Search results for: quantum mechanical calculations

Authors: Kadda Boumediene, Mohamed Ziani

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Mainly because of their good ratio stiffness/mass, and in addition to adjustable mechanical properties, composite materials are more and more often used as an alternative to traditional materials in several domains. Before using these materials in practical application, a detailed and precise characterization of their mechanical properties is necessary. In the present work, we will find a dynamic analyze of composite beam (natural frequencies and mode shape), an experimental vibration technique, which presents a powerful tool for the estimation of mechanical characteristics, is used to characterize a dissimilar beam of a Mortar/ natural mineral fiber. The study is completed by an analytic (Rayleigh & Rayleigh-Ritz), experimental and numerical application for non-uniform composite beam of a Mortar/ natural mineral fiber. The study is supported by a comparison between numerical and analytic results as well as a comparison between experimental and numerical results.

Keywords: composite beam, mortar/ natural mineral fiber, mechanical characteristics, natural frequencies, mode shape

Procedia PDF Downloads 348

Authors: R. Khenata, T. Djied, R. Ahmed, H. Baltache, S. Bin-Omran, A. Bouhemadou

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We predict structural, phase transition as well as opto-electronic properties of the filled-tetrahedral (Nowotny-Juza) NaZnAs compound in this study. Calculations are carried out by employing the full potential (FP) linearized augmented plane wave (LAPW) plus local orbitals (lo) scheme developed within the structure of density functional theory (DFT). Exchange-correlation energy/potential (EXC/VXC) functional is treated using Perdew-Burke and Ernzerhof (PBE) parameterization for generalized gradient approximation (GGA). In addition to Trans-Blaha (TB) modified Becke-Johnson (mBJ) potential is incorporated to get better precision for optoelectronic properties. Geometry optimization is carried out to obtain the reliable results of the total energy as well as other structural parameters for each phase of NaZnAs compound. Order of the structural transitions as a function of pressure is found as: Cu2Sb type → β → α phase in our study. Our calculated electronic energy band structures for all structural phases at the level of PBE-GGA as well as mBJ potential point out; NaZnAs compound is a direct (Γ–Γ) band gap semiconductor material. However, as compared to PBE-GGA, mBJ potential approximation reproduces higher values of fundamental band gap. Regarding the optical properties, calculations of real and imaginary parts of the dielectric function, refractive index, reflectivity coefficient, absorption coefficient and energy loss-function spectra are performed over a photon energy ranging from 0.0 to 30.0 eV by polarizing incident radiation in parallel to both [100] and [001] crystalline directions.

Keywords: NaZnAs, FP-LAPW+lo, structural properties, phase transition, electronic band-structure, optical properties

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Authors: Slim Souissi, Mohamed Ben Amar, Nesrine Bouhamed, Pierre Marechal

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The bio-composites development from biodegradable materials and natural fibers has a growing interest in the science of composite materials. The present work was conducted as part of a cooperation project between the Sfax University and the Havre University. This work consists in developing and monitoring the properties of a composite material of olive flour wood with a polymer matrix (urea formaldehyde). For this, ultrasonic non-destructive and destructive methods of characterization were used to optimize the mechanical and acoustic properties of the studied material based on the elaboration parameters.

Keywords: bio-composite, olive flour wood, polymer matrix, ultrasonic methods, mechanical properties

Procedia PDF Downloads 489

Authors: Samaneh Yavari, Christiane Pferrer, Elisabeth Engelke, Alexander Starke, Juergen Rehage

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Background: Three nociceptive thresholds of thermal, electrical, and mechanical thresholds commonly use to evaluate the local anesthesia in many species, for instance, cow, horse, cat, dog, rabbit, and so on. Due to the lack of investigations to evaluate and/or validate such those nociceptive thresholds, our plan was the comparison of two-foot local anesthesia methods of Intravenous Regional Anesthesia (IVRA) and our modified four-point Nerve Block Anesthesia (NBA). Materials and Methods: Eight healthy nonpregnant nondairy Holstein Frisian cows in a cross-over study design were selected for this study. All cows divided into two different groups to receive two local anesthesia techniques of IVRA and our modified four-point NBA. Three thermal, electrical, and mechanical force and pinpricks were applied to evaluate the quality of local anesthesia methods before and after local anesthesia application. Results: The statistical evaluation demonstrated that our four-point NBA has a qualification to select as a standard foot local anesthesia. However, the recorded results of our study revealed no significant difference between two groups of local anesthesia techniques of IVRA and modified four-point NBA related to quality and duration of anesthesia stimulated by electrical, mechanical and thermal nociceptive stimuli. Conclusion and discussion: All three nociceptive threshold stimuli of electrical, mechanical and heat nociceptive thresholds can be applied to measure and evaluate the efficacy of foot local anesthesia of dairy cows. However, our study revealed no superiority of those three nociceptive methods to evaluate the duration and quality of bovine foot local anesthesia methods. Veterinarians to investigate the duration and quality of their selected anesthesia method can use any of those heat, mechanical, and electrical methods.

