Search results for: quantum mechanical calculations

Authors: Seyfullah Madakbaş, Ferhat Şen, Memet Vezir Kahraman

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The aim of this study was to improve thermal stability, mechanical and surface properties of thermoplastic polyurethane (TPU) with the addition of BaTiO3. The TPU/ BaTiO3 composites having various ratios of TPU and BaTiO3 were prepared. The chemical structure of the prepared composites was investigated by FT-IR. FT-IR spectra of TPU/ barium titanate composites show that they successfully were prepared. Thermal stability of the samples was evaluated by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The prepared composites showed high thermal stability, and the char yield increased as barium titanate content increased. The glass transition temperatures of the composites rise with the addition of barium titanate. Mechanical properties of the samples were characterized with stress-strain test. The mechanical properties of the TPU were increased with the contribution of the contribution of the barium titanate it increased. Hydrophobicity of the samples was determined by the contact angle measurements. The contact angles have the tendency to increase the hydrophobic behavior on the surface, when barium titanate was added into TPU. Moreover, the surface morphology of the samples was investigated by a scanning electron microscopy (SEM). SEM-EDS mapping images showed that barium titanate particles were dispersed homogeneously. Finally, the obtained results prove that the prepared composites have good thermal, mechanical and surface properties and that they can be used in many applications such as the electronic devices, materials engineering and other emergent.

Keywords: barium titanate, composites, thermoplastic polyurethane, scanning electron microscopy

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Authors: R. Mohan, V. Jadhav, A. Ahmed, J. Rivas, A. Kelkar

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Cementitious materials are an excellent example of a composite material with complex hierarchical features and random features that range from nanometer (nm) to millimeter (mm) scale. Multi-scale modeling of complex material systems requires starting from fundamental building blocks to capture the scale relevant features through associated computational models. In this paper, molecular dynamics (MD) modeling is employed to predict the effect of plasticizer additive on the mechanical properties of key hydrated cement constituent calcium-silicate-hydrate (CSH) at the molecular, nanometer scale level. Due to complexity, still unknown molecular configuration of CSH, a representative configuration widely accepted in the field of mineral Jennite is employed. The effectiveness of the Molecular Dynamics modeling to understand the predictive influence of material chemistry changes based on molecular/nanoscale models is demonstrated.

Keywords: cement composite, mechanical properties, molecular dynamics, plasticizer additives

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Authors: P. Fernández-Morales, D. Peláez, C. Isaza, J. M. Meza, E. Mendoza

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Mg AZ31B alloy sheets were processed through equal-channel angular sheet drawing (ECASD) process, following the route A and C at room temperature and varying the processing speed. SEM was used to analyze the microstructure. The grain size was refined and presence of twins was observed. Vickers microhardness and tensile testing were carried out to evaluate the mechanical properties, showing in general; a remarkable increase in the first pass and slight increases during subsequent passes and, that the route C produces better uniform properties distribution through the thickness of the samples.

Keywords: ECASD, Mg Alloy, mechanical properties, microstructure

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Authors: Pahirangan Sivapatham, , Esser Barbara

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The impacts of the asphalt mix design, the properties of aggregates and quality differences in the same type of bitumen, as well as the dosage rate of reclaimed asphalt on the relevant material parameter of the analytical pavement design method are not known. Due to that, in this study, the influence of the above mentioned characteristics on relevant material parameters has been determined and analyzed by means of the analytical pavement calculations method. Therefore, material parameters for several asphalt mixes for asphalt wearing course, asphalt binder course and asphalt base course have been determined. Thereby several bitumens of the same type from different producer’s have been used. In addition, asphalt base course materials with three different dosages of reclaimed asphalt have been produced and tested. As material parameter according to the German analytical pavement design guide(RDO Asphalt), the stiffness’s at different temperatures and fatigue behavior have been determined. The findings of asphalt base course materials produced with several pen graded bitumen from different producers and different dosages of reclaimed asphalt indicate the distinct impact on fatigue behaviors and mechanical properties. The calculated test results of the analytical pavement design method show significant differences in the lifetimes. The pavement design calculation is to carry out by means of the actual material parameter. The calculated lifetime of the asphalt base course materials differentiates by the factor 3.2. The determining test results of bitumen characteristics meet the requirement according to the German Standards. But, further investigations of bitumen in different aging conditions show significant differences in their quality. The fatigue behavior and stiffness of asphalt pavement improves with increasing dosage of reclaimed asphalt. Furthermore, the type of aggregates used shows no significant influences.

