Search results for: metal surface structure

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

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Authors: Jinge Liu, Shuyuan Min, Bingchuan Liu, Bangzhao Yin, Bo Peng, Peng Wen, Yun Tian

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WE43 magnesium alloy can be additively manufactured via laser powder bed fusion (LPBF) for biodegradable applications, but the as-built WE43 exhibits an excessively rapid corrosion rate. High-temperature oxidation (HTO) was performed on the as-built WE43 to improve its biodegradation behavior. A sandwich structure including an oxide layer at the surface, a transition layer in the middle, and the matrix was generated influenced by the oxidation reaction and diffusion of RE atoms when heated at 525 ℃for 8 hours. The oxide layer consisted of Y₂O₃ and Nd₂O₃ oxides with a thickness of 2-3 μm. The transition layer is composed of α-Mg and Y₂O₃ with a thickness of 60-70 μm, while Mg24RE5 could be observed except α-Mg and Y₂O₃. The oxide layer and transition layer appeared to have an effective passivation effect. The as-built WE43 lost 40% weight after the in vitro immersion test for three days and finally broke into debris after seven days of immersion. The high-temperature oxidation samples kept the structural integrity and lost only 6.88 % weight after 28-day immersion. The corrosion rate of HTO samples was significantly controlled, which improved the biocompatibility of the as-built WE43 at the same time. The samples after HTO had better osteogenic capability according to ALP activity. Moreover, as built WE43 performed unqualified in cell adhesion and hemolytic test due to its excessively rapid corrosion rate. While as for HTO samples, cells adhered well, and the hemolysis ratio was only 1.59%.

Keywords: laser powder bed fusion, biodegradable metal, high temperature oxidation, biodegradation behavior, WE43

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Authors: Karthik K. R, Viswanath V, Asraff A. K

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The first stage of a new-generation launch vehicle of ISRO makes use of large pressure vessels made of Aluminium alloy AA2219 to store fuel and oxidizer. These vessels have many weld joints that may contain cracks or crack-like defects during their fabrication. These defects may propagate across the vessel during pressure testing or while in service under the influence of tensile stresses leading to catastrophe. Though ductile materials exhibit significant stable crack growth prior to failure, it is not generally acceptable for an aerospace component. There is a need to predict the initiation of stable crack growth. The structural integrity of the vessel from fracture considerations can be studied by constructing the Failure Assessment Diagram (FAD) that accounts for both brittle fracture and plastic collapse. Critical crack sizes of the pressure vessel may be highly conservative if it is predicted from FAD alone. If the J-R curve for material under consideration is available apriori, the critical crack sizes can be predicted to a certain degree of accuracy. In this paper, a novel approach is proposed to predict the integrity of a weld in a pressure vessel made of AA2219 material. Fracture parameter ‘J-integral’ at the crack front, evaluated through finite element analyses, is used in the new procedure. Based on the simulation of tension tests carried out on SCT specimens by NASA, a cut-off value of J-integral value (J?ᵤₜ_ₒ??) is finalised. For the pressure vessel, J-integral at the crack front is evaluated through FE simulations incorporating different surface cracks at long seam weld in a cylinder and in dome petal welds. The obtained J-integral, at vessel level, is compared with a value of J?ᵤₜ_ₒ??, and the integrity of vessel weld in the presence of the surface crack is firmed up. The advantage of this methodology is that if SCT test data of any metal is available, the critical crack size in hardware fabricated using that material can be predicted to a better level of accuracy.

Keywords: FAD, j-integral, fracture, surface crack

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Authors: Partha P. Gopmandal, Somnath Bhattacharyya, Naren Bag

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In this article, we have studied the effect of pH-regulated surface charge on the electroosmotic flow (EOF) through nanochannel filled with binary symmetric electrolyte solution. The channel wall possesses either an acidic or a basic functional group. Going beyond the widely employed Debye-Huckel linearization, we develop a mathematical model based on Nernst-Planck equation for the charged species, Poisson equation for the induced potential, Stokes equation for fluid flow. A finite volume based numerical algorithm is adopted to study the effect of key parameters on the EOF. We have computed the coupled governing equations through the finite volume method and our results found to be in good agreement with the analytical solution obtained from the corresponding linear model based on low surface charge condition or strong electrolyte solution. The influence of the surface charge density, reaction constant of the functional groups, bulk pH, and concentration of the electrolyte solution on the overall flow rate is studied extensively. We find the effect of surface charge diminishes with the increase in electrolyte concentration. In addition for strong electrolyte, the surface charge becomes independent of pH due to complete dissociation of the functional groups.

Keywords: electroosmosis, finite volume method, functional group, surface charge

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Authors: Andrea Alfaro Barajas, Arturo I. Martinez

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3D photothermal structure of carbon was synthesized using PET bottles waste and sodium chloride through controlled carbonization. Characterization techniques such as X-ray photoelectron spectroscopy, X-ray diffraction, BET, scanning electron microscopy (SEM), transmission electron microscopy (TEM), Raman spectroscopy, spectrophotometry, and mechanical compression were carried out. The carbon showed physical integrity > 90%, an absorbance > 90% between 300-1000nm of the solar spectrum, and a high specific surface area from 450 to 620 m2/g. The X-ray was employed to examine the phase structure; the obtained pattern shows an amorphous material. A higher intensity of band D with respect to band G was confirmed by Raman Spectroscopy. C-OH, COOH, C-O, and C-C bonds were obtained from the deconvolution of the high-resolution C1s orbital. Macropores of 160 to 180µm and micropores of 0.5 to 2nm were observed by SEM and TEM images, respectively. Such combined characteristics of carbon confer efficient evaporation of water under 1 sun irradiation > 60%.