Keywords: mechanical, thermal, electrical threshold, IVRA, NBA, hind limb, dairy cow

Procedia PDF Downloads 241

Authors: Isomar Lima da Silva, Alcilene Batalha Pontes, Aristeu Jonatas Leite de Oliveira, Roberto Maia Augusto

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Context: Mechanical ventilators are medical devices that help provide oxygen and ventilation to patients with respiratory difficulties. This equipment consists of a manual breathing unit that can be operated by a doctor or nurse and a mechanical ventilator that controls the airflow and pressure in the patient's respiratory system. This type of ventilator is commonly used in emergencies and intensive care units where it is necessary to provide breathing support to critically ill or injured patients. Objective: In this context, this work aims to develop a reliable and low-cost mechanical ventilator to meet the demand of hospitals in treating people affected by Covid-19 and other severe respiratory diseases, offering a chance of treatment as an alternative to mechanical ventilators currently available in the market. Method: The project presents the development of a low-cost auxiliary ventilator with a controlled ventilatory system assisted by integrated hardware and firmware for respiratory cycle control in non-invasive mechanical ventilation treatments using a manual artificial respiration unit. The hardware includes pressure sensors capable of identifying positive expiratory pressure, peak inspiratory flow, and injected air volume. The embedded system controls the data sent by the sensors. It ensures efficient patient breathing through the operation of the sensors, microcontroller, and actuator, providing patient data information to the healthcare professional (system operator) through the graphical interface and enabling clinical parameter adjustments as needed. Results: The test data of the developed mechanical ventilator presented satisfactory results in terms of performance and reliability, showing that the equipment developed can be a viable alternative to commercial mechanical ventilators currently available, offering a low-cost solution to meet the increasing demand for respiratory support equipment.

Keywords: mechanical fans, breathing, medical equipment, COVID-19, intensive care units

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Authors: Ahmad Odeh

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Researchers are currently more concerned about the calculations of energy at the operational stage, mainly due to its larger environmental impact, but the fact remains, embodied energies represent a substantial contributor unaccounted for in the overall energy computation method. The calculation of materials’ embodied energy during the construction stage is complicated. This is due to the various factors involved. The equipment used, fuel needed, and electricity required for each type of materials varies with location and thus the embodied energy will differ for each project. Moreover, the method used in manufacturing, transporting and putting in place will have significant influence on the materials’ embodied energy. This anomaly has made it difficult to calculate or even bench mark the usage of such energies. This paper presents a model aimed at calculating embodied energies based on such variabilities. It presents a systematic approach that uses an efficient method of calculation to provide a new insight for the selection of construction materials. The model is developed in a BIM environment. The quantification of materials’ energy is determined over the three main stages of their lifecycle: manufacturing, transporting and placing. The model uses three major databases each of which contains set of the construction materials that are most commonly used in building projects. The first dataset holds information about the energy required to manufacture any type of materials, the second includes information about the energy required for transporting the materials while the third stores information about the energy required by machinery to place the materials in their intended locations. Through geospatial data analysis, the model automatically calculates the distances between the suppliers and construction sites and then uses dataset information for energy computations. The computational sum of all the energies is automatically calculated and then the model provides designers with a list of usable equipment along with the associated embodied energies.

Keywords: BIM, lifecycle energy assessment, building automation, energy conservation

Procedia PDF Downloads 187

Authors: Abdullah Kaymakci, Daniel M. Madyira, Ntokozo Nkwanyana

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The effect of metal transfer modes on mechanical properties of welded 3CR12 stainless steel were investigated. This was achieved by butt welding 10 mm thick plates of 3CR12 in different positions while varying the welding positions for different metal transfer modes. The ASME IX: 2010 (Welding and Brazing Qualifications) code was used as a basis for welding variables. The material and the thickness of the base metal were kept constant together with the filler metal, shielding gas and joint types. The effect of the metal transfer modes on the microstructure and the mechanical properties of the 3CR12 steel was then investigated as it was hypothesized that the change in welding positions will affect the transfer modes partly due to the effect of gravity. The microscopic examination revealed that the substrate was characterized by dual phase microstructure, that is, alpha phase and beta phase grain structures. Using the spectroscopic examination results and the ferritic factor calculation had shown that the microstructure was expected to be ferritic-martensitic during air cooling process. The tested tensile strength and Charpy impact energy were measured to be 498 MPa and 102 J which were in line with mechanical properties given in the material certificate. The heat input in the material was observed to be greater than 1 kJ/mm which is the limiting factor for grain growth during the welding process. Grain growths were observed in the heat affected zone of the welded materials. Ferritic-martensitic microstructure was observed in the microstructure during the microscopic examination. The grain growth altered the mechanical properties of the test material. Globular down hand had higher mechanical properties than spray down hand. Globular vertical up had better mechanical properties than globular vertical down.