Keywords: reclaimed asphalt pavement, quality differences in the bitumen, life time calculation, Asphalt mix with RAP

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Authors: Omar Concepcion, Osvaldo De Melo, Arturo Escobosa

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Topological insulator (TI) materials are insulating in the bulk and conducting in the surface. The unique electronic properties associated with these surface states make them strong candidates for exploring innovative quantum phenomena and as practical applications for quantum computing, spintronic and nanodevices. Many materials, including Bi₂Te₃, have been proposed as TIs and, in some cases, it has been demonstrated experimentally by angle-resolved photoemission spectroscopy (ARPES), scanning tunneling spectroscopy (STM) and/or magnetotransport measurements. A clean surface is necessary in order to make any of this measurements. Several techniques have been used to produce films and different kinds of nanostructures. Growth and characterization in situ is usually the best option although cleaving the films can be an alternative to have a suitable surface. In the present work, we report a comparison of Bi₂Te₃ grown by physical vapor transport (PVT) and molecular beam epitaxy (MBE). The samples were characterized by X-ray diffraction (XRD), Scanning electron microscopy (SEM), Atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS) and ARPES. The Bi₂Te₃ samples grown by PVT, were cleaved in the ultra-high vacuum in order to obtain a surface free of contaminants. In both cases, the XRD shows a c-axis orientation and the pole diagrams proved the epitaxial relationship between film and substrate. The ARPES image shows the linear dispersion characteristic of the surface states of the TI materials. The samples grown by PVT, a relatively simple and cost-effective technique shows the same high quality and TI properties than the grown by MBE.

Keywords: Bismuth telluride, molecular beam epitaxy, physical vapor transport, topological insulator

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Authors: Debabrata Auddya, Bradley J. Roth

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The mechanical bidomain model is used to describe a colony of cells growing on a substrate. Analytical expressions are derived for the intracellular and extracellular displacements. Mechanotransduction events are driven by the difference between the displacements in the two spaces, corresponding to the force acting on integrins. The equation for the displacement consists of two terms: one proportional to the radius that is the same in the intracellular and extracellular spaces (the monodomain term) and one that is proportional to a modified Bessel function that is responsible for mechanotransduction (the bidomain term). The model predicts that mechanotransduction occurs within a few length constants of the colony’s edge, and an expression for the length constant contains the intracellular and extracellular shear moduli and the spring constant of the integrins coupling the two spaces. The model predictions are qualitatively consistent with experiments on human embryonic stem cell colonies, in which differentiation is localized near the edge.

Keywords: cell colony, integrin, mechanical bidomain model, stem cell, stress-strain, traction force

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Authors: S. Subrmanian, A. Siva, R. Raghul

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In modern construction industry, usage of cold form composite slab has its scope widely due to its light weight, high structural properties and economic factor. To enhance the structural integrity, mechanical interlocking or frictional interlocking was introduced. The role of mechanical interlocking or frictional interlocking is to increase the longitudinal shear between the profiled sheet and concrete. This paper deals with the experimental evaluation of three types of mechanical interlocking devices namely normal stud shear connector, J-Type shear connector, U-Type shear connector. An attempt was made to evolve the shear connector which can be suitable for the composite slab as an interlocking device. Totally six number of composite slabs have been experimented with three types of shear connectors and comparison study is made. The outcome was compared with numerical model was created by ABAQUS software and analyzed for comparative purpose. The result was U-Type shear connector provided better performance and resistance.

Keywords: composite slabs, shear connector, end slip, longitudinal shear

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Authors: Katarzyna Falkowicz

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The work focused on the original concept of a thin-walled plate element with a cut-out, for use as a spring or load-bearing element. The subject of the study were rectangular plates with a cut-out with variable geometrical parameters and with a variable angle of fiber arrangement, made of a carbon-epoxy composite with high strength properties in an asymmetrical arrangement, subjected to uniform compression. The influence of geometrical parameters of the cut-out and the angle of fiber arrangement on the value of critical load of the structure and buckling form was investigated. Uniform thin plates are relatively cheap to manufacture, however due to their low bending stiffness; they can carry relatively small loads. The lowest form of loss of plate stability, which is the bending form, leads to its rapid destruction due to high deflection increases, with a slight increase in compressive load - low rigidity of the structure. However, the stiffness characteristics of the structure change significantly when the work of plate is forcing according to the higher flexural-torsional form of buckling. The plate is able to carry a much higher compressive load while maintaining much stiffer work characteristics in the post-critical range. The calculations carried out earlier show that plates with forced higher form of buckling are characterized by stable, progressive paths of post-critical equilibrium, enabling their use as elastic elements. The characteristics of such elements can be designed in a wide range by changing the geometrical parameters of the cut-out, i.e. height and width as well as by changing the angle of fiber arrangement The commercial ABAQUS program using the finite element method was used to develop the discrete model and perform numerical calculations. The obtained results are of significant practical importance in the design of structures with elastic elements, allowing to achieve the required maintenance characteristics of the device.

Keywords: buckling mode, numerical method, unsymmetrical laminates, thin-walled elastic elements

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Authors: S. Habibi, T. E. Guarcia, A. Megueni, A. Ziadi, L. Aminallah, A. S. Bouchikhi

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The characterization of the microstructure of Dual Phase steel in various low-carbon, with a yield stress between 400 and 900 MPa were conducted .In order to assess the mechanical properties of steel, we examined the influence of their chemical compositions interictal and heat treatments (austenite + ferrite area) on their micro structures. In this work, we have taken a number of commercial DP steels, micro structurally characterized and used the conventional tensile testing of these steels for mechanical characterization.