Keywords: solar-absorber, carbon, water-evaporation, interfacial

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Authors: S. Asad Ali Gillani, Ahmed Toumi, Anaclet Turatsinze

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After a certain period of time, the degradation of concrete structures is unavoidable. For large concrete areas, thin bonded cement-based overlay is a suitable rehabilitation technique. Previous research demonstrated that durability of bonded cement-based repairs is always a problem and one of its main reasons is deboning at interface. Since durability and efficiency of any repair system mainly depend upon the bond between concrete substrate and repair material, the bond between concrete substrate and repair material can be improved by increasing the surface roughness. The surface roughness can be improved by performing surface treatment of the concrete substrate to enhance mechanical interlocking which is one of the basic mechanisms of adhesion between two surfaces. In this research, bond tensile strength of cement-based overlays having substrate surface prepared using different techniques has been characterized. In first step cement based substrate was prepared and then cured for three months. After curing two different types of the surface treatments were performed on this substrate; cutting and sandblasting. In second step overlay was cast on these prepared surfaces, which were cut and sandblasted surfaces. The overlay was also cast on the surface without any treatment. Finally, bond tensile strength of cement-based overlays was evaluated in direct tension test and the results are discussed in this paper.

Keywords: concrete substrate, surface preparation, overlays, bond tensile strength

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Authors: Asma Lamin, Anna H. Kaksonen, Ivan Cole, Paul White, Xiao-Bo Chen

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Microbiologically influenced corrosion (MIC) is a process in which microorganisms initiate, facilitate, or accelerate the electrochemical corrosion reactions of metallic components. Several reports documented that MIC accounts for about 20 to 40 % of the total cost of corrosion. Biofilm formation due to the presence of microorganisms on the surface of metal components is known to play a vital role in MIC, which can lead to severe consequences in various environmental and industrial settings. Quorum sensing (QS) system plays a major role in regulating biofilm formation and control the expression of some microbial enzymes. QS is a communication mechanism between microorganisms that involves the regulation of gene expression as a response to the microbial cell density within an environment. This process is employed by both Gram-positive and Gram-negative bacteria to regulate different physiological functions. QS involves production, detection, and responses to signalling chemicals, known as auto-inducers. QS controls specific processes important for the microbial community, such as biofilm formation, virulence factor expression, production of secondary metabolites and stress adaptation mechanisms. The use of QS inhibitors (QSIs) has been proposed as a possible solution to biofilm related challenges in many different applications. Although QSIs have demonstrated some strength in tackling biofouling, QSI-based strategies to control microbially influenced corrosion have not been thoroughly investigated. As such, our research aims to target the QS mechanisms as a strategy for mitigating MIC on metal surfaces in engineered systems.

Keywords: quorum sensing, quorum quenching, biofilm, biocorrosion

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Authors: G. Omarova, S. Assubayeva, S. Tugambay, K. Bulegenov

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The article discusses the problem of developing a methodology for studying thin and nanoscale gold in ores and placers of primary deposits, which will allow us to develop schemes for revealing dispersed gold inclusions and thus improve its recovery rate to increase the gold reserves of the Republic of Kazakhstan. The type of studied gold, is characterized by a number of features. In connection with this, the conditions of its concentration and distribution in ore bodies and formations, as well as the possibility of reliably determining it by "traditional" methods, differ significantly from that of fine gold (less than 0.25 microns) and even more so from that of larger grains. The mineral composition of rocks (metasomatites) and gold ore and the mineralization associated with them was studied in detail on the Kalba ore field in Kazakhstan. Mineralized zones were identified and samples were taken from them for analytical studies. The research revealed paragenetic relationships of newly formed mineral formations at the nanoscale, which makes it possible to clarify the conditions for formation of deposits with a particular type of mineralization. This will provide significant assistance in developing a scheme for study. Typomorphic features of gold were revealed, and mechanisms of formation and aggregation of gold nanoparticles were proposed. The presence of a large number of particles isolated at the laboratory stage from concentrates of gravitational enrichment can serve as an indicator of the presence of even smaller particles in the object. Even the most advanced devices based on gravitational methods for gold concentration provide extraction of metal at a level of around 50%, while pulverized metal is extracted much worse, and gold of less than 1 micron size is extracted at only a few percent. Therefore, when particles of gold smaller than 10 microns are detected, their actual numbers may be significantly higher than expected. In particular, at the studied sites, enrichment of slurry and samples with volumes up to 1 m³ was carried out using a screw lock or separator to produce a final concentrate weighing up to several kilograms. Free gold particles were extracted from the concentrates in the laboratory using a number of processes (magnetic and electromagnetic separation, washing with bromoform in a cup to obtain an ultracontentrate, etc.) and examined under electron microscopes to investigate the nature of their surface and chemical composition. The main result of the study was the detection of gold nanoparticles located on the surface of loose metal grains. The most characteristic forms of gold secretions are individual nanoparticles and aggregates of different configurations. Sometimes, aggregates form solid dense films, deposits, and crusts, all of which are confined to the negative forms of the nano- and microrelief on the surfaces of golden. The results will provide significant knowledge about the prevalence and conditions for the distribution of fine and nanoscale gold in Kazakhstan deposits, as well as the development of methods for studying it, which will minimize losses of this type of gold during extraction.