Keywords: welding, metal transfer modes, stainless steel, microstructure, hardness, tensile strength

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Authors: Erion Luga, Aksel Seitllari, Kemal Pervanqe

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This study investigates the relation between physical and mechanical properties of concrete paving stones using neuro-fuzzy approach. For this purpose 200 samples of concrete paving stones were selected randomly from different sources. The first phase included the determination of physical properties of the samples such as water absorption capacity, porosity and unit weight. After that the indirect tensile strength test and compressive strength test of the samples were performed. İn the second phase, adaptive neuro-fuzzy approach was employed to simulate nonlinear mapping between the above mentioned physical properties and mechanical properties of paving stones. The neuro-fuzzy models uses Sugeno type fuzzy inference system. The models parameters were adapted using hybrid learning algorithm and input space was fuzzyfied by considering grid partitioning. It is concluded based on the observed data and the estimated data through ANFIS models that neuro-fuzzy system exhibits a satisfactory performance.

Keywords: paving stones, physical properties, mechanical properties, ANFIS

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Authors: B. Niez, B. Moulia, J. Dlouha, E. Badel

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Trees adjust their development to the environmental conditions they experience. Storms events of last decades showed that acclimation of trees to mechanical stresses due to wind is a very important process that allows the trees to sustain for long years. In the future, trees will experience new wind patterns, namely, more often strong winds and fewer daily moderate winds. Moreover, these patterns will go along with drought periods that may interact with the capacity of trees to adjust their growth to mechanical stresses due to wind. It is necessary to understand the mechanisms of wood functional acclimations to environmental conditions in order to predict their behaviour and in order to give foresters and breeders the relevant tools to adapt their forest management. This work aims to study how trees adjust the mechanical and hydraulic functions of their wood to environmental stresses and how this acclimation may be beneficial for the tree to resist to future stresses. In this work, young poplars were grown under controlled climatic conditions that include permanent environmental stress (daily mechanical stress of the stem by bending and/or hydric stress). Then, the properties of wood formed under these stressed conditions were characterized. First, hydraulic conductivity and sensibility to cavitation were measured at the tissue level in order to evaluate the changes in water transport capacity. Secondly, bending tests and Charpy impact tests were carried out at the millimetric scale to locally measure mechanical parameters such as elastic modulus, elastic limit or rupture energy. These experimental data allow evaluating the impacts of mechanical and water stress on the wood material. At the stem level, they will be merged in an integrative model in order to evaluate the beneficial aspect of wood acclimation for trees.

Keywords: acclimation, environmental stresses, hydraulics, mechanics, wood

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Authors: Giorgio Visentin, Alexei A. Buchachenko

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Recent proposals to use Yb dimer as an optical clock and as a sensor for non-Newtonian gravity imply the knowledge of its interaction potential. Here, the ground-state Born-Oppenheimer Yb₂ potential energy curve is represented by a semi-analytical function, consisting of short- and long-range contributions. For the former, the systematic ab initio all-electron exact 2-component scalar-relativistic CCSD(T) calculations are carried out. Special care is taken to saturate diffuse basis set component with the atom- and bond-centered primitives and reach the complete basis set limit through n = D, T, Q sequence of the correlation-consistent polarized n-zeta basis sets. Similar approaches are used to the long-range dipole and quadrupole dispersion terms by implementing the CCSD(3) polarization propagator method for dynamic polarizabilities. Dispersion coefficients are then computed through Casimir-Polder integration. The semiclassical constraint on the number of the bound vibrational levels known for the ¹⁷⁴Yb isotope is used to scale the potential function. The scaling, based on the most accurate ab initio results, bounds the interaction energy of two Yb atoms within the narrow 734 ± 4 cm⁻¹ range, in reasonable agreement with the previous ab initio-based estimations. The resulting potentials can be used as the reference for more sophisticated models that go beyond the Born-Oppenheimer approximation and provide the means of their uncertainty estimations. The work is supported by Russian Science Foundation grant # 17-13-01466.

Keywords: ab initio coupled cluster methods, interaction potential, semi-analytical function, ytterbium dimer

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Authors: Jiyaul Haque, Vandana Srivastava, M. A. Quraishi

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The amino acids based corrosion inhibitors 2-(3-(carboxymethyl)-1H-imidazol-3-ium-1-yl) acetate (Z-1),2-(3-(1-carboxyethyl)-1H-imidazol-3-ium-1-yl) propanoate (Z-2) and 2-(3-(1-carboxy-2-phenylethyl)-1H-imidazol-3-ium-1-yl)-3- phenylpropanoate (Z-3) were synthesized by the reaction of amino acids, glyoxal and formaldehyde, and characterized by the FTIR and NMR spectroscopy. The corrosion inhibition performance of synthesized inhibitors was studied by electrochemical (EIS and PDP), surface and DFT methods. The results show, the studied Z-1, Z-2 and Z-3 are effective inhibitors, showed the maximum inhibition efficiency of 88.52 %, 89.48 and 96.08% at concentration 200ppm, respectively. The results of potentiodynamic polarization (PDP) study showed that Z-1 act as a cathodic inhibitor, while Z-2 and Z-3 act as mixed type inhibitors. The results of electrochemical impedance spectroscopy (EIS) studies showed that zwitterions inhibit the corrosion through adsorption mechanism. The adsorption of synthesized zwitterions on the mild steel surface was followed the Langmuir adsorption isotherm. The formation of zwitterions film on mild steel surface was confirmed by the scanning electron microscope (SEM) and energy-dispersive X-ray spectroscopy (EDX). The quantum chemical parameters were used to study the reactivity of inhibitors and supported the experimental results. An inhibitor adsorption model is proposed.