Keywords: characterization, construction in civil engineering, micro structure, tensile DP steel

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Authors: Adnan I. O. Zaid

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As aluminum solidifies in columnar structure with large grain size which reduces its surface quality and mechanical strength; therefore it is normally grain refined either by titanium or titanium + boron (Ti or Ti + B). In this paper, the effect of addition of either Ti or Ti + B to commercially pure aluminum on its grain size, Vickers hardness, mechanical strength and fatigue strength and life is presented and discussed. Similarly, the effect of vanadium addition to Al grain refined by Ti or Ti+ B is presented and discussed. Two binary master alloys Al-Ti and Al-Vi were laboratory prepared from which five different micro-alloys in addition to the commercially pure aluminum namely Al-Ti, Al-Ti-B, Al-V, Al-Ti-V and Al-Ti-B-V were prepared for the investigation. Finally, the effect of their addition on the fatigue cracks initiation and propagation, using scanning electron microscope, SEM, is also presented and discussed. Photomirographs and photoscans are included in the paper.

Keywords: aluminum, fatigue, grain refinement, titanium, titanium+boron, vanadium

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Authors: Kourosh Kosari

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This study is engineering the properties of concrete containing natural nano zeolite as supplementary cementitious material in the blended Portland-cement based binder in amounts of 5,7 and 10% by mass. Crashing of clinoptilolite zeolite is performed by means of planetary ball mill. Two types of concrete along with water to cementitious material ratio (W/(C + P)) in 0.45 and 0.4 at the ages of 7, 28 and 90 days and were compared with each other. The effect of these additives on mechanical properties (compressive and tensile strength) and durability has been investigated by Electrical Resistivity (ER) and Rapid Chloride Penetration Test (RCPT) at the ages 28 and 90 days. Scanning Electron Microscopy (SEM) and X-Ray Diffraction (XRD) revealed that nanoparticles of natural clinoptilolite could improve quality of concrete. As a result of the tests, decrease in penetration of chloride ion and increase electrical resistivity significantly that are appropriate option for controlling of corrosion in reinforced concrete structures but increase of mechanical characteristics is not considerable.

Keywords: ball mill, durability, mechanical properties, nano zeolite

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Authors: Azza A. Al-Ghamdi, Abir S. Abdel-Naby

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Cellulose acetate (CA) is a natural biodegradable polymer. It forms transparent films by the casting technique. CA suffers from high degree of water permeability as well as the low thermal stability at high temperatures. To adjust the CA polymeric films to the manufacture of food packaging, its thermal and mechanical properties should be improved. The modification of CA by grafting it with N-Amino phenyl maleimide (N-APhM) led to the construction of hydrophobic branches throughout the polymeric matrix which reduced its wettability as compared to the parent CA. The branches built onto the polymeric chains had been characterized by UV/Vis, ¹³C-NMR and ESEM. The improvement of the thermal properties was investigated and compared to the parent CA using thermal gravimetric analysis (TGA), differential scanning calorimetry (DSC), differential thermal analysis (DTA), contact angle and mechanical testing measurements. The results revealed that the water-uptake was reduced by increasing the graft percentage. The thermal and mechanical properties were also improved.

Keywords: cellulose acetate, food packaging, graft copolymerization, thermal properties

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Authors: F. A. Hassona, M. M. Abu-Heleika, M. A. Hassan, A. E. Sidhom

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Application of electrical measurements to evaluate engineering properties of soils has gained a wide, promising field of research in recent years. So, understanding of the relation between in-situ electrical resistivity of clay soil, and their mechanical and physical properties consider a promising field of research. This would assist in introducing a new technique for the determination of soil properties based on electrical resistivity. In this work soil physical and mechanical properties of clayey soil have been determined by experimental tests and correlated with the in-situ electrical resistivity. The research program was conducted through measuring fifteen vertical electrical sounding stations along with fifteen selected boreholes. These samples were analyzed and subjected to experimental tests such as physical tests namely bulk density, water content, specific gravity, and grain size distribution, and Attereberg limits tests. Mechanical test was also conducted such as direct shear test. The electrical resistivity data were interpreted and correlated with each one of the measured experimental parameters. Based on this study mathematical relations were extracted and discussed. These results exhibit an excellent match with the results reported in the literature. This study demonstrates the utility of the developed methodology for determining the mechanical properties of soils easily and rapidly depending on their electrical resistivity measurements.