Keywords: electron microscopy, microminerology, placers, thin and nanoscale gold

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Authors: Rudi Kurniawan Arief

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Manufacturing cost and setup time are the hot topics to improve in Metal Stamping industry because material and components price are always rising up while costumer requires to cut down the component price year by year. The Single Minute Exchange of Die (SMED) is one of many methods to reduce waste in stamping industry. The Japanese Quick Die Change (QDC) dies system is one of SMED systems that could reduce both of setup time and manufacturing cost. However, this system is rarely used in stamping industries. This paper will analyze how deep the QDC dies system could reduce setup time and the manufacturing cost. The research is conducted by direct observation, simulating and comparing of QDC dies system with conventional dies system. In this research, we found that the QDC dies system could save up to 35% of manufacturing cost and reduce 70% of setup times. This simulation proved that the QDC die system is effective for cost reduction but must be applied in several parallel production processes.

Keywords: press die, metal stamping, QDC system, single minute exchange die, manufacturing cost saving, SMED

Procedia PDF Downloads 164

Authors: Xia Chen, Hua-Quan Yang, Shi-Hua Zhou

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Alkali-active sandstone aggregate was ground by vertical and ball mill into particles with residue over 45 μm less than 12%, and investigations have been launched on particles distribution and characterization of ground sandstone powder, fluidity, heat of hydration, strength as well as hydration products morphology of pastes with incorporation of ground sandstone powder. Results indicated that ground alkali-active sandstone powder with residue over 45 μm less than 8% was easily obtainable, and specific surface area was more sensitive to characterize its fineness with extension of grinding length. Incorporation of sandstone powder resulted in higher water demand and lower strength, advanced hydration of C₃A and C₂S within 3days and refined pore structure. Based on its manufacturing, characteristics and influence on properties of pastes, it was concluded that sandstone powder was a good selection for use in concrete as mineral admixture.

Keywords: concrete, mineral admixture, hydration, structure

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Authors: Rui-Xiong Han, Rui Ge, Shao-Peng Li, Lin Bian, Liang-Rui Sun, Min-Jing Sang, Rui Ye, Ya-Ping Liu, Xiang-Zhen Zhang, Jie-Hao Zhang, Zhuo Zhang, Jian-Qing Zhang, Miao-Fu Xu

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The Chinese Accelerator Driven Sub-critical system (C-ADS) uses a high-energy proton beam to bombard the metal target and generate neutrons to deal with the nuclear waste. The Chinese ADS proton linear has two 0~10 MeV injectors and one 10~1500 MeV superconducting linac. Injector-I is studied by the Institute of High Energy Physics (IHEP) under construction in the Beijing, China. The linear accelerator consists of two accelerating cryomodules operating at the temperature of 2 Kelvin. This paper describes the structure and thermal performances analysis of the cryomodule. The analysis takes into account all the main contributors (support posts, multilayer insulation, current leads, power couplers, and cavities) to the static and dynamic heat load at various cryogenic temperature levels. The thermal simulation analysis of the cryomodule is important theory foundation of optimization and commissioning.

Keywords: C-ADS, cryomodule, structure, thermal simulation, static heat load, dynamic heat load

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Authors: Annisa Dewanti Putri, Wang Juan, Y. Qing Shan

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The structural assessment is one of a crucial part for ancient timber structure, in which this phase will be the reference for the maintenance and preservation phase. The mechanical properties of a structure are one of an important component of the structural assessment of building. Feiyun as one of the particular preserved building in China will become one of the Pioneer of Timber Structure Building Assessment. The 3-storey building which is located in Shanxi Province consists of complex ancient timber structure. Due to condition and preservation purpose, assessments (visual inspections, Non-Destructive Test and a Semi Non-Destructive test) were conducted. The stress wave measurement, moisture content analyzer, and the micro-drilling resistance meter data will overview the prediction of Mechanical Properties. As a result, the mechanical properties can be used for the next phase as reference for structural damage solutions.

Keywords: ancient structure, mechanical properties, non destructive test, stress wave, structural assessment, timber structure

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Authors: K. Veluraja

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Glycan of glycolipids and glycoproteins is playing a significant role in living systems particularly in molecular recognition processes. Molecular recognition processes are attributed to their occurrence on the surface of the cell, sequential arrangement and type of sugar molecules present in the oligosaccharide structure and glyosidic linkage diversity (glycoinformatics) and conformational diversity (glycoconformatics). Molecular Dynamics Simulation study is a theoretical-cum-computational tool successfully utilized to establish glycoconformatics of glycan. The study on various oligosaccharides of glycan clearly indicates that oligosaccharides do exist in multiple conformational states and these conformational states arise due to the flexibility associated with a glycosidic torsional angle (φ,ψ) . As an example: a single disaccharide structure NeuNacα(2-3) Gal exists in three different conformational states due to the differences in the preferential value of glycosidic torsional angles (φ,ψ). Hence establishing three dimensional structural and conformational models for glycan (cartesian coordinates of every individual atoms of an oligosaccharide structure in a preferred conformation) is quite crucial to understand various molecular recognition processes such as glycan-toxin interaction and glycan-virus interaction. The gycoconformatics models obtained for various glycan through Molecular Dynamics Simulation stored in our 3DSDSCAR (3DSDSCAR.ORG) a public domain database and its utility value in understanding the molecular recognition processes and in drug design venture will be discussed.