Keywords: electrochemical impedance spectroscopy, green corrosion inhibitors, mild steel, SEM, quantum chemical calculation, zwitterions

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Authors: Huixin Wei, Shibin Wang, Linan Li, Lei Zhou, Xinhao Tu

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Facial skin is a biomedical material with complex mechanical properties of anisotropy, viscoelasticity, and hyperelasticity. The mechanical properties of facial skin are crucial for a number of applications including facial plastic surgery, animation, dermatology, cosmetic industry, and impact biomechanics. Skin is a complex multi-layered material which can be broadly divided into three main layers, the epidermis, the dermis, and the hypodermis. Collagen fibers account for 75% of the dry weight of dermal tissue, and it is these fibers which are responsible for the mechanical properties of skin. Many research on the anisotropic mechanical properties are mainly concentrated on in vitro, but there is a great difference between in vivo and in vitro for mechanical properties of the skin. In this study, we presented a method to measure the mechanical properties of facial skin in vivo. Digital image correlation (DIC) and indentation tests were used to obtain the experiment data, including the deformation of facial surface and indentation force-displacement curve. Then, the experiment was simulated using a finite element (FE) model. Application of Computed Tomography (CT) and reconstruction techniques obtained the real tissue geometry. A three-dimensional FE model of facial skin, including a bi-layer system, was obtained. As the epidermis is relatively thin, the epidermis and dermis were regarded as one layer and below it was hypodermis in this study. The upper layer was modeled as a Gasser-Ogden-Holzapfel (GOH) model to describe hyperelastic and anisotropic behaviors of the dermis. The under layer was modeled as a linear elastic model. In conclusion, the material properties of two-layer were determined by minimizing the error between the FE data and experimental data.

Keywords: facial skin, indentation test, finite element, digital image correlation, computed tomography

Procedia PDF Downloads 107

Authors: Isha Saxena, Behzad Kazemtabrizi, Matthias C. M. Troffaes, Christopher Crabtree

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The calculations done at the beginning of the life of a wind farm are rarely reliable, which makes it important to conduct research and study the failure and repair rates of the wind turbines under various conditions. This miscalculation happens because the current models make a simplifying assumption that the failure/repair rate remains constant over time. This means that the reliability function is exponential in nature. This research aims to create a more accurate model using sensory data and a data-driven approach. The data cleaning and data processing is done by comparing the Power Curve data of the wind turbines with SCADA data. This is then converted to times to repair and times to failure timeseries data. Several different mathematical functions are fitted to the times to failure and times to repair data of the wind turbine components using Maximum Likelihood Estimation and the Posterior expectation method for Bayesian Parameter Estimation. Initial results indicate that two parameter Weibull function and exponential function produce almost identical results. Further analysis is being done using the complex system analysis considering the failures of each electrical and mechanical component of the wind turbine. The aim of this project is to perform a more accurate reliability analysis that can be helpful for the engineers to schedule maintenance and repairs to decrease the downtime of the turbine.

Keywords: reliability, bayesian parameter inference, maximum likelihood estimation, weibull function, SCADA data

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Authors: M. Moayeri, A. Kaflou

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Decreasing the size of heat exchangers in industries is favorable due to a reduction in the initial costs and maintenance. This can be achieved generally by increasing the heat transfer coefficient, which can be done by increasing tube surface by passive methods named “porous coat”. Since these coatings are often in contact with the fluid, mechanical strength of coatings should be considered as main concept beside permeability and porosity in design, especially in high velocity services. Powder shape affected mechanical property more than other factors. So in this study, the Copper powder with three different shapes (spherical, dendritic and irregular) was coated on Cu-Ni base metal with thickness of ~300µm in a reduction atmosphere (5% H2-N2) and programmable furnace. The morphology and physical properties of coatings, such as porosity, permeability and mechanical strength were investigated. Results show although irregular particle have maximum porosity and permeability but strength level close to spherical powder, in addition, mentioned particle has low production cost, so for creating porous coats in high velocity services these powder recommended.