Keywords: electrical resistivity, clayey soil, physical properties, shear properties

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Authors: M. M. Morgham, A. A. Hameda, N. A. Zriba, H. A. Jawan

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This paper aims to study the effect of cold work condition on the microstructure of Cu-1.5wt%Ti, and Cu-3.5wt%Ti and hence mechanical properties. The samples under investigation were machined and solution heat treated. X-ray diffraction technique is used to identify the different phases present after cold deformation by compression and also different heat treatment and also measuring the relative quantities of phases present. Metallographic examination is used to study the microstructure of the samples. The hardness measurements were used to indicate the change in mechanical properties. The results are compared with the mechanical properties obtained by previous workers. Experiments on cold compression followed by aging of Cu-Ti alloys have indicated that the most effective hardening of the material results from continuous precipitation of very fine particles within the matrix. These particles were reported to be β`-type, Cu4Ti phase. The β`-β transformation and particles coarsening within the matrix as well as a long grain boundaries were responsible for the averaging of Cu-1.5wt%Ti and Cu-3.5wt%Ti alloys. It is well know that plate like particles are β – type, Cu3Ti phase. Discontinuous precipitation was found to start at the grain boundaries and expand into grain interior. At the higher aging temperature a classic widmanstätten morphology forms giving rise to a coarse microstructure comprised of α and the equilibrium phase β. Those results were confirmed by X-ray analysis, which found that a few percent of Cu3Ti, β precipitates are formed during aging at high temperature for long time for both Cu- Ti alloys (i.e. Cu-1.5wt%Ti and Cu-3.5wt%Ti).

Keywords: metallographic, hardness, precipitation, aging

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Authors: Abdullah Bajelan, Adel Akbarimajd

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Object manipulation techniques in robotics can be categorized in two major groups including manipulation with grasp and manipulation without grasp. The original aim of this paper is to develop an object manipulation method where in addition to being grasp-less, the manipulation task is done in a passive approach. In this method, linear and angular positions of the object are changed and its manipulation path is controlled. The manipulation path is a helix track with constant radius and incline. The method presented in this paper proposes a system which has not the actuator and the active controller. So this system requires a passive mechanical intelligence to convey the object from the status of the source along the specified path to the goal state. This intelligent is created based on utilizing the geometry of the system components. A general set up for the components of the system is considered to satisfy the required conditions. Then after kinematical analysis, detailed dimensions and geometry of the mechanism is obtained. The kinematical results are verified by simulation in ADAMS.

Keywords: mechanical intelligence, object manipulation, passive mechanism, passive non-prehensile manipulation

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Authors: Ahmad Abdul-Razzak Aboudi Al-Issa

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Thermal is the main important aspect in any hydraulic system since it is affected on the hydraulic system performance. Therefore must be simulated the hydraulic system -that was designed- in this aspect before constructing it. In this study, an existed expert system was using to simulate the thermal aspect of a designed hydraulic system that will be used in an industrial field. The expert system which is used in this study is (Hydraulic System Calculations), and its symbol (HSC). HSC had been designed and coded in an interactive program userfriendly named (Microsoft Visual Basic 2010).

Keywords: fluid power, hydraulic system, thermal and hydrodynamic, expert system

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Authors: Lijuan Li

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Nitric oxide (NO) has become a fascinating entity in biological chemistry over the past few years. It is a gaseous lipophilic radical molecule that plays important roles in several physiological and pathophysiological processes in mammals, including activating the immune response, serving as a neurotransmitter, regulating the cardiovascular system, and acting as an endothelium-derived relaxing factor. NO functions in eukaryotes both as a signal molecule at nanomolar concentrations and as a cytotoxic agent at micromolar concentrations. The latter arises from the ability of NO to react readily with a variety of cellular targets leading to thiol S-nitrosation, amino acid N-nitrosation, and nitrosative DNA damage. Nitric oxide can readily bind to metals to give metal-nitrosyl (M-NO) complexes. Some of these species are known to play roles in biological NO storage and transport. These complexes have different biological, photochemical, or spectroscopic properties due to distinctive structural features. These recent discoveries have spawned a great interest in the development of transition metal complexes containing NO, particularly its iron complexes that are central to the role of nitric oxide in the body. Spectroscopic evidence would appear to implicate species of “Fe(NO)2+” type in a variety of processes ranging from polymerization, carcinogenesis, to nitric oxide stores. Our research focuses on isolation and structural studies of non-heme iron nitrosyls that mimic biologically active compounds and can potentially be used for anticancer drug therapy. We have shown that reactions between Fe(NO)2(CO)2 and a series of imidazoles generated new non-heme iron nitrosyls of the form Fe(NO)2(L)2 [L = imidazole, 1-methylimidazole, 4-methylimidazole, benzimidazole, 5,6-dimethylbenzimidazole, and L-histidine] and a tetrameric cluster of [Fe(NO)2(L)]4 (L=Im, 4-MeIm, BzIm, and Me2BzIm), resulted from the interactions of Fe(NO)2 with a series of substituted imidazoles was prepared. Recently, a series of sulfur bridged iron di nitrosyl complexes with the general formula of [Fe(µ-RS)(NO)2]2 (R = n-Pr, t-Bu, 6-methyl-2-pyridyl, and 4,6-dimethyl-2-pyrimidyl), were synthesized by the reaction of Fe(NO)2(CO)2 with thiols or thiolates. Their structures and properties were studied by IR, UV-vis, 1H-NMR, EPR, electrochemistry, X-ray diffraction analysis and DFT calculations. IR spectra of these complexes display one weak and two strong NO stretching frequencies (νNO) in solution, but only two strong νNO in solid. DFT calculations suggest that two spatial isomers of these complexes bear 3 Kcal energy difference in solution. The paramagnetic complexes [Fe2(µ-RS)2(NO)4]-, have also been investigated by EPR spectroscopy. Interestingly, the EPR spectra of complexes exhibit an isotropic signal of g = 1.998 - 2.004 without hyperfine splitting. The observations are consistent with the results of calculations, which reveal that the unpaired electron dominantly delocalize over the two sulfur and two iron atoms. The difference of the g values between the reduced form of iron-sulfur clusters and the typical monomeric di nitrosyl iron complexes is explained, for the first time, by of the difference in unpaired electron distributions between the two types of complexes, which provides the theoretical basis for the use of g value as a spectroscopic tool to differentiate these biologically active complexes.