Keywords: glycan, glycoconformatics, molecular dynamics simulation, oligosaccharide

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Authors: Daniele Calvi, Loris Franchi, Sabrina Corpino

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Thanks to the latest Mars mission, the planetary exploration has made enormous strides over the past ten years increasing the interest of the scientific community and beyond. These missions aim to fulfill many complex operations which are of paramount importance to mission success. Among these, a special mention goes to the Entry, Descent and Landing (EDL) functions which require a dedicated system to overcome all the obstacles of these critical phases. The general objective of the system is to safely bring the spacecraft from orbital conditions to rest on the planet surface, following the designed mission profile. For this reason, this work aims to develop a simulation tool integrating the re-entry trajectory algorithm in order to support the EDL design during the preliminary phase of the mission. This tool was used on a reference unmanned mission, whose objective is finding bio-evidence and bio-hazards on Martian (sub)surface in order to support the future manned mission. Regarding the concept of operations (CONOPS) of the mission, it concerns the use of Space Penetrator Systems (SPS) that will descend on Mars surface following a ballistic fall and will penetrate the ground after the impact with the surface (around 50 and 300 cm of depth). Each SPS shall contain all the instrumentation required to sample and make the required analyses. Respecting the low-cost and low-mass requirements, as result of the tool, an Entry Descent and Impact (EDI) system based on inflatable structure has been designed. Hence, a solution could be the one chosen by Finnish Meteorological Institute in the Mars Met-Net mission, using an inflatable Thermal Protection System (TPS) called Inflatable Braking Unit (IBU) and an additional inflatable decelerator. Consequently, there are three configurations during the EDI: at altitude of 125 km the IBU is inflated at speed 5.5 km/s; at altitude of 16 km the IBU is jettisoned and an Additional Inflatable Braking Unit (AIBU) is inflated; Lastly at about 13 km, the SPS is ejected from AIBU and it impacts on the Martian surface. Since all parameters are evaluated, it is possible to confirm that the chosen EDI system and strategy verify the requirements of the mission.

Keywords: EDL, Mars, mission, SPS, TPS

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Authors: Iddy Iddy, Qin Jiang, Changkuan Zhang

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This paper addresses the hydraulic performance of curtain wall breakwaters as a coastal structure protection based on the particles method modelling. The hydraulic functions of curtain wall as wave barriers by reflecting large parts of incident waves through the vertical wall, a part transmitted and a particular part was dissipating the wave energies through the eddy flows formed beneath the lower end of the plate. As a Lagrangian particle, the Moving Particle Semi-implicit (MPS) method which has a robust capability for numerical representation has proven useful for design of structures application that concern free-surface hydrodynamic flow, such as wave breaking and overtopping. In this study, a vertical two-dimensional numerical model for the simulation of violent flow associated with the interaction between the curtain-wall breakwaters and progressive water waves is developed by MPS method in which a higher precision pressure gradient model and free surface particle recognition model were proposed. The wave transmission, reflection, and energy dissipation of the vertical wall were experimentally and theoretically examined. With the numerical wave flume by particle method, very detailed velocity and pressure fields around the curtain-walls under the action of waves can be computed in each calculation steps, and the effect of different wave and structural parameters on the hydrodynamic characteristics was investigated. Also, the simulated results of temporal profiles and distributions of velocity and pressure in the vicinity of curtain-wall breakwaters are compared with the experimental data. Herein, the numerical investigation of hydraulic performance of curtain wall breakwaters indicated that the incident wave is largely reflected from the structure, while the large eddies or turbulent flows occur beneath the curtain-wall resulting in big energy losses. The improved MPS method shows a good agreement between numerical results and analytical/experimental data which are compared to related researches. It is thus verified that the improved pressure gradient model and free surface particle recognition methods are useful for enhancement of stability and accuracy of MPS model for water waves and marine structures. Therefore, it is possible for particle method (MPS method) to achieve an appropriate level of correctness to be applied in engineering fields through further study.

Keywords: curtain wall breakwaters, free surface flow, hydraulic performance, improved MPS method

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Authors: S. Ziaran, M. Musil, M. Cekan, O. Chlebo

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The paper analyzes the response of buildings and industrially structures on seismic waves (low frequency mechanical vibration) generated by blasting operations. The principles of seismic analysis can be applied for different kinds of excitation such as: earthquakes, wind, explosions, random excitation from local transportation, periodic excitation from large rotating and/or machines with reciprocating motion, metal forming processes such as forging, shearing and stamping, chemical reactions, construction and earth moving work, and other strong deterministic and random energy sources caused by human activities. The article deals with the response of seismic, low frequency, mechanical vibrations generated by nearby blasting operations on a residential home. The goal was to determine the fundamental natural frequencies of the measured structure; therefore it is important to determine the resonant frequencies to design a suitable modal damping. The article also analyzes the package of seismic waves generated by blasting (Primary waves – P-waves and Secondary waves S-waves) and investigated the transfer regions. For the detection of seismic waves resulting from an explosion, the Fast Fourier Transform (FFT) and modal analysis, in the frequency domain, is used and the signal was acquired and analyzed also in the time domain. In the conclusions the measured results of seismic waves caused by blasting in a nearby quarry and its effect on a nearby structure (house) is analyzed. The response on the house, including the fundamental natural frequency and possible fatigue damage is also assessed.

