizing entropy generation. For this purpose, numerical modeling based on the control volume method is used to describe the flow and heat transfer phenomena in the fluid and the porous medium. Effects of the porous layer thickness, its permeability, and the effective thermal conductivity have been investigated. Unexpectedly, the fully porous heat exchanger yields a lower entropy generation than the partly porous case or the fluid case even if the friction increases the entropy generation.

Keywords: heat exchangers, porous medium, second law approach, turbulent flow

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Authors: João Paulo Pascon

Abstract:

A constitutive model accounting for large strains, thermoviscoplasticity, and ductile damage evolution is proposed in the present work. To this end, a fully Lagrangian framework is employed, considering plane stress conditions and multiplicative split of the deformation gradient. The full model includes Gurson’s void growth, nucleation and coalescence, plastic work heating, strain and strain-rate hardening, thermal softening, and heat conductivity. The contribution of the work is the combination of all the above-mentioned features within the finite-strain setting. The model is implemented in a computer code using triangular finite elements and nonlinear analysis. Two mechanical examples involving ductile damage and finite strain levels are analyzed: an inhomogeneous tension specimen and the necking problem. Results demonstrate the capabilities of the developed formulation regarding ductile fracture and large deformations.

Keywords: ductile damage model, finite element method, large strains, thermoviscoplasticity

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