Keywords: di nitrosyl iron complex, metal nitrosyl, non-heme iron, nitric oxide

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Authors: Kunjie Fan

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Fly ash has been widely used as supplemental cementitious material in concrete for decades, especially in the ready-mixed concrete industry. Addition of fly ash not only brings economic and environmental benefits but also improves the engineering properties of concrete. It is well known that the pre-fire load has significant impacts on mechanical properties of concrete at high temperatures, however, the fire performance of stressed fly ash concrete is still not clear. Therefore, an apparatus was specially designed for testing “hot” mechanical properties of fly ash concrete with different heating-loading regimes. Through the experimental research, the mechanical properties, including compressive strength, peak strain, elastic modulus, complete stress-strain relationship, and transient thermal creep of fly ash concrete under uniaxial compression at elevated temperatures, have been investigated. It was found that the compressive strength and the elastic modulus increase with the load level, while the peak strain decreases with the applied stress level. In addition, 25% replacement of OPC with FA in the concrete mitigated the deterioration of the compressive strength, the development of transient thermal creep, and the nonlinearity of stress-strain response at elevated temperatures but hardly influenced the value of the elastic modulus and the peak strain. The applicability of Eurocode EN1992-1-2 to normal strength concrete with 25% replacement of fly ash has been verified to be safe. Based on the experimental analysis, an advanced constitutive model for stressed fly ash concrete at high temperatures was proposed.

Keywords: fire performance, fly ash concrete, pre-fire load, mechanical properties, transient thermal creep

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Authors: Sofia Lazareva, Artem Smolentsev

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Fluorescent photochromic materials collect strong interest due to their possible application in organic photonics such as optical logic systems, optical memory, visualizing sensors, as well as characterization of polymers and biological systems. In photochromic fluorescence switching systems the emission of fluorophore is modulated between ‘on’ and ‘off’ via the photoisomerization of photochromic moieties resulting in effective resonance energy transfer (FRET). In current work, we have studied both photochromic and fluorescent properties of several diarylethenes. It was found that coloured forms of these compounds are not fluorescent because of the efficient intramolecular energy transfer. Spectral and photochromic parameters of investigated substances have been measured in five solvents having different polarity. Quantum yields of photochromic transformation A↔B ΦA→B and ΦB→A as well as B isomer extinction coefficients were determined by kinetic method. It was found that the photocyclization reaction quantum yield of all compounds decreases with the increase of solvent polarity. In addition, the solvent polarity is revealed to affect fluorescence significantly. Increasing of the solvent dielectric constant was found to result in a strong shift of emission band position from 450 nm (nhexane) to 550 nm (DMSO and ethanol) for all three compounds. Moreover, the emission intensive in polar solvents becomes weak and hardly detectable in n-hexane. The only one exception in the described dependence is abnormally low fluorescence quantum yield in ethanol presumably caused by the loss of electron-donating properties of nitrogen atom due to the protonation. An effect of the protonation was also confirmed by the addition of concentrated HCl in solution resulting in a complete disappearance of the fluorescent band. Excited state dynamics were investigated by ultrafast optical spectroscopy methods. Kinetic curves of excited states absorption and fluorescence decays were measured. Lifetimes of transient states were calculated from the data measured. The mechanism of ring opening reaction was found to be polarity dependent. Comparative analysis of kinetics measured in acetonitrile and hexane reveals differences in relaxation dynamics after the laser pulse. The most important fact is the presence of two decay processes in acetonitrile, whereas only one is present in hexane. This fact supports an assumption made on the basis of steady-state preliminary experiments that in polar solvents occur stabilization of TICT state. Thus, results achieved prove the hypothesis of two channel mechanism of energy relaxation of compounds studied.