Keywords: building structure, seismic waves, spectral analysis, structural response

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Authors: Boda Sreenivas, Lyathakula Ravindranath, Kanugula Srishailam, Byru Venkatram Reddy

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Extensive research into the optimized structure and molecular properties of 3-Flouro-2-methylbenzoicacid(FMB), 3-Chloro-2-methoxybenzoicacid (CMB), and 3-Bromo-2-methylbenzoicacid (BMB) was carried out using FT-IR, FT-Raman and UV-Visible spectra, as well as theoretically using the DFT approach with B3LYPfunctional in conjunction with 6-311++G(d,p) basis set. The optimized structure was determined by evaluating torsional scans about free rotation bonds. Structure parameters, harmonic vibrational frequencies, potential energy distribution(PED), and infrared and Raman intensities were computed. The computational results from the DFT approach, such asFT-IR, FT-Raman, and UV-Visible spectra, were compared with the experimental results and found good agreement. Observed and calculated frequencies agreed with an rms error of 8.42, 6.60, and 6.95 cm-1 for FMB, CMB, and BMB, respectively. Unambiguous vibrational assignments were made for all fundamentals using PED and eigenvectors. The electronic HOMO-LUMO, H-bonding, and strong conjugative interactions across different molecular entities are discussed using experimental and simulated Ultraviolet-Visible spectra. The title molecules' molecular properties such as dipole moment, mean polarizability, and first-order hyperpolarizability, were calculated to study their non-linear optical (NLO) behavior. The chemical reactivity descriptors and mapped electrostatic surface potential (MESP) were also evaluated. Natural bond orbital (NBO) analysis was used to examine the stability of molecules resulting from hyperconjugative interactions and charge delocalization.

Keywords: ftir/raman spectra, DFT, NLO, homo-lumo, NBO, halogenated benzoic acids

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Authors: Temesgen Geremew

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The excessive emission of heavy metal ions from industrial processes poses a serious threat to both the environment and human health. This study presents a distinct approach utilizing (PTh-MnS/CoS NPs) for the highly selective and sensitive detection of Hg²⁺ ions in water. Such detection is crucial for safeguarding human health, protecting the environment, and accurately assessing toxicity. The fabrication method employs a simple and efficient chemical precipitation technique, harmoniously combining polythiophene, MnS, and CoS NPs to create highly active substrates for SERS. The MnS@Hg²⁺ exhibits a distinct Raman shift at 1666 cm⁻¹, enabling specific identification and demonstrating the highest responsiveness among the studied semiconductor substrates with a detection limit of only 1 nM. This investigation demonstrates reliable and practical SERS detection for Hg²⁺ ions. Relative standard deviation (RSD) ranged from 0.49% to 9.8%, and recovery rates varied from 96% to 102%, indicating selective adsorption of Hg²⁺ ions on the synthesized substrate. Furthermore, this research led to the development of a remarkable set of substrates, including (MnS, CoS, MnS/CoS, and PTh-MnS/CoS) nanoparticles were created right there on SiO₂/Si substrate, all exhibiting sensitive, robust, and selective SERS for Hg²⁺ ion detection. These platforms effectively monitor Hg²⁺ concentrations in real environmental samples.

Keywords: surface-enhanced raman spectroscopy (SERS), sensor, mercury ions, nanoparticles, and polythiophene.

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Authors: N. Boshkova, K. Kamburova, N. Tabakova, N. Boshkov, Ts. Radeva

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Coatings based on polyaniline (PANI) can improve the resistance of steel against corrosion. In this work, the preparation of stable suspensions of colloidal PANI-SiO₂ particles, suitable for obtaining of composite anticorrosive coating on steel, is described. Electrokinetic data as a function of pH are presented, showing that the zeta potentials of the PANI-SiO₂ particles are governed primarily by the charged groups at the silica oxide surface. Electrosteric stabilization of the PANI-SiO₂ particles’ suspension against aggregation is realized at pH>5.5 (EB form of PANI) by adsorption of positively charged polyelectrolyte molecules onto negatively charged PANI-SiO₂ particles. The PANI-SiO₂ particles are incorporated by electrodeposition into the metal matrix of zinc in order to obtain composite (hybrid) coatings. The latter are aimed to ensure sacrificial protection of steel mainly in aggressive media leading to local corrosion damages. The surface morphology of the composite zinc coatings is investigated with SEM. The influence of PANI-SiO₂ particles on the cathodic and anodic processes occurring in the starting electrolyte for obtaining of the coatings is followed with cyclic voltammetry. The electrochemical and corrosion behavior is evaluated with potentiodynamic polarization curves and polarization resistance measurements. The beneficial effect of the stabilized PANI-SiO₂ particles for the increased protective ability of the composites is commented and discussed.