Keywords: porous coat, permeability, mechanical strength, porosity

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Authors: Camila Parodi, Viviana Letelier, Giacomo Moriconi

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The cement industry is responsible for around a 5% of the CO2 emissions worldwide and considering that concrete is one of the most used materials in construction its total effect is important. An alternative to reduce the environmental impact of concrete production is to incorporate certain amount of residues in the dosing, limiting the replacement percentages to avoid significant losses in the mechanical properties of the final material. Previous researches demonstrate the feasibility of using brick and rust residues, separately, as a cement replacement. This study analyses the variation in the mechanical properties of mortars by incorporating masonry residue composed of clay bricks and cement mortar. In order to improve the mechanical properties of masonry residue, this was subjected to a heat treatment of 650 ° C for four hours and its effect is analyzed in this study. Masonry residue was obtained from a demolition of masonry perimetral walls. The residues were crushed and sieved and the maximum size of particles used was 75 microns. The percentages of cement replaced by masonry residue were 0%, 10%, 20% and 30%. The effect of masonry residue addition and its heat treatment in the mechanical properties of mortars is evaluated through compressive and flexural strength tests after 7, 14 and 28 curing days. Results show that increasing the amount of masonry residue used increases the losses in compressive strength and flexural strength. However, the use of up to a 20% of masonry residue, when a heat treatment is applied, allows obtaining mortars with similar compressive strength to the control mortar. Masonry residues mortars without a heat treatment show losses in compressive strengths between 15% and 27% with respect to masonry residues with heat treatment, which demonstrates the effectiveness of the heat treatment. From this analysis it can be conclude that it is possible to use up to 20% of masonry residue with heat treatment as cement replacement without significant losses in mortars mechanical properties, reducing considerably the environmental impact of the final material.

Keywords: cement replacement, environmental impact, masonry residue, mechanical properties of recycled mortars

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Authors: Ana Rahma Yuniarti, Ki Moo Lim

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Slowed myocardial conduction velocity (CV) and shortened action potential duration (APD) due to some reason are associated with an increased risk of re-entrant excitation, predisposing to cardiac arrhythmia. That is because both of CV reduction and APD shortening induces shortening of wavelength. In this study, we investigated quantitatively the cardiac mechanical responses under various CV and APD using multi-scale computational model of the heart. The model consisted of electrical model coupled with the mechanical contraction model together with a lumped model of the circulatory system. The electrical model consisted of 149.344 numbers of nodes and 183.993 numbers of elements of tetrahedral mesh, whereas the mechanical model consisted of 356 numbers of nodes and 172 numbers of elements of hexahedral mesh with hermite basis. We performed the electrical simulation with two scenarios: 1) by varying the CV values with constant APD and 2) by varying the APD values with constant CV. Then, we compared the electrical and mechanical responses for both scenarios. Our simulation showed that faster CV and longer APD induced largest resultants wavelength and generated better cardiac pumping efficacy by increasing the cardiac output and consuming less energy. This is due to the long wave propagation and faster conduction generated more synchronous contraction of whole ventricle.

Keywords: conduction velocity, action potential duration, mechanical contraction model, circulatory model

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Authors: Mohamed M. Diab, Koura G. Mohamed, A. Balbaa, Radwan Sh. Ahamed

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Background: Chronic mechanical low back pain (CMLBP) is the most common complaint of the working-age population. Mechanical low back pain is often a chronic, dull, aching pain of varying intensity that affects the lower spine. In the current proposal the hip rotation-CMLBP relationship is based on that limited hip motion will be compensated by motion in the lumbopelvic region and this increase force translates to the lumbar spine. The purpose of this study was to investigate if there a relationship between chronic mechanical low back pain (CMLBP) and hip medial and lateral rotation (peak torque and Range of motion (ROM) in patients with CMLBP. Methods: Sixty patients with CMLBP diagnosed by an orthopedist participated in the current study after signing a consent form. Their mean of age was (23.76±2.39) years, mean of weight (71.8±12.7) (Kg), mean of height (169.65±7.49) (Cm) and mean of BMI (25.5±3.86) (Kg/m2). Visual Analogue Scale (VAS) was used to assess pain. Fluid Filled Inclinometer was used to measure Hip rotation ROM (medial and lateral). Isokinetic Dynamometer was used to measure peak torque of hip rotators muscles (medial and lateral), concentric peak torque with tow Isokinetic speeds (60ᵒ/sec and 180ᵒ/sec) was selected to measure peak torque. Results: The results of this study demonstrated that there is poor relationship between pain and hip external rotation ROM, also there is poor relation between pain and hip internal rotation ROM. There is poor relation between pain and hip internal rotators peak torque and hip external rotators peak torque in both speeds. Conclusion: Depending on the current study it is not recommended to give an importance to hip rotation in treating Chronic Mechanical Low Back Pain.

Keywords: hip rotation ROM, hip rotators strength, low back pain, chronic mechanical

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Authors: Goran Baloevic, Jure Radnic, Nikola Grgic

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The application of frames with masonry or panel infill is common in the engineering practice. In these cases, a frame is often considered to be a primary structure, while an infill is considered to be a secondary structure. In past calculations, the infill was rarely included in the design of frame structures in terms of their bearing capacity and safety. Recent calculations of such structures necessarily include the effect of infill since it contributes to stiffness and bearing capacity of overall system, especially under horizontal loads. In certain cases, if the infill is not included in the seismic design of frame structures, the result can be lower design safety. However, since the different configuration of the infill through the building’s height can be made, it is possible that contribution of such infill to the overall bearing capacity can be lower and seismic forces on the building can be increased due to greater stiffness of the structure. So far, many experimental and numerical researches on the behavior of infilled frames under horizontal static forces and earthquake have been performed. In this paper, several masonry-infilled concrete and steel frames under horizontal static forces and earthquake are analysed. The experimental results by shake-table and numerical results are compared in terms of the bearing capacity of bare and infilled frames. Herein, the stiffness of frames and infill were varied, with different position of the infill and different types of openings. Cases with positive and negative effects of the infill to the bearing capacity of the frames were considered. Finally, main conclusions and recommendations for practical application and design of masonry-infilled concrete and steel frames are given.