Keywords: diarylethenes, fluorescence switching, FRET, photochromism, TICT state

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Authors: Nguyen-Tri Phuong, Triki Ennouri, Gauvin Chantal, Tuduri Ludovic, Vu-Khanh Toan

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Hand injuries due to mechanical hazards such as cuts and punctures are major risks and concerns for several occupational groups, particularly for workers in the metal manufacturing sector and mechanical automotive services. Personal protective equipment such as gloves or clothing is necessary for many professionals to protect against a variety of occupational hazards, which arise daily in their work environments. In many working places such as metal manufacturing or automotive services, mechanical hazards often occur together with industrial contaminants, particularly metalworking fluids (MWFs). The presence of these contaminants could modify the properties of gloves made from polymeric materials and thus increase the risk of hand injuries for workers. The focus of this study is to determine the swelling characteristics and the resistance of six polymer membranes when they are contaminated with several industrial metalworking fluids. These polymer membranes, commonly used in protective gloves, are nitrile, neoprene, vinyl, butyl, polyurethane and latex rubbers. Changes swelling index were continuously followed during the contamination procedure to compare the performance of each polymer under different conditions. The modification of the samples surface, tensile properties during the contamination process was also investigated. The effect of temperature on mechanical properties and morphology of material was also examined.

Keywords: metalworking fluid, swelling behavior, protective glove materials, elastomers

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Authors: Luo Guidong, Song Hang, Jim Song, Virginia Martin Torrejon

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Due to their excellent properties, polymer packaging foams have become increasingly essential in our current lifestyles. They are cost-effective and lightweight, with excellent mechanical and thermal insulation properties. However, they constitute a major environmental and health concern due to litter generation, ocean pollution, and microplastic contamination of the food chain. In recent years, considerable efforts have been made to develop more sustainable alternatives to conventional polymer packaging foams. As a result, biobased and compostable foams are increasingly becoming commercially available, such as starch-based loose-fill or PLA trays. However, there is still a need for bulk manufacturing of bio-foams planks for packaging applications as a viable alternative to their fossil fuel counterparts (i.e., polystyrene, polyethylene, and polyurethane). Gelatin is a promising biopolymer for packaging applications due to its biodegradability, availability, and biocompatibility, but its mechanical properties are poor compared to conventional plastics. However, as widely reported for other biopolymers, such as starch, the mechanical properties of gelatin-based bioplastics can be enhanced by formulation optimization, such as the incorporation of fibres from different crops, such as bamboo. This research aimed to produce gelatin-bamboo fibre foams by mechanical foaming and to study the effect of fibre content on the foams' properties and structure. As a result, foams with virtually no shrinkage, low density (<40 kg/m³), low thermal conductivity (<0.044 W/m•K), and mechanical properties comparable to conventional plastics were produced. Further work should focus on developing formulations suitable for the packaging of water-sensitive products and processing optimization, especially the reduction of the drying time.

Keywords: biobased and compostable foam, sustainable packaging, natural polymer hydrogel, cold chain packaging

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Authors: Solmaz Eskandarion, Haniyeh Eftekhar, Amin Fallahi

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Introduction: Nowadays cosmetic dentistry has gained greater attention because of the changing demands of dentistry patients. Composite resin restorations play an important role in the field of esthetic restorations. Due to the variation between the resin composites, it is important to be aware of their mechanical properties and surface roughness. So, the aim of this study was to compare the mechanical properties (surface hardness, compressive strength, diametral tensile strength) and surface roughness of four kinds of resin composites after thermal aging process. Materials and Method: 10 samples of each composite resins (Gradia-direct (GC), Filtek Z250 (3M), G-ænial (GC), Filtek Z350 (3M- filtek supreme) prepared for evaluation of each properties (totally 120 samples). Thermocycling (with temperature 5 and 55 degree of centigrade and 10000 cycles) were applied. Then, the samples were tested about their compressive strength and diametral tensile strength using UTM. And surface hardness was evaluated with Microhardness testing machine. Either surface roughness was evaluated with Scanning electron microscope after surface polishing. Result: About compressive strength (CS), Filtek Z250 showed the highest value. But there were not any significant differences between 4 groups about CS. Either Filtek Z250 detected as a composite with highest value of diametral tensile strength (DTS) and after that highest to lowest DTS was related to: Filtek Z350, G-ænial and Gradia-direct. And about DTS all of the groups showed significant differences (P<0.05). Vickers Hardness Number (VHN) of Filtek Z250 was the greatest. After that Filtek Z350, G-ænial and Gradia-direct followed it. The surface roughness of nano-filled composites was less than Microhybrid composites. Either the surface roughness of GC Ganial was a little greater than Filtek Z250. Conclusion: This study indicates that there is not any evident significant difference between the groups amoung their mechanical properties. But it seems that Filtek Z250 showed slightly better mechanical properties. About surface roughness, nanofilled composites were better that Microhybrid.