Keywords: corrosion, polyaniline-silica particles, zinc, protective ability

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Authors: D.Rached, M.Rabah

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First principles calculations are carried out to investigate the structural, electronic, and elastic properties of the utraincompressible materials, namely, noble metal carbide of Rhenium carbide (ReC) in four phases, the rocksalt (NaCl-B1), zinc blende (ZB-B2), the tungsten carbide(Bh) (WC), and the nickel arsenide (NiAs-B8).The ground state properties such as the equilibrium lattice constant, elastic constants, the bulk modulus its pressure derivate, and the hardness of ReC in these phases are systematically predicted by calculations from first–principles. The corresponding calculated bulk modulus is comparable with that of diamond, especially for the B8 –type rhenium carbide (ReC), the incompressibility along the c axis is demonstrated to exceed the linear incompressibility of diamond. Our calculations confirm in the nickel arsenide (B8) structure the ReC is found to be stable with a large bulk modulus B=440 GPa and the tungsten carbide (WC) structure becomes the most more favourable with to respect B3 and B1 structures, which ReC- WC is meta-stable. Furthermore, the highest bulk modulus values in the zinc blende (B3), rock salt (B1), tungsten carbide (WC), and the nickel arsenide (B8) structures (294GPa, 401GPa, 415GPa and 447 GPa, respectively) indicates that ReC is a hard material, and is superhard compound H(B8)= 36 GPa compared with the H(diamond)=96 GPa and H(c BN)=63.10 GPa.

Keywords: DFT, FP-LMTO, mechanical properties, elasticity, high pressure, thermodynamic properties, hard material

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Authors: Karen B. Ghazaryan

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Recently, the propagation of coupled electromagnetic and elastic waves in magneto-electro-elastic (MEE) structures attracted much attention due to the wide range of application of these materials in smart structures. MEE materials are a class of new artificial composites that consist of simultaneous piezoelectric and piezomagnetic phases. Magneto-electro-elastic composites are built up by combining piezoelectric and piezomagnetic phases to obtain a smart composite that presents not only the electromechanical and magneto-mechanical coupling but also a strong magnetoelectric coupling, which makes such materials highly valuable in technological usage. In the framework of quasi-static approach shear surface and localized waves are considered in magneto-electro-elastic piezo-active structure consisting of functionally graded 6mm hexagonal symmetry group crystals. Assuming that in a functionally graded material the elastic and electromagnetic properties vary in the same proportion in direction perpendicular to the MEE polling direction, special classes of inhomogeneity functions were found, admitting exact solutions for coupled electromagnetic and elastic wave fields. Based on these exact solutions, defining the coupled shear wave field in magneto-electro-elastic composites several modal problems are considered: shear surface waves propagation along surface of a MEE half-space, interfacial wave propagation in a MEE oppositely polarized bi-layer, Love type waves in a functionally graded MEE layer overlying a homogeneous elastic half-space. For the problems under consideration corresponding dispersion equations are deduced analytically in an explicit form and for the BaTiO₃–CoFe₂O₄ crystal numerical results estimating effects of inhomogeneity and piezo effect are carried out.

Keywords: surface shear waves, magneto-electro-elastic composites, piezoactive crystals, functionally graded elastic materials

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Authors: Asad Naeem, Minsung Kim, Jinkoo Kim

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In this work, the effectiveness of damped cable systems (DCS) on the mitigation of earthquake-induced response of a framed structure is investigated. The seismic performance of DCS is investigated using fragility analysis and life cycle cost evaluation of an existing building retrofitted with DCS, and the results are compared with those of the structure retrofitted with viscous dampers. The comparison of the analysis results reveals that, due to the self-centering capability of the DCS, residual displacement becomes nearly zero in the structure retrofitted with the DCS. According to the fragility analysis, the structure retrofitted with the DCS has smaller probability of reaching a limit states compared to the structure with viscous dampers. It is also observed that both the initial and life cycle costs of the DCS method required for the seismic retrofit is smaller than those of the structure retrofitted with viscous dampers. Acknowledgment: This research was supported by a grant (17CTAP-C132889-01) from Technology Advancement Research Program (TARP) funded by Ministry of Land, Infrastructure, and Transport of Korean government.

Keywords: damped cable system, seismic retrofit, self centering, fragility analysis

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Authors: Soulef Amamria, Mohamed Sadok Bensalem, Mohamed Ghanmi

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The structural and sedimentological study of fault-related- folds in the Southern Tunisian Atlas is distinguished by a special geometry of the gravitational structures. This distinct geometry is observable in the example of a flap structure in Jebel Ben Zannouch with the formation of a stuck syncline. This geometry can be explained by the mechanism of major thrusting in Orbata anticline in the occidental extremity of Gafsa chains, with asymmetrical flank dips and hinge migration kinematics. These kinematics was originally controlled by the Breakthrough structure; the study of this special geometry of gravity flap structure depends on the sedimentation domain, shortening ratios, and erosion speed. This study constitutes one of the complete examples of kinematic model validation on a field scale.