Keywords: bearing capacity, infilled frame, numerical model, shake table

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Authors: Włodzimierz Lewandowski, Renata Świsłocka, Aleksandra Golonko, Grzegorz Świderski, Monika Kalinowska

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Caffeic acid (3,4-dihydroxycinnamic) is distributed in a free form or as ester conjugates in many fruits, vegetables and seasonings including plants used for medical purpose. Caffeic acid is present in propolis – a substance with exceptional healing properties used in natural medicine since ancient times. The antioxidant, antibacterial, antiinflammatory and anticarcinogenic properties of caffeic acid are widely described in the literature. The biological activity of chemical compounds can be modified by the synthesis of their derivatives or metal complexes. The structure of the compounds determines their biological properties. This work is a continuation of the broader topic concerning the investigation of the correlation between the electronic charge distribution and biological (anticancer and antioxidant) activity of the chosen phenolic acids and their metal complexes. In the framework of this study the synthesis of new metal complexes of sodium, magnesium, aluminium, iron (III) ruthenium (III) and osmium (III) with caffeic acid was performed. The spectroscopic properties of these compounds were studied by means of FT-IR, FT-Raman, UV-Vis, ¹H and ¹³C NMR. The quantum-chemical calculations (at B3LYP/LAN L2DZ level) of caffeic acid and selected complexes were done. Moreover the antioxidant properties of synthesized complexes were studied in relation to selected stable radicals (method of reduction of DPPH and method of reduction of ABTS). On the basis of the differences in the number, intensity and locations of the bands from the IR, Raman, UV/Vis and NMR spectra of caffeic acid and its metal complexes the effect of metal cations on the electronic system of ligand was discussed. The geometry, theoretical spectra and electronic charge distribution were calculated by the use of Gaussian 09 programme. The geometric aromaticity indices (Aj – normalized function of the variance in bond lengths; BAC - bond alternation coefficient; HOMA – harmonic oscillator model of aromaticity and I₆ – Bird’s index) were calculated and the changes in the aromaticity of caffeic acid and its complexes was discussed. This work was financially supported by National Science Centre, Poland, under the research project number 2014/13/B/NZ7/02-352.

Keywords: antioxidant properties, caffeic acid, metal complexes, spectroscopic methods

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Authors: Dolly Selikane, Thandi Gumede

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Among the commonly studied organic fillers for polycaprolactone (PCL), cellulose is the most promising. It is available in various particle sizes and sources, providing numerous options for finding a suitable match for PCL matrices. In this study, cellulose was extracted from the leaves of E. autumnalis to create a PCL/nanocellulose composite through melt blending. The prepared nanocellulose was blended with PCL at a weight ratio of 97/3, and the resulting composite was characterized by its thermal and mechanical properties. The results showed that the addition of nanocellulose to PCL improved its mechanical properties, with a maximum increase of 29% in tensile strength and 31% in Young's modulus. The SEM analysis confirmed the successful blending of PCL and nanocellulose. The findings of this study suggest that the nanocellulose from Eucomis autumnalis plant has the potential to improve the mechanical properties of PCL and could be used in biomedical and packaging applications.

Keywords: polycaprolactone, medicinal plants, Eucomis autumnalis, nanocellulose, composite

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Authors: Samen Boota, Arslan Ishaq

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More than 4 billion tons of chicken feathers are wasted yearly worldwide which is not environmental friendly. In order to make use of these 4 billion tons of feathers it is necessary to incorporate them to the textile materials. The main objective of this study is to develop the winter wears with improved thermal comfort and mechanical properties. Chick feathers were blended with cotton fibers to spin them into yarn, weave them dye them using reactive dyes. The developed fabric was tested for thermal comfort, tensile and tears strength. The results were also compared with pure cotton fabric of similar GSM. It is observed from the results that chicken feathers and cotton blended fabric was improved thermal comfort and mechanical properties.

Keywords: Alambeta, compatibilizing, permeability, sliver

Procedia PDF Downloads 338

Authors: Olaide O. Wahab, Lukman O. Olasunkanmi, Krishna K. Govender, Penny P. Govender

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The economic and environmental challenges associated with azo disperse dyes applications are due to poor aqueous solubility and low degradation tendency which stems from low chemical reactivity. Poor aqueous solubility property of this group of dyes necessitates the use of dispersing agents which increase operational costs and also release toxic chemical components into the environment, while their low degradation tendency is due to the high stability of the azo functional group (-N=N-) in their chemical structures. To address these problems, this study investigated theoretically the effects of some polar substituents on the aqueous solubility and reactivity properties of disperse yellow (DY) 119 dye with a view to theoretically develop new azo disperse dyes with improved solubility in water and higher degradation tendency in the environment using DMol³ computational code. All calculations were carried out using the Becke and Perdew version of Volsko-Wilk-Nusair (VWN-BP) level of density functional theory in conjunction with double numerical basis set containing polarization function (DNP). The aqueous solubility determination was achieved with conductor-like screening model for realistic solvation (COSMO-RS) in conjunction with known empirical solubility model, while the reactivity was predicted using frontier molecular orbital calculations. Most of the new derivatives studied showed evidence of higher aqueous solubility and degradation tendency compared to the parent dye. We conclude that these derivatives are promising alternative dyes for more economic and environmental benign dyeing practice and therefore recommend them for synthesis.

Keywords: aqueous solubility, azo disperse dye, degradation, disperse yellow 119, DMol³, reactivity

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Authors: Olesia Mikhailova, Pavel Rovnaník

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In the present work, metakaolin-based geopolymer including different polymer admixtures was studied. Different types of commercial polymer admixtures VINNAPAS^® and polyethylene glycol of different relative molecular weight were used as polymer admixtures. The main objective of this work is to investigate the influence of different types of admixtures on the properties of metakaolin-based geopolymer mortars considering their different dosage. Mechanical properties, such as flexural and compressive strength were experimentally determined. Also, study of the microstructure of selected specimens by using a scanning electron microscope was performed. The results showed that the specimen with addition of 1.5% of VINNAPAS^® 7016 F and 10% of polyethylene glycol 400 achieved maximum mechanical properties.

Keywords: geopolymer, mechanical properties, metakaolin, microstructure, polymer admixtures, porosity

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Authors: Alessandro Falconieri, Sara De Vincentiis, Vittoria Raffa

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Mechanical force regulates axonal growth, elongation and maturation processes. This force is opening new frontiers in the field, contributing to a general understanding of the mechanisms of axon growth that, in the past, was thought to be governed exclusively by the growth cone and its ability to influence axonal growth in response to chemical signals. A method recently developed in our laboratory allows, through the labeling of neurons with magnetic nanoparticles (MNPs) and the use of permanent magnets, to apply extremely low mechanical forces, similar to those generated endogenously by the growth cone or by the increase of body mass during the organism growth. We found that these extremely low forces strongly enhance the spontaneous axonal elongation rate as well as neuronal sprouting. Data obtained don’t exclude that local phenomena, such as local transport and local translation, may be involved. These new advances could shed new light on what happens when the cell is subjected to external mechanical forces, opening new interesting scenarios in the field of mechanobiology.

Keywords: axon, external mechanical forces, magnetic nanoparticles, mechanotransduction

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Authors: Rajesh Kumar Ulaganathan, Yi-Ying Lu, Chia-Jung Kuo, Srinivasa Reddy Tamalampudi, Raman Sankar, Fang Cheng Chou, Yit-Tsong Chen

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In this paper, we report the optoelectronic properties of multi-layered GeS nanosheets (~28 nm thick)-based field-effect transistors (called GeS-FETs). The multi-layered GeS-FETs exhibit remarkably high photoresponsivity of Rλ ~ 206 AW-1 under illumination of 1.5 µW/cm2 at  = 633 nm, Vg = 0 V, and Vds = 10 V. The obtained Rλ ~ 206 AW-1 is excellent as compared with a GeS nanoribbon-based and the other family members of group IV-VI-based photodetectors in the two-dimensional (2D) realm, such as GeSe and SnS2. The gate-dependent photoresponsivity of GeS-FETs was further measured to be able to reach Rλ ~ 655 AW-1 operated at Vg = -80 V. Moreover, the multi-layered GeS photodetector holds high external quantum efficiency (EQE ~ 4.0 × 104 %) and specific detectivity (D* ~ 2.35 × 1013 Jones). The measured D* is comparable to those of the advanced commercial Si- and InGaAs-based photodiodes. The GeS photodetector also shows an excellent long-term photoswitching stability with a response time of ~7 ms over a long period of operation (>1 h). These extraordinary properties of high photocurrent generation, broad spectral range, fast response, and long-term stability make the GeS-FET photodetector a highly qualified candidate for future optoelectronic applications.