Keywords: mechanical properties, surface roughness, resin composite, compressive strength, thermal aging

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Authors: Beatriz Muñiz Cano, J. Ripoll Sau, D. Pacile, P. M. Sheverdyaeva, P. Moras, J. Camarero, R. Miranda, M. Garnica, M. A. Valbuena

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Graphene, in its pristine state, is a semiconductor with a zero band gap and massless Dirac fermions carriers, which conducts electrons like a metal. Nevertheless, the absence of a bandgap makes it impossible to control the material’s electrons, something that is essential to perform on-off switching operations in transistors. Therefore, it is necessary to generate a finite gap in the energy dispersion at the Dirac point. Intense research has been developed to engineer band gaps while preserving the exceptional properties of graphene, and different strategies have been proposed, among them, quantum confinement of 1D nanoribbons or the introduction of super periodic potential in graphene. Besides, in the context of developing new 2D materials and Van der Waals heterostructures, with new exciting emerging properties, as 2D transition metal chalcogenides monolayers, it is fundamental to know any possible interaction between chalcogenide atoms and graphene-supporting substrates. In this work, we report on a combined Scanning Tunneling Microscopy (STM), Low Energy Electron Diffraction (LEED), and Angle-Resolved Photoemission Spectroscopy (ARPES) study on a new superstructure when Te is evaporated (and intercalated) onto graphene over Ir(111). This new superstructure leads to the electronic doping of the Dirac cone while the linear dispersion of massless Dirac fermions is preserved. Very interestingly, our ARPES measurements evidence a large band gap (~400 meV) at the Dirac point of graphene Dirac cones below but close to the Fermi level. We have also observed signatures of the Dirac point binding energy being tuned (upwards or downwards) as a function of Te coverage.

Keywords: angle resolved photoemission spectroscopy, ARPES, graphene, spintronics, spin-orbitronics, 2D materials, transition metal dichalcogenides, TMDCs, TMDs, LEED, STM, quantum materials

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Authors: Jiwuer Jilili, Fabrizio Cossu, Udo Schwingenschlogl

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By first-principles calculations we investigate the structural, electronic, and magnetic properties of the (LaMnO3)2/(SrTiO3)2 superlattice. We find that a monoclinic C2h symmetry is energetically favorable and that the spins order ferromagnetically. Under both compressive and tensile uniaxial strain the electronic structure of the superlattice shows a half-metallic character. In particular, a fully spin-polarized two-dimensional electron gas, which traces back to the Ti 3dxy orbitals, is achieved under compressive uniaxial strain.

Keywords: manganite, strain, 2DEG, superlattice

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Authors: Ahmed Al-Mansour, Qiang Zeng

Abstract:

Recycling waste plastics in the form of concrete components, i.e. fine aggregates, has been an attractive topic among the society of civil engineers. Not only does the recycling of plastics reduce the overall cost of concrete production, but it also takes part in solving environmental issues. Nevertheless, the incorporation of recycled plastics into concrete results in an increasing reduction in the mechanical properties of concrete as the percentage of replacement of natural aggregates increases. In order to overcome this reduction, Ethylene-vinyl acetate (EVA) was used as an additive in concrete with recycled plastic aggregates. The aim of this additive is to: 1) increase the interfacial interaction at the interfacial transition zone (ITZ) between plastic pellets and cement matrix, and 2) mitigate the loss in mechanical properties. Three different groups of samples (i.e. cubes and prisms) were tested according to the plastics substituting fine aggregates. 5, 10, and 15% of fine aggregates were substituted for recycled plastic pellets, and 2 – 4% of the cement was substituted for EVA that produces a flexible agent when mixed properly with water. Compressive and tensile strength tests were conducted for the mechanical properties, while SEM and X-CT scan were implemented for further investigation of calcium-silicate-hydrate (C–S–H) formation and ITZ analysis. The optimal amount of plastic particles with EVA is suggested to get the most compact and dense matrix structure according to the results of this study.

Keywords: the durability of concrete, ethylene-vinyl acetate (EVA), interfacial transition zone (ITZ), recycled plastics

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Authors: J. Ranjbarn, A. Alibeigloo

Abstract:

In this paper, we present an analytical method for analysis of nano-scale spherical shell subjected to thermo-mechanical shocks based on nonlocal elasticity theory. Thermo-mechanical properties of nano shpere is assumed to be temperature dependent. Governing partial differential equation of motion is solved analytically by using Laplace transform for time domain and power series for spacial domain. The results in Laplace domain is transferred to time domain by employing the fast inverse Laplace transform (FLIT) method. Accuracy of present approach is assessed by comparing the the numerical results with the results of published work in literature. Furtheremore, the effects of non-local parameter and wall thickness on the dynamic characteristics of the nano-sphere are studied.

Keywords: nano-scale spherical shell, nonlocal elasticity theory, thermomechanical shock, dynamic response

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Authors: Barbora Herdová, Rastislav Lagaňa

Abstract:

The paper investigates the mechanical properties of European aspen (Populus tremula L.) as a potential replacement for load-bearing elements in historical structures. One of the main aims of the research has been the quantification of mechanical properties via destructive testing and the subsequent calculation of characteristic values of these properties. The research encompasses experimental testing of wood specimens for the determination of dynamic modulus of elasticity (MOEdyn), modulus of elasticity (MOE), modulus of rupture (MOR), and density. The results were analyzed and compared to established standards for structural timber. The results confirmed statistically significant dependence between MOR and MOEdyn. The correlation between the MOR and the dynamic MOEdyn enabled non-destructive strength grading using the Sylvatest Duo® system. The findings of this research contribute to the potential use of European aspen as a structural timber, which could have implications for the sustainable use of this abundant and renewable resource in the construction industry. They also show the usability of European aspen in the reconstruction of historical buildings.

Keywords: populus tremula, MOE, MOR, sylvatest Duo®.

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Authors: Daniel Martin Fellows, Sean P. Walton, Jennifer Thompson, Oubay Hassan, Ella Quigley, Kevin Tinkham

Abstract:

Fire performance is a crucial aspect to consider when designing cladding products, and testing this performance is extremely expensive. Appropriate use of numerical simulation of fire performance has the potential to reduce the total number of fire tests required when designing a product by eliminating poor-performing design ideas early in the design phase. Due to the complexity of fire and the large spectrum of failures it can cause, multi-disciplinary models are needed to capture the complex fire behavior and its structural effects on its surroundings. Working alongside Tata Steel U.K., the authors have focused on completing a coupled CFD-FEA simulation model suited to test Polyisocyanurate (PIR) based sandwich panel products to gain confidence before costly experimental standards testing. The sandwich panels are part of a thermally insulating façade system primarily for large non-domestic buildings. The work presented in this paper compares two coupling methodologies of a replicated physical experimental standards test LPS 1181-1, carried out by Tata Steel U.K. The two coupling methodologies that are considered within this research are; one-way and two-way. A one-way coupled analysis consists of importing thermal data from the CFD solver into the FEA solver. A two-way coupling analysis consists of continuously importing the updated changes in thermal data, due to the fire's behavior, to the FEA solver throughout the simulation. Likewise, the mechanical changes will also be updated back to the CFD solver to include geometric changes within the solution. For CFD calculations, a solver called Fire Dynamic Simulator (FDS) has been chosen due to its adapted numerical scheme to focus solely on fire problems. Validation of FDS applicability has been achieved in past benchmark cases. In addition, an FEA solver called ABAQUS has been chosen to model the structural response to the fire due to its crushable foam plasticity model, which can accurately model the compressibility of PIR foam. An open-source code called FDS-2-ABAQUS is used to couple the two solvers together, using several python modules to complete the process, including failure checks. The coupling methodologies and experimental data acquired from Tata Steel U.K are compared using several variables. The comparison data includes; gas temperatures, surface temperatures, and mechanical deformation of the panels. Conclusions are drawn, noting improvements to be made on the current coupling open-source code FDS-2-ABAQUS to make it more applicable to Tata Steel U.K sandwich panel products. Future directions for reducing the computational cost of the simulation are also considered.

Keywords: fire engineering, numerical coupling, sandwich panels, thermo fluids

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Authors: S. Louhibi-Fasla, H. Rekab Djabri, H. Achour

Abstract:

The aim of this work is to investigate the structural phase-transitions and electronic properties of copper halides. Our calculations were performed within the PLW extension to the first principle FPLMTO method, which enables an accurate treatment of all kinds of structures including the open ones. Results are given for lattice parameters, bulk modulus and its first derivatives in five different surface phases, and are compared with the available theoretical and experimental data. In the zinc-blende (B3) and PbO (B10) phases, the fundamental gap remains direct with both the top of VB and the bottom of CB located at Γ.

Keywords: FPLMTO, structural properties, Copper halides, phase transitions, ground state phase

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Authors: Nadine Ali Hassan, Ngoc Son Nguyen, Didier Marot, Fateh Bendahmane

Abstract:

This paper aims at presenting a study of the effect of scalping methods on the mechanical properties of coarse soils by resorting to numerical simulations based on the discrete element method (DEM) and experimental triaxial tests. Two reconstitution methods are used, designated as scalping method and substitution method. Triaxial compression tests are first simulated on a granular materials with a grap graded particle size distribution by using the DEM. We study the effect of these reconstitution methods on the stress-strain behavior of coarse soils with different fine contents and with different ways to control the densities of the scalped and substituted materials. Experimental triaxial tests are performed on original mixtures of sands and gravels with different fine contents and on their corresponding scalped and substituted samples. Numerical results are qualitatively compared to experimental ones. Agreements and discrepancies between these results are also discussed.

Keywords: coarse soils, mechanical behavior, scalping, replacement, triaxial devices

Procedia PDF Downloads 199