Keywords: fault-related-folds, southern Tunisian Atlas, flap structure, breakthrough

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Authors: Rameh Chauhan

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Tunnel construction in Himalayan rock is a challenging task due to fragile nature of the strata. Tunnel excavation carried out from lower Himalayas to high Himalayas in different metamorphic rock. Therefore application of engineering geology plays a vital role during various stage of the tunneling projects. Engineering geology is defined as application of geology to construction of civil structures through engineering practice. It is applied to the design, construction and performance aspects of engineering structure on the surface or sub-surface like dam, underground and surface power house, cut slopes, tunnels and underground storage cavern for nuclear material. But this paper emphasized mostly on underground structures like big caverns of Power house, desilting chambers, and tunnels of various sizes. Construction of these structures in the fragile rock conditions of Himalayan geology from Western Himalayas to Eastern Himalayas necessitated the application of the engineering geology on the micro-scale base for the stability, performance, and longevity of the civil structures. Number of hydropower projects have been constructed, some of them are under construction and under investigation stage. These projects are located in various parts of Himalayas under various seismic-tectonic zones. Tunneling works are involved in these projects. This paper represents the various engineering geological practices adopted in investigation and construction stage of various projects based on experiences gained during past construction histories in Himalayan geology of young mountains in very fragile geological conditions. Highlighting and sharing of use of these techniques on various platforms will definitely enhance the knowledge for carrying out the construction of various projects for the development of society. Construction of the tunnels, surface, and sub-surface caverns, dams, highway, metro, highway tunnels are all based on engineering geological parameters in combinations with other engineering considerations.

Keywords: cavern-power house, desilting chambers and tunnels, seismic-tectonic-zones, earthquake-prone zones based on intensities

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Authors: Waleed M. Al-Othman, Hamid Bayati, Abdullah Al-Shahrani, Haitham Al-Jabr

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Pearlite bands commonly form parallel to the surface of the hot rolled steel and have significant influence on the properties of the steel. This study investigated the correlation between segregation pattern of Mn, Si, C and formation of the pearlite bands in hot rolled Gr 60 steel plate. Microstructural study indicated formation of a distinguished thick band at centerline of the plate with number of parallel bands through thickness of the steel plate. The thickness, frequency, and continuity of the bands are reduced from mid-thickness toward external surface of the steel plate. Analysis showed a noticeable increase of C, Si and Mn levels within the bands. Such alloying segregation takes place during metal solidification. EDS analysis verified presence of particles rich in Ti, Nb, Mn, C, N, within the bands. Texture analysis by Electron Backscatter Detector (EBSD) indicated the grains size/misorientation can noticeably change within the bands. Effect of banding on through-thickness properties of the steel was examined by carrying out microhardness, toughness and tensile tests. Results suggest the Mn and C contents are changed in sinusoidal pattern through thickness of the hot rolled plate and pearlite bands are formed at the peaks of this sinusoidal segregation pattern. Changes in grain size/misorientation, formation of highly alloyed particles, and pearlite within these bands, facilitate crack formation along boundaries of these bands.

Keywords: pearlite band, alloying segregation, hot rolling, Ti, Nb, N, C

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Authors: Bingjie Wang, Su-Yeon Kwon, Ik-Joong Kang

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The goal of this experiment is to develop a sensor that can quickly check the concentration by using the nanoparticles made by chitosan and gold. Using chitosan nanoparticles crosslinking with sodium tripolyphosphate(TPP) is the first step to form the chitosan nanoparticles, which would be covered with the gold sequentially. The size of the fabricated product was around 100nm. Based on the method that the sulfur end of the MPA linked to gold can form the very strong S–Au bond, and the carboxyl group, the other end of the MPA, can easily absorb the GABA. As for the GABA, what is the primary inhibitory neurotransmitter in the mammalian central nervous system in the human body. It plays such significant role in reducing neuronal excitability pass through the nervous system. A Surface-enhanced Raman Scattering (SERS) as the principle for enhancing Raman scattering by molecules adsorbed on rough metal surfaces or by nanostructures is used to detect the concentration change of γ-Aminobutyric Acid (GABA). When the system is formed, it generated SERS, which made a clear difference in the intensity of Raman scattering within the range of GABA concentration. So it is obtained from the experiment that the calibration curve according to the GABA concentration relevant with the SERS scattering. In this study, DLS, SEM, FT-IR, UV, SERS were used to analyze the products to obtain the conclusion.

Keywords: mercaptopropionic acid, chitosan-gold nanoshell, γ-aminobutyric acid, surface-enhanced raman scattering

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Authors: Abdelmajid Timoumi, Salah Alamri, Hatem Alamri

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TiO₂ Graphene Oxide (TiO₂-GO) nanocomposite was prepared using the spin coating technique of suspension of Graphene Oxide (GO) nanosheets and Titanium Tetra Isopropoxide (TIP). The prepared nanocomposites samples were characterized by X-ray diffractometer, Scanning Electron Microscope and Atomic Force Microscope to examine their structures and morphologies. UV-vis transmittance and reflectance spectroscopy was employed to estimate band gap energies. From the TiO₂-GO samples, a 0.25 μm thin layer on a piece of glass 2x2 cm was created. The X-ray diffraction analysis revealed that the as-deposited layers are amorphous in nature. The surface morphology images demonstrate that the layers grew in distributed with some spherical/rod-like and partially agglomerated TiGO on the surface of the composite. The Atomic Force Microscopy indicated that the films are smooth with slightly larger surface roughness. The analysis of optical absorption data of the layers showed that the values of band gap energy decreased from 3.46 eV to 1.40 eV, depending on the grams of GO doping. This reduction might be attributed to electron and/or hole trapping at the donor and acceptor levels in the TiO₂ band structure. Observed results have shown that the inclusion of GO in the TiO₂ matrix have exhibited significant and excellent properties, which would be promising for application in the photovoltaic application.