Keywords: germanium sulfide, photodetector, photoresponsivity, external quantum efficiency, specific detectivity

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Authors: Valeria Corinaldesi, Nicola Generosi, Jacopo Donnini

Abstract:

Ultra high performance concrete (UHPC) is an innovative material which tends to exhibit superior properties such as incredible mechanical and durability performance and non-brittleness behavior. Over the last twenty years, phenomenal advances have taken place in the research and application of UHPC. Recently, the approach is to improve UHPC sustainability by reducing its embodied energy. First of all, this goal can be achieved by reducing Portland cement dosage. In this work, an experimental investigation was carried out to characterize the mechanical behavior and durability of UHPCs prepared by reducing the cement amount by 30% in order to verify the impact of lower cement content and higher water-to-cement ratio on both mechanical performance and durability, if any. Eight different UHPC mixtures were compared, with two different cement dosages (either 1000 or 700 kg) and four different brass-coated steel fibres dosages (0 - 50 - 100 - 150 kg), in terms of 28-day compressive and flexural strengths. Then, the mixtures prepared with the lower cement content were further investigated in terms of abrasion resistance, water absorption, freezing and thawing cycles, and resistance to sulphate attack. Results obtained showed the feasibility of reducing cement dosage without compromising mechanical performance and UHPC's extraordinary durability.

Keywords: abrasion resistance, durability, eco-efficiency, freeze-thawing cycles, steel fibres, sulphate exposure, sustainability, UHPC

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Authors: M. Masłowski, M. Zaborski

Abstract:

Magnetorheological elastomer composites based on micro- and nano-sized magnetite, gamma iron oxide and carbonyl iron powder in ethylene-octene rubber are reported and studied. The method of preparation process influenced the specific properties of MREs (isotropy/anisotropy). The use of extrusion method instead of traditional preparation processes (two-roll mill, mixer) of composites is presented. Micro and nan-sized magnetites as well as gamma iron oxide and carbonyl iron powder were found to be an active fillers improving the mechanical properties of elastomers. They also changed magnetic properties of composites. Application of extrusion process also influenced the mechanical properties of composites and the dispersion of magnetic fillers. Dynamic-mechanical analysis (DMA) indicates the presence of strongly developed secondary structure in vulcanizates. Scanning electron microscopy images (SEM) show that the dispersion improvement had significant effect on the composites properties. Studies investigated by vibration sample magnetometer (VSM) proved that all composites exhibit good magnetic properties.

Keywords: extrusion, magnetic fillers, magnetorheological elastomers, mechanical properties

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Authors: Eung Ryeol Seo, Hee Tae Lim, Eunsuk Bang, Soon Cheol Kweon, Jeoung-Kyo Jeoung, Ji-Hoon Choic

Abstract:

The object of this study is to investigate the effect of pulsator on washing performance quantitatively for front-loading washer. The front-loading washer with pulsator shows washing performance improvement of 18% and the particle-based body simulation technique has been applied to figure out the relation between washing performance and mechanical forces exerted on textile during washing process. As a result, the mechanical forces, such as collision force and strain force, acting on the textile have turned out to be about twice numerically. The washing performance improvement due to additional pulsate system has been utilized for customers to save 50% of washing time.

Keywords: front-loading washer, mechanical force, fabric movement, pulsator, time-saving

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Authors: Yun Sun, Meng Xun, Jingtao Zhou, Ming Li, Qiang Kan, Zhi Jin, Xinyu Liu, Dexin Wu

Abstract:

Higher speed short-wavelength vertical-cavity surface-emitting lasers (VCSELs) working at high temperature are required for future optical interconnects. In this work, the high-speed 850 nm VCSELs are designed, fabricated and characterized. The temperature dependent static and dynamic performance of devices are investigated by using current-power-voltage and small signal modulation measurements. Temperature-stable high-speed properties are obtained by employing highly strained multiple quantum wells and short cavity length of half wavelength. The temperature dependent photon lifetimes and carrier radiative times are determined from damping factor and resonance frequency obtained by fitting the intrinsic optical bandwidth with the two-pole transfer function. In addition, an analytical theoretical model including the strain effect is development based on model-solid theory. The calculation results indicate that the better high temperature performance of VCSELs can be attributed to the strong confinement of holes in the quantum wells leading to enhancement of the carrier transit time.

Keywords: vertical cavity surface emitting lasers, high speed modulation, optical interconnects, semiconductor lasers

Procedia PDF Downloads 124

Authors: Khaled Benyounes

Abstract:

Determination of the rock mechanical properties such as unconfined compressive strength UCS, Young’s modulus E, and tensile strength by the Brazilian test Rtb is considered to be the most important component in drilling and mining engineering project. Research related to establishing correlation between strength and physical parameters of rocks has always been of interest to mining and reservoir engineering. For this, many rock blocks of limestone were collected from the quarry located in Meftah(Algeria), the cores were crafted in the laboratory using a core drill. This work examines the relationships between mechanical properties and some physical properties of limestone. Many empirical equations are established between UCS and physical properties of limestone (such as dry bulk density, velocity of P-waves, dynamic Young’s modulus, alteration index, and total porosity). Others correlations UCS-tensile strength, dynamic Young’s modulus-static Young’s modulus have been find. Based on the Mohr-Coulomb failure criterion, we were able to establish mathematical relationships that will allow estimating the cohesion and internal friction angle from UCS and indirect tensile strength. Results from this study can be useful for mining industry for resolve range of geomechanical problems such as slope stability.

Keywords: limestone, mechanical strength, Young’s modulus, porosity

Procedia PDF Downloads 448