Search results for: high entropy alloy
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 20163

Search results for: high entropy alloy

19593 Mechanical Behavior of Sandwiches with Various Glass Fiber/Epoxy Skins under Bending Load

Authors: Emre Kara, Metehan Demir, Şura Karakuzu, Kadir Koç, Ahmet F. Geylan, Halil Aykul

Abstract:

While the polymeric foam cored sandwiches have been realized for many years, recently there is a growing and outstanding interest on the use of sandwiches consisting of aluminum foam core because of their some of the distinct mechanical properties such as high bending stiffness, high load carrying and energy absorption capacities. These properties make them very useful in the transportation industry (automotive, aerospace, shipbuilding industry), where the "lightweight design" philosophy and the safety of vehicles are very important aspects. Therefore, in this study, the sandwich panels with aluminum alloy foam core and various types and thicknesses of glass fiber reinforced polymer (GFRP) skins produced via Vacuum Assisted Resin Transfer Molding (VARTM) technique were obtained by using a commercial toughened epoxy based adhesive with two components. The aim of this contribution was the analysis of the bending response of sandwiches with various glass fiber reinforced polymer skins. The three point bending tests were performed on sandwich panels at different values of support span distance using a universal static testing machine in order to clarify the effects of the type and thickness of the GFRP skins in terms of peak load, energy efficiency and absorbed energy values. The GFRP skins were easily bonded to the aluminum alloy foam core under press machine with a very low pressure. The main results of the bending tests are: force-displacement curves, peak force values, absorbed energy, collapse mechanisms and the influence of the support span length and GFRP skins. The obtained results of the experimental investigation presented that the sandwich with the skin made of thicker S-Glass fabric failed at the highest load and absorbed the highest amount of energy compared to the other sandwich specimens. The increment of the support span distance made the decrease of the peak force and absorbed energy values for each type of panels. The common collapse mechanism of the panels was obtained as core shear failure which was not affected by the skin materials and the support span distance.

Keywords: aluminum foam, collapse mechanisms, light-weight structures, transport application

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19592 Modeling of Anode Catalyst against CO in Fuel Cell Using Material Informatics

Authors: M. Khorshed Alam, H. Takaba

Abstract:

The catalytic properties of metal usually change by intermixturing with another metal in polymer electrolyte fuel cells. Pt-Ru alloy is one of the much-talked used alloy to enhance the CO oxidation. In this work, we have investigated the CO coverage on the Pt2Ru3 nanoparticle with different atomic conformation of Pt and Ru using a combination of material informatics with computational chemistry. Density functional theory (DFT) calculations used to describe the adsorption strength of CO and H with different conformation of Pt Ru ratio in the Pt2Ru3 slab surface. Then through the Monte Carlo (MC) simulations we examined the segregation behaviour of Pt as a function of surface atom ratio, subsurface atom ratio, particle size of the Pt2Ru3 nanoparticle. We have constructed a regression equation so as to reproduce the results of DFT only from the structural descriptors. Descriptors were selected for the regression equation; xa-b indicates the number of bonds between targeted atom a and neighboring atom b in the same layer (a,b = Pt or Ru). Terms of xa-H2 and xa-CO represent the number of atoms a binding H2 and CO molecules, respectively. xa-S is the number of atom a on the surface. xa-b- is the number of bonds between atom a and neighboring atom b located outside the layer. The surface segregation in the alloying nanoparticles is influenced by their component elements, composition, crystal lattice, shape, size, nature of the adsorbents and its pressure, temperature etc. Simulations were performed on different size (2.0 nm, 3.0 nm) of nanoparticle that were mixing of Pt and Ru atoms in different conformation considering of temperature range 333K. In addition to the Pt2Ru3 alloy we also considered pure Pt and Ru nanoparticle to make comparison of surface coverage by adsorbates (H2, CO). Hence, we assumed the pure and Pt-Ru alloy nanoparticles have an fcc crystal structures as well as a cubo-octahedron shape, which is bounded by (111) and (100) facets. Simulations were performed up to 50 million MC steps. From the results of MC, in the presence of gases (H2, CO), the surfaces are occupied by the gas molecules. In the equilibrium structure the coverage of H and CO as a function of the nature of surface atoms. In the initial structure, the Pt/Ru ratios on the surfaces for different cluster sizes were in range of 0.50 - 0.95. MC simulation was employed when the partial pressure of H2 (PH2) and CO (PCO) were 70 kPa and 100-500 ppm, respectively. The Pt/Ru ratios decrease as the increase in the CO concentration, without little exception only for small nanoparticle. The adsorption strength of CO on the Ru site is higher than the Pt site that would be one of the reason for decreasing the Pt/Ru ratio on the surface. Therefore, our study identifies that controlling the nanoparticle size, composition, conformation of alloying atoms, concentration and chemical potential of adsorbates have impact on the steadiness of nanoparticle alloys which ultimately and also overall catalytic performance during the operations.

Keywords: anode catalysts, fuel cells, material informatics, Monte Carlo

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19591 Effect of Temperature and Deformation Mode on Texture Evolution of AA6061

Authors: M. Ghosh, A. Miroux, L. A. I. Kestens

Abstract:

At molecular or micrometre scale, practically all materials are neither homogeneous nor isotropic. The concept of texture is used to identify the structural features that cause the properties of a material to be anisotropic. For metallic materials, the anisotropy of the mechanical behaviour originates from the crystallographic nature of plastic deformation, and is therefore controlled by the crystallographic texture. Anisotropy in mechanical properties often constitutes a disadvantage in the application of materials, as it is often illustrated by the earing phenomena during drawing. However, advantages may also be attained when considering other properties (e.g. optimization of magnetic behaviour to a specific direction) by controlling texture through thermo-mechanical processing). Nevertheless, in order to have better control over the final properties it is essential to relate texture with materials processing route and subsequently optimise their performance. However, up to date, few studies have been reported about the evolution of texture in 6061 aluminium alloy during warm processing (from room temperature to 250ºC). In present investigation, recrystallized 6061 aluminium alloy samples were subjected to tensile and plane strain compression (PSC) at room and warm temperatures. The gradual change of texture following both deformation modes were measured and discussed. Tensile tests demonstrate the mechanism at low strain while PSC does the same at high strain and eventually simulate the condition of rolling. Cube dominated texture of the initial rolled and recrystallized AA6061 sheets were replaced by domination of S and R components after PSC at room temperature, warm temperature (250ºC) though did not reflect any noticeable deviation from room temperature observation. It was also noticed that temperature has no significant effect on the evolution of grain morphology during PSC. The band contrast map revealed that after 30% deformation the substructure inside the grain is mainly made of series of parallel bands. A tendency for decrease of Cube and increase of Goss was noticed after tensile deformation compared to as-received material. Like PSC, texture does not change after deformation at warm temperature though. n-fibre was noticed for all the three textures from Goss to Cube.

Keywords: AA 6061, deformation, temperature, tensile, PSC, texture

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19590 Extended Intuitionistic Fuzzy VIKOR Method in Group Decision Making: The Case of Vendor Selection Decision

Authors: Nastaran Hajiheydari, Mohammad Soltani Delgosha

Abstract:

Vendor (supplier) selection is a group decision-making (GDM) process, in which, based on some predetermined criteria, the experts’ preferences are provided in order to rank and choose the most desirable suppliers. In the real business environment, our attitudes or our choices would be made in an uncertain and indecisive situation could not be expressed in a crisp framework. Intuitionistic fuzzy sets (IFSs) could handle such situations in the best way. VIKOR method was developed to solve multi-criteria decision-making (MCDM) problems. This method, which is used to determine the compromised feasible solution with respect to the conflicting criteria, introduces a multi-criteria ranking index based on the particular measure of 'closeness' to the 'ideal solution'. Until now, there has been a little investigation of VIKOR with IFS, therefore we extended the intuitionistic fuzzy (IF) VIKOR to solve vendor selection problem under IF GDM environment. The present study intends to develop an IF VIKOR method in a GDM situation. Therefore, a model is presented to calculate the criterion weights based on entropy measure. Then, the interval-valued intuitionistic fuzzy weighted geometric (IFWG) operator utilized to obtain the total decision matrix. In the next stage, an approach based on the positive idle intuitionistic fuzzy number (PIIFN) and negative idle intuitionistic fuzzy number (NIIFN) was developed. Finally, the application of the proposed method to solve a vendor selection problem illustrated.

Keywords: group decision making, intuitionistic fuzzy set, intuitionistic fuzzy entropy measure, vendor selection, VIKOR

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19589 TiO2 Formation after Nanotubes Growth on Ti-15Mo Alloy Surface for Different Annealing Temperatures

Authors: A. L. R. Rangel, J. A. M. Chaves, A. P. R. Alves Claro

Abstract:

Surface modification of titanium and its alloys using TiO2 nanotube growth has been widely studied for biomedical field due to excellent interaction between implant and biological environment. The success of this treatment is directly related to anatase phase formation (TiO2 phase) which affects the cells growth. The aim of this study was to evaluate the phases formed in the nanotubes growth on the Ti-15Mo surface. Nanotubes were grown by electrochemical anodization of the alloy in ammonium fluoride based glycerol electrolyte for 24 hours at 20V. Then, the samples were annealed at 200°,400°, 450°, 500°, 600°, and 800° C for 1 hour. Contact angles measurements, scanning electron microscopy images and X rays diffraction analysis (XRD) were carried out for all samples. Raman Spectroscopy was used to evaluate TiO2 phases transformation in nanotubes samples as well. The results of XRD showed anatase formation for lower temperatures, while at 800 ° C the rutile phase was observed all over the surface. Raman spectra indicate that this phase transition occurs between 500 and 600 °C. The different phases formed have influenced the nanotubes morphologies, since higher annealing temperatures induced agglutination of the TiO2 layer, disrupting the tubular structure. On the other hand, the nanotubes drastically reduced the contact angle, regardless the annealing temperature.

Keywords: nanotubes, TiO2, titanium alloys, Ti-15Mo

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19588 Investigation of Dry Ice Mixed Novel Hybrid Lubri-Coolant in Sustainable Machining of Ti-6AL-4V Alloy: A Comparison of Experimental and Modelling

Authors: Muhammad Jamil, Ning He, Aqib Mashood Khan, Munish Kumar Gupta

Abstract:

Ti-6Al-4V has numerous applications in the medical, automobile, and aerospace industries due to corrosion resistivity, structural stability, and chemical inertness to most fluids at room temperature. These peculiar characteristics are beneficial for their application and present formidable challenges during machining. Machining of Ti-6Al-4V produces an elevated cutting temperature above 1000oC at dry conditions. This accelerates tool wear and reduces product quality. Therefore, there is always a need to employ sustainable/effective coolant/lubricant when machining such alloy. In this study, Finite Element Modeling (FEM) and experimental analysis when cutting Ti-6Al-4V under a distinctly developed dry ice mixed hybrid lubri-coolant are presented. This study aims to model the milling process of Ti-6Al-4V under a proposed novel hybrid lubri-coolant using different cutting speeds and feed per tooth DEFORM® software package was used to conduct the FEM and the numerical model was experimentally validated. A comparison of experimental and simulation results showed a maximum error of no more than 6% for all experimental conditions. In a nutshell, it can be said that the proposed model is effective in predicting the machining temperature precisely.

Keywords: friction coefficient, heat transfer, finite element modeling (FEM), milling Ti-6Al-4V

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19587 Recrystallization Behavior and Microstructural Evolution of Nickel Base Superalloy AD730 Billet during Hot Forging at Subsolvus Temperatures

Authors: Marcos Perez, Christian Dumont, Olivier Nodin, Sebastien Nouveau

Abstract:

Nickel superalloys are used to manufacture high-temperature rotary engine parts such as high-pressure disks in gas turbine engines. High strength at high operating temperatures is required due to the levels of stress and heat the disk must withstand. Therefore it is necessary parts made from materials that can maintain mechanical strength at high temperatures whilst remain comparatively low in cost. A manufacturing process referred to as the triple melt process has made the production of cast and wrought (C&W) nickel superalloys possible. This means that the balance of cost and performance at high temperature may be optimized. AD730TM is a newly developed Ni-based superalloy for turbine disk applications, with reported superior service properties around 700°C when compared to Inconel 718 and several other alloys. The cast ingot is converted into billet during either cogging process or open die forging. The semi-finished billet is then further processed into its final geometry by forging, heat treating, and machining. Conventional ingot-to-billet conversion is an expensive and complex operation, requiring a significant amount of steps to break up the coarse as-cast structure and interdendritic regions. Due to the size of conventional ingots, it is difficult to achieve a uniformly high level of strain for recrystallization, resulting in non-recrystallized regions that retain large unrecrystallized grains. Non-uniform grain distributions will also affect the ultrasonic inspectability response, which is used to find defects in the final component. The main aim is to analyze the recrystallization behavior and microstructural evolution of AD730 at subsolvus temperatures from a semi-finished product (billet) under conditions representative of both cogging and hot forging operations. Special attention to the presence of large unrecrystallized grains was paid. Double truncated cones (DTCs) were hot forged at subsolvus temperatures in hydraulic press, followed by air cooling. SEM and EBSD analysis were conducted in the as-received (billet) and the as-forged conditions. AD730 from billet alloy presents a complex microstructure characterized by a mixture of several constituents. Large unrecrystallized grains present a substructure characterized by large misorientation gradients with the formation of medium to high angle boundaries in their interior, especially close to the grain boundaries, denoting inhomogeneous strain distribution. A fine distribution of intragranular precipitates was found in their interior, playing a key role on strain distribution and subsequent recrystallization behaviour during hot forging. Continuous dynamic recrystallization (CDRX) mechanism was found to be operating in the large unrecrystallized grains, promoting the formation intragranular DRX grains and the gradual recrystallization of these grains. Evidences that hetero-epitaxial recrystallization mechanism is operating in AD730 billet material were found. Coherent γ-shells around primary γ’ precipitates were found. However, no significant contribution to the overall recrystallization during hot forging was found. By contrast, strain presents the strongest effect on the microstructural evolution of AD730, increasing the recrystallization fraction and refining the structure. Regions with low level of deformation (ε ≤ 0.6) were translated into large fractions of unrecrystallized structures (strain accumulation). The presence of undissolved secondary γ’ precipitates (pinning effect), prior to hot forging operations, could explain these results.

Keywords: AD730 alloy, continuous dynamic recrystallization, hot forging, γ’ precipitates

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19586 Surface Roughness Formed during Hybrid Turning of Inconel Alloy

Authors: Pawel Twardowski, Tadeusz Chwalczuk, Szymon Wojciechowski

Abstract:

Inconel 718 is a material characterized by the unique mechanical properties, high temperature strength, high thermal conductivity and the corrosion resistance. However, these features affect the low machinability of this material, which is usually manifested by the intense tool wear and low surface finish. Therefore, this paper is focused on the evaluation of surface roughness during hybrid machining of Inconel 718. The primary aim of the study was to determine the relations between the vibrations generated during hybrid turning and the formed surface roughness. Moreover, the comparison of tested machining techniques in terms of vibrations, tool wear and surface roughness has been made. The conducted tests included the face turning of Inconel 718 with laser assistance in the range of variable cutting speeds. The surface roughness was inspected with the application of stylus profile meter and accelerations of vibrations were measured with the use of three-component piezoelectric accelerometer. The carried out research shows that application of laser assisted machining can contribute to the reduction of surface roughness and cutting vibrations, in comparison to conventional turning. Moreover, the obtained results enable the selection of effective cutting speed allowing the improvement of surface finish and cutting dynamics.

Keywords: hybrid machining, nickel alloys, surface roughness, turning, vibrations

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19585 Modeling Driving Distraction Considering Psychological-Physical Constraints

Authors: Yixin Zhu, Lishengsa Yue, Jian Sun, Lanyue Tang

Abstract:

Modeling driving distraction in microscopic traffic simulation is crucial for enhancing simulation accuracy. Current driving distraction models are mainly derived from physical motion constraints under distracted states, in which distraction-related error terms are added to existing microscopic driver models. However, the model accuracy is not very satisfying, due to a lack of modeling the cognitive mechanism underlying the distraction. This study models driving distraction based on the Queueing Network Human Processor model (QN-MHP). This study utilizes the queuing structure of the model to perform task invocation and switching for distracted operation and control of the vehicle under driver distraction. Based on the assumption of the QN-MHP model about the cognitive sub-network, server F is a structural bottleneck. The latter information must wait for the previous information to leave server F before it can be processed in server F. Therefore, the waiting time for task switching needs to be calculated. Since the QN-MHP model has different information processing paths for auditory information and visual information, this study divides driving distraction into two types: auditory distraction and visual distraction. For visual distraction, both the visual distraction task and the driving task need to go through the visual perception sub-network, and the stimuli of the two are asynchronous, which is called stimulus on asynchrony (SOA), so when calculating the waiting time for switching tasks, it is necessary to consider it. In the case of auditory distraction, the auditory distraction task and the driving task do not need to compete for the server resources of the perceptual sub-network, and their stimuli can be synchronized without considering the time difference in receiving the stimuli. According to the Theory of Planned Behavior for drivers (TPB), this study uses risk entropy as the decision criterion for driver task switching. A logistic regression model is used with risk entropy as the independent variable to determine whether the driver performs a distraction task, to explain the relationship between perceived risk and distraction. Furthermore, to model a driver’s perception characteristics, a neurophysiological model of visual distraction tasks is incorporated into the QN-MHP, and executes the classical Intelligent Driver Model. The proposed driving distraction model integrates the psychological cognitive process of a driver with the physical motion characteristics, resulting in both high accuracy and interpretability. This paper uses 773 segments of distracted car-following in Shanghai Naturalistic Driving Study data (SH-NDS) to classify the patterns of distracted behavior on different road facilities and obtains three types of distraction patterns: numbness, delay, and aggressiveness. The model was calibrated and verified by simulation. The results indicate that the model can effectively simulate the distracted car-following behavior of different patterns on various roadway facilities, and its performance is better than the traditional IDM model with distraction-related error terms. The proposed model overcomes the limitations of physical-constraints-based models in replicating dangerous driving behaviors, and internal characteristics of an individual. Moreover, the model is demonstrated to effectively generate more dangerous distracted driving scenarios, which can be used to construct high-value automated driving test scenarios.

Keywords: computational cognitive model, driving distraction, microscopic traffic simulation, psychological-physical constraints

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19584 Analyzing the Results of Buildings Energy Audit by Using Grey Set Theory

Authors: Tooraj Karimi, Mohammadreza Sadeghi Moghadam

Abstract:

Grey set theory has the advantage of using fewer data to analyze many factors, and it is therefore more appropriate for system study rather than traditional statistical regression which require massive data, normal distribution in the data and few variant factors. So, in this paper grey clustering and entropy of coefficient vector of grey evaluations are used to analyze energy consumption in buildings of the Oil Ministry in Tehran. In fact, this article intends to analyze the results of energy audit reports and defines most favorable characteristics of system, which is energy consumption of buildings, and most favorable factors affecting these characteristics in order to modify and improve them. According to the results of the model, ‘the real Building Load Coefficient’ has been selected as the most important system characteristic and ‘uncontrolled area of the building’ has been diagnosed as the most favorable factor which has the greatest effect on energy consumption of building. Grey clustering in this study has been used for two purposes: First, all the variables of building relate to energy audit cluster in two main groups of indicators and the number of variables is reduced. Second, grey clustering with variable weights has been used to classify all buildings in three categories named ‘no standard deviation’, ‘low standard deviation’ and ‘non- standard’. Entropy of coefficient vector of Grey evaluations is calculated to investigate greyness of results. It shows that among the 38 buildings surveyed in terms of energy consumption, 3 cases are in standard group, 24 cases are in ‘low standard deviation’ group and 11 buildings are completely non-standard. In addition, clustering greyness of 13 buildings is less than 0.5 and average uncertainly of clustering results is 66%.

Keywords: energy audit, grey set theory, grey incidence matrixes, grey clustering, Iran oil ministry

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19583 The Corrosion Resistance of P/M Alumix 431D Compacts

Authors: J. Kazior, A. Szewczyk-Nykiel, T. Pieczonka, M. Laska

Abstract:

Aluminium alloys are an important class of engineering materials for structural applications. This is due to the fact that these alloys have many interesting properties, namely, low density, high ratio of strength to density, good thermal and electrical conductivity, good corrosion resistance as well as extensive capabilities for shaping processes. In case of classical PM technology a particular attention should be paid to the selection of appropriate parameters of compacting and sintering processes and to keeping them. The latter need arises from the high sensitivity of aluminium based alloy powders on any fluctuation of technological parameters, in particular those related to the temperature-time profile and gas flow. Only then the desired sintered compacts with residual porosity may be produced. Except high mechanical properties, the other profitable properties of almost fully dense sintered components could be expected. Among them is corrosion resistance, rarely investigated on PM aluminium alloys. Thus, in the current study the Alumix 431/D commercial, press-ready grade powder was used for this purpose. Sintered compacts made of it in different conditions (isothermal sintering temperature, gas flow rate) were subjected to corrosion experiments in 0,1 M and 0,5 M NaCl solutions. The potentiodynamic curves were used to establish parameters characterising the corrosion resistance of sintered Alumix 431/D powder, namely, the corrosion potential, the corrosion current density, the polarization resistance, the breakdown potential. The highest value of polarization resistance, the lowest value of corrosion current density and the most positive corrosion potential was obtained for Alumix431/D powder sintered at 600°C and for highest protective gas flow rate.

Keywords: aluminium alloys, sintering, corrosion resistance, industry

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19582 Study of the Influence of Refractory Nitride Additives on Hydrogen Storage Properties of Ti6Al4V-Based Materials Produced by Spark Plasma Sintering

Authors: John Olorunfemi Abe, Olawale Muhammed Popoola, Abimbola Patricia Idowu Popoola

Abstract:

Hydrogen is an appealing alternative to fossil fuels because of its abundance, low weight, high energy density, and relative lack of contaminants. However, its low density presents a number of storage challenges. Therefore, this work studies the influence of refractory nitride additives consisting of 5 wt. % each of hexagonal boron nitride (h-BN), titanium nitride (TiN), and aluminum nitride (AlN) on hydrogen storage and electrochemical characteristics of Ti6Al4V-based materials produced by spark plasma sintering. The microstructure and phase constituents of the sintered materials were characterized using scanning electron microscopy (in conjunction with energy-dispersive spectroscopy) and X-ray diffraction, respectively. Pressure-composition-temperature (PCT) measurements were used to assess the hydrogen absorption/desorption behavior, kinetics, and storage capacities of the sintered materials, respectively. The pure Ti6Al4V alloy displayed a two-phase (α+β) microstructure, while the modified composites exhibited apparent microstructural modifications with the appearance of nitride-rich secondary phases. It is found that the diffusion process controls the kinetics of the hydrogen absorption. Thus, a faster rate of hydrogen absorption at elevated temperatures ensued. The additives acted as catalysts, lowered the activation energy and accelerated the rate of hydrogen sorption in the composites relative to the monolithic alloy. Ti6Al4V-5 wt. % h-BN appears to be the most promising candidate for hydrogen storage (2.28 wt. %), followed by Ti6Al4V-5 wt. % TiN (2.09 wt. %), whereas Ti6Al4V-5 wt. % AlN shows the least hydrogen storage performance (1.35 wt. %). Accordingly, the developed hydride system (Ti6Al4V-5h-BN) may be competitive for use in applications involving short-range continuous vehicles (~50-100km) as well as stationary applications such as electrochemical devices, large-scale storage cylinders in hydrogen production locations, and hydrogen filling stations.

Keywords: hydrogen storage, Ti6Al4V hydride system, pressure-composition-temperature measurements, refractory nitride additives, spark plasma sintering, Ti6Al4V-based materials

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19581 A New Developed Formula to Determine the Shear Buckling Stress in Welded Aluminum Plate Girders

Authors: Badr Alsulami, Ahmed S. Elamary

Abstract:

This paper summarizes and presents main results of an in-depth numerical analysis dealing with the shear buckling resistance of aluminum plate girders. The studies conducted have permitted the development of a simple design expression to determine the critical shear buckling stress in aluminum web panels. This expression takes into account the effects of reduction of strength in aluminum alloys due to the welding process. Ultimate shear resistance (USR) of plate girders can be obtained theoretically using Cardiff theory or Hӧglund’s theory. USR of aluminum alloy plate girders predicted theoretically using BS8118 appear inconsistent when compared with test data. Theoretical predictions based on Hӧglund’s theory, are more realistic. Cardiff theory proposed to predict the USR of steel plate girders only. Welded aluminum alloy plate girders studied experimentally by others; the USR resulted from tests are reviewed. Comparison between the test results with the values obtained from Hӧglund’s theory, BS8118 design method, and Cardiff theory performed theoretically. Finally, a new equation based on Cardiff tension-field theory proposed to predict theoretically the USR of aluminum plate girders.

Keywords: shear resistance, aluminum, Cardiff theory, Hӧglund's theory, plate girder

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19580 Evaluation of the Effect Rare Earth Metal on the Microstructure and Properties of Zn-ZnO-Y2O3 Coating of Mild Steel

Authors: A. P. I. Popoola, O. S. I. Fayomi, V. S. Aigbodion

Abstract:

Mild steel has found many engineering applications due to its great formability, availability, low cost and good mechanical properties among others. However its functionality and durability is subject of concern due to corrosion deterioration. Based on these Yttrium is selected as reinforcing particles using electroplating process in this work to enhance the corrosion resistance. Bath formulation of zinc-yttrium was prepared at moderated temperature and pH, to coat mild steel sample. Corrosion and wear behaviour were analyzed using electrochemical potentiostat and abrasive test rig. The composition and microstructure of coated films were investigated standard method. The microstructure of the deposited plate obtained from optimum (10%Yttrium) bath revealed fine-grained deposit of the alloy in the presence of condensation product and hence modified the morphology of zinc–yttrium alloy deposit. It is demonstrated that by adding yttria particles, mild steel can be strengthened with improved polarization behaviour and higher resistance to corrosive in sodium chloride solutions. Microhardness of the coating compared to plain mild steel have increased before and after heat treatment, and an increased wear resistance was also obtained from the modified coating of zinc-yttrium.

Keywords: microhardness, zinc-yttrium, coating, mild steel, microstructure, wear, corrosion

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19579 Performance Study of Cascade Refrigeration System Using Alternative Refrigerants

Authors: Gulshan Sachdeva, Vaibhav Jain, S. S. Kachhwaha

Abstract:

Cascade refrigeration systems employ series of single stage vapor compression units which are thermally coupled with evaporator/condenser cascades. Different refrigerants are used in each of the circuit depending on the optimum characteristics shown by the refrigerant for a particular application. In the present research study, a steady state thermodynamic model is developed which simulates the working of an actual cascade system. The model provides COP and all other system parameters like total compressor work, temperature, pressure, enthalpy and entropy at different state points. The working fluid in Low Temperature Circuit (LTC) is CO2 (R744) while ammonia (R717), propane (R290), propylene (R1270), R404A and R12 are the refrigerants in High Temperature Circuit (HTC). The performance curves of ammonia, propane, propylene, and R404A are compared with R12 to find its nearest substitute. Results show that ammonia is the best substitute of R12.

Keywords: cascade system, refrigerants, thermodynamic model, production engineering

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19578 Optimization of Machining Parameters of Wire Electric Discharge Machining (WEDM) of Inconel 625 Super Alloy

Authors: Amitesh Goswami, Vishal Gulati, Annu Yadav

Abstract:

In this paper, WEDM has been used to investigate the machining characteristics of Inconel-625 alloy. The machining characteristics namely material removal rate (MRR) and surface roughness (SR) have been investigated along with surface microstructure analysis using SEM and EDS of the machined surface. Taguchi’s L27 Orthogonal array design has been used by considering six varying input parameters viz. Pulse-on time (Ton), Pulse-off time (Toff), Spark Gap Set Voltage (SV), Peak Current (IP), Wire Feed (WF) and Wire Tension (WT) for the responses of interest. It has been found out that Pulse-on time (Ton) and Spark Gap Set Voltage (SV) are the most significant parameters affecting material removal rate (MRR) and surface roughness (SR) are. Microstructure analysis of workpiece was also done using Scanning Electron Microscope (SEM). It was observed that, variations in pulse-on time and pulse-off time causes varying discharge energy and as a result of which deep craters / micro cracks and large/ small number of debris were formed. These results were helpful in studying the effects of pulse-on time and pulse-off time on MRR and SR. Energy Dispersive Spectrometry (EDS) was also done to check the compositional analysis of the material and it was observed that Copper and Zinc which were initially not present in the Inconel 625, later migrated on the material surface from the brass wire electrode during machining

Keywords: MRR, SEM, SR, taguchi, Wire Electric Discharge Machining

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19577 Electrochemical and Microstructure Properties of Chromium-Graphene and SnZn-Graphene Oxide Composite Coatings

Authors: Rekha M. Y., Punith Kumar, Anshul Kamboj, Chandan Srivastava

Abstract:

Coatings plays an important role in providing protection for a substrate and in improving the surface quality. Graphene/graphene oxide (GO) using in coating systems provides an environmental friendly solution towards protection against corrosion. Issues such as, lack of scale, high cost, low quality limits the practical application of graphene/GO as corrosion resistant coating material. One other way to employ these materials for corrosion protection is to incorporate them into coatings that are conventionally used for corrosion protection. Due to the extraordinary properties of graphene/GO, it has been demonstrated that the coatings containing graphene/GO are more corrosion resistant than pure metal/alloy coatings. In the present work, Cr-graphene and SnZn-GO composite coatings were investigated in enhancing the corrosion resistant property when compared to pure Cr coating and pure SnZn coating respectively. All the coatings were electrodeposited over mild-steel substrate. Graphene and GO were synthesized by electrochemical exfoliation method and modified Hummers’ method respectively. In Cr coatings, the microstructural study revealed that the addition of formic acid in the coatings reduced the number of cracks in the coatings. Further addition of graphene in Cr coating enhanced the Cr coating’s morphology. Chemically synthesized ZnO nanoparticles were also embedded in the as-deposited Cr and Cr-graphene coatings to enhance the adhesion of the coating, to improve the surface finish and to increase the corrosion resistant property of the coatings. Diffraction analysis revealed that the addition of graphene also altered the texture of the Cr coatings. In SnZn alloy coatings, the morphological and topographical characterization revealed that the relative smoothness and compactness of the coatings increased with increase in the addition of GO in the coatings. The microstructural investigation revealed large-scale segregation of Zn-rich and Sn-rich phases in the pure SnZn coating. However, in SnZn-GO composite coating the uniform distribution of Zn phase in the Sn-rich matrix was observed. This distribution caused the early and uniform formation of ZnO, which is the corrosion product, yielding better corrosion resistance for the SnZn-GO composite coatings as compared to pure SnZn coating. A significant improvement in corrosion resistance in terms of reduction in corrosion current and corrosion rate and increase in the polarization resistance was observed in Cr coating containing graphene and in SnZn coatings containing GO.

Keywords: coatings, corrosion, electrodeposition, graphene, graphene-oxide

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19576 The LMPA/Epoxy Mixture Encapsulation of OLED on Polyimide Substrate

Authors: Chuyi Ye, Minsang Kim, Cheol-Hee Moon

Abstract:

The organic light emitting diode(OLED), is a potential organic optical functional materials which is considered as the next generation display technology with the advantages such as all-solid state, ultra-thin thickness, active luminous and flexibility. Due to the development of polymer-inorganic substrate, it becomes possible to achieve the flexible OLED display. However the organic light-emitting material is very sensitive to the oxygen and water vapor, and the encapsulation requires water vapor transmission rate(WVTR) and oxygen transmission rate(OTR) as lower as 10-6 g/(m2.d) and 10-5 cm3/(m2.d) respectively. In current situation, the rigorous WVTR and OTR have restricted the application of the OLED display. Traditional epoxy/getter or glass frit approaches, which have been widely applied on glass-substrate-based devices, are not suitable for transparent flexible organic devices, and mechanically flexible thin-film approaches are required. To ensure the OLED’s lifetime, the encapsulation material of the OLED package is very important. In this paper, a low melting point alloy(LMPA)-epoxy mixture in the encapsulation process is introduced. There will be a phase separation when the mixture is heated to the melting of LMPA and the formation of the double line structure between two substrates: the alloy barrier has extremely low WVTR and OTR and the epoxy fills the potential tiny cracks. In our experiment, the PI film is chosen as a flexible transparent substrate, and Mo and Cu are deposited on the PI film successively. Then the two metal layers are photolithographied to the sealing pattern line. The Mo is a transition layer between the PI film and Cu, at the same time, the Cu has a good wettability with the LMPA(Sn-58Bi). At last, pattern is printed with LMPA layer and applied voltage, the gathering Joule heat melt the LMPA and form the double line structure and the OLED package is sealed in the same time. In this research, the double-line encapsulating structure of LMPA and epoxy on the PI film is manufactured for the flexible OLED encapsulation, and in this process it is investigated whether the encapsulation satisfies the requirement of WVTR and OTR for the flexible OLED.

Keywords: encapsulation, flexible, low melting point alloy, OLED

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19575 “BUM629” Special Hybrid Reinforcement Materials for Mega Structures

Authors: Gautam, Arjun, V. R. Sharma

Abstract:

In the civil construction steel and concrete plays a different role but the same purposes dealing with the design of structures that support or resist loads. Concrete has been used in construction since long time from now. Being brittle and weak in tension, concrete is always reinforced with steel bars for the purposes in beams and columns etc. The paper deals with idea of special designed 3D materials which we named as “BUM629” to be placed/anchored in the structural member and mixed with concrete later on, so as to resist the developments of cracks due to shear failure , buckling,tension and compressive load in concrete. It had cutting edge technology through Draft, Analysis and Design the “BUM629”. The results show that “BUM629” has the great results in Mechanical application. Its material properties are design according to the need of structure; we apply the material such as Mild Steel and Magnesium Alloy. “BUM629” are divided into two parts one is applied at the middle section of concrete member where bending movements are maximum and the second part is laying parallel to vertical bars near clear cover, so we design this material and apply in Reinforcement of Civil Structures. “BUM629” is analysis and design for use in the mega structures like skyscrapers, dams and bridges.

Keywords: BUM629, magnesium alloy, cutting edge technology, mechanical application, draft, analysis and design, mega structures

Procedia PDF Downloads 361
19574 Electro-Thermo-Mechanical Behaviour of Functionally Graded Material Usage in Lead Acid Storage Batteries and the Benefits

Authors: Sandeep Das

Abstract:

Terminal post is one of the most important features of a Battery. The design and manufacturing of post are very much critical especially when threaded inserts (Bolt-on type) are used since all the collected energy is delivered from the lead part to the threaded insert (Cu or Cu alloy). Any imperfection at the interface may cause Voltage drop, high resistance, high heat generation, etc. This may be because of sudden change of material properties from lead to Cu alloys. To avoid this problem, a scheme of material gradation is proposed for achieving continuous variation of material properties for the Post used in commercially available lead acid battery. The Functionally graded (FG) material for the post is considered to be composed of different layers of homogeneous material. The volume fraction of the materials used corresponding to each layer is calculated by considering its variation along the direction of current flow (z) according to a power law. Accordingly, the effective properties of the homogeneous layers are estimated and the Post composed of this FG material is modeled using the commercially available ANSYS software. The solid 186 layered structural solid element has been used for discretization of the model of the FG Post. A thermal electric analysis is performed on the layered FG model. The model developed has been validated by comparing the results of the existing Post model& experimental analysis

Keywords: ANSYS, functionally graded material, lead-acid battery, terminal post

Procedia PDF Downloads 114
19573 Alloy Design of Single Crystal Ni-base Superalloys by Combined Method of Neural Network and CALPHAD

Authors: Mehdi Montakhabrazlighi, Ercan Balikci

Abstract:

The neural network (NN) method is applied to alloy development of single crystal Ni-base Superalloys with low density and improved mechanical strength. A set of 1200 dataset which includes chemical composition of the alloys, applied stress and temperature as inputs and density and time to rupture as outputs is used for training and testing the network. Thermodynamic phase diagram modeling of the screened alloys is performed with Thermocalc software to model the equilibrium phases and also microsegregation in solidification processing. The model is first trained by 80% of the data and the 20% rest is used to test it. Comparing the predicted values and the experimental ones showed that a well-trained network is capable of accurately predicting the density and time to rupture strength of the Ni-base superalloys. Modeling results is used to determine the effect of alloying elements, stress, temperature and gamma-prime phase volume fraction on rupture strength of the Ni-base superalloys. This approach is in line with the materials genome initiative and integrated computed materials engineering approaches promoted recently with the aim of reducing the cost and time for development of new alloys for critical aerospace components. This work has been funded by TUBITAK under grant number 112M783.

Keywords: neural network, rupture strength, superalloy, thermocalc

Procedia PDF Downloads 288
19572 Exergy Analysis of a Green Dimethyl Ether Production Plant

Authors: Marcello De Falco, Gianluca Natrella, Mauro Capocelli

Abstract:

CO₂ capture and utilization (CCU) is a promising approach to reduce GHG(greenhouse gas) emissions. Many technologies in this field are recently attracting attention. However, since CO₂ is a very stable compound, its utilization as a reagent is energetic intensive. As a consequence, it is unclear whether CCU processes allow for a net reduction of environmental impacts from a life cycle perspective and whether these solutions are sustainable. Among the tools to apply for the quantification of the real environmental benefits of CCU technologies, exergy analysis is the most rigorous from a scientific point of view. The exergy of a system is the maximum obtainable work during a process that brings the system into equilibrium with its reference environment through a series of reversible processes in which the system can only interact with such an environment. In other words, exergy is an “opportunity for doing work” and, in real processes, it is destroyed by entropy generation. The exergy-based analysis is useful to evaluate the thermodynamic inefficiencies of processes, to understand and locate the main consumption of fuels or primary energy, to provide an instrument for comparison among different process configurations and to detect solutions to reduce the energy penalties of a process. In this work, the exergy analysis of a process for the production of Dimethyl Ether (DME) from green hydrogen generated through an electrolysis unit and pure CO₂ captured from flue gas is performed. The model simulates the behavior of all units composing the plant (electrolyzer, carbon capture section, DME synthesis reactor, purification step), with the scope to quantify the performance indices based on the II Law of Thermodynamics and to identify the entropy generation points. Then, a plant optimization strategy is proposed to maximize the exergy efficiency.

Keywords: green DME production, exergy analysis, energy penalties, exergy efficiency

Procedia PDF Downloads 223
19571 The Effectiveness of Bismuth Addition to Retard the Intermetallic Compound Formation

Authors: I. Siti Rabiatull Aisha, A. Ourdjini, O. Saliza Azlina

Abstract:

The aim of this paper is to study the effectiveness of bismuth addition in the solder alloy to retard the intermetallic compound formation and growth. In this study, three categories of solders such as Sn-4Ag-xCu (x = 0.5, 0.7, 1.0) and Sn-4Ag-0.5Cu-xBi (x = 0.1, 0.2, 0.4) were used. Ni/Au surface finish substrates were dipped into the molten solder at a temperature of 180-190 oC and allowed to cool at room temperature. The intermetallic compound (IMCs) were subjected to the characterization in terms of composition and morphology. The IMC phases were identified by energy dispersive x-ray (EDX), whereas the optical microscope and scanning electron microscopy (SEM) were used to observe microstructure evolution of the solder joint. The results clearly showed that copper concentration dependency was high during the reflow stage. Besides, only Ni3Sn4 and Ni3Sn2 were detected for all copper concentrations. The addition of Bi was found to have no significant effect on the type of IMCs formed, but yet the grain became further refined.

Keywords: Bismuth addition, intermetallic compound, composition, morphology

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19570 Biocompatibility and Electrochemical Assessment of Biomedical Ti-24Nb-4Zr-8Sn Produced by Spark Plasma Sintering

Authors: Jerman Madonsela, Wallace Matizamhuka, Akiko Yamamoto, Ronald Machaka, Brendon Shongwe

Abstract:

In this study, biocompatibility evaluation of nanostructured near beta Ti-24Nb-4Zr-8