Keywords: titanium dioxide, graphene oxide, thin films, solar cells

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Authors: Angga S. Fajar, A. Aminullah, J. Kiyono, R. A. Safitri

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This paper discusses about the application of ANN for optimizing of bridge structure design. ANN has been applied in various field of science concerning prediction and optimization. The structural optimization has several benefit including accelerate structural design process, saving the structural material, and minimize self-weight and mass of structure. In this paper, there are three types of bridge structure that being optimized including PSC I-girder superstructure, composite steel-concrete girder superstructure, and RC bridge pier. The different optimization strategy on each bridge structure implement back propagation method of ANN is conducted in this research. The optimal weight and easier design process of bridge structure with satisfied error are achieved.

Keywords: bridge structures, ANN, optimization, back propagation

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Authors: Khodzhaberdi Allaberdiev

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In order to understand the interactions on the interface polyamide fibers and epoxy matrix in fiber- reinforced composites were investigated industrial aramid fibers: armos, svm, terlon using individual epoxy matrix components, epoxies: diglycidyl ether of bisphenol A (DGEBA), three- and diglycidyl derivatives of m, p-amino-, m, p-oxy-, o, m,p-carboxybenzoic acids, the models: curing agent, aniline and the compound, that depict of the structure the primary addition reaction the amine to the epoxy resin, N-di (oxyethylphenoxy) aniline. The chemical structure of the surface of untreated and treated polyamide fibers analyzed using Fourier transform infrared spectroscopy (FTIR). The impregnation of fibers with epoxy matrix components and N-di (oxyethylphenoxy) aniline has been carried out by heating 150˚C (6h). The optimum fiber loading is at 65%.The result a thermal treatment is the covalent bonds formation , derived from a combined of homopolymerization and crosslinking mechanisms in the interfacial region between the epoxy resin and the surface of fibers. The reactivity of epoxy resins on interface in microcomposites (MC) also depends from processing aids treated on surface of fiber and the absorbance moisture. The influences these factors as evidenced by the conversion of epoxy groups values in impregnated with DGEBA of the terlons: industrial, dried (in vacuum) and purified samples: 5.20 %, 4.65% and 14.10%, respectively. The same tendency for svm and armos fibers is observed. The changes in surface composition of these MC were monitored by X-ray photoelectron spectroscopy (XPS). In the case of the purified fibers, functional groups of fibers act as well as a catalyst and curing agent of epoxy resin. It is found that the value of the epoxy groups conversion for reinforced formulations depends on aromatic polyamides nature and decreases in the order: armos >svm> terlon. This difference is due of the structural characteristics of fibers. The interfacial interactions also examined between polyglycidyl esters substituted benzoic acids and polyamide fibers in the MC. It is found that on interfacial interactions these systems influences as well as the structure and the isomerism of epoxides. The IR-spectrum impregnated fibers with aniline showed that the polyamide fibers appreciably with aniline do not react. FTIR results of treated fibers with N-di (oxyethylphenoxy) aniline fibers revealed dramatically changes IR-characteristic of the OH groups of the amino alcohol. These observations indicated hydrogen bondings and covalent interactions between amino alcohol and functional groups of fibers. This result also confirms appearance of the exo peak on Differential Scanning Calorimetry (DSC) curve of the MC. Finally, the theoretical evaluation non-covalent interactions between individual epoxy matrix components and fibers has been performed using the benzanilide and its derivative contaning the benzimidazole moiety as a models of terlon and svm,armos, respectively. Quantum-topological analysis also demonstrated the existence hydrogen bond between amide group of models and epoxy matrix components.All the results indicated that on the interface polyamide fibers and epoxy matrix exist not only covalent, but and non-covalent the interactions during the preparation of MC.

Keywords: epoxies, interface, modeling, polyamide fibers

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Authors: Kumaresh Selvakumar, Man Young Kim

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In order to elaborate the main idea of investigating the flow physics inside the catalytic combustor, the characteristics of the catalytic surface reactions are analyzed by employing the CHEMKIN methodology with detailed gas and surface chemistries. The presence of a catalyst inside an engine enables complete combustion at lower temperatures which promotes desired chemical reactions. A single channel from the honeycomb monolith catalytic combustor is preferred to analyze the gas and surface reactions in the catalyst bed considering the fact that every channel in the honeycomb monolith behaves in similar fashion. The simplified approach with single catalyst channel using plug flow reactor can be used to predict the flow behavior inside the catalytic combustor. The hydrogen addition to the combustion reactants offers a way to light-off catalytic combustion of methane on platinum catalyst and aids to reduce the surface ignition temperature. Indeed, the hydrogen adsorption is higher on the uncovered Pt(s) surface sites because the sticking coefficient of hydrogen is larger than that of methane. The location of flame position in the catalyst bed is validated by igniting the methane fuel with the presence of hydrogen for corresponding multistep surface reactions.

Keywords: catalytic combustor, hydrogen adsorption, plug flow reactor, surface ignition temperature

Procedia PDF Downloads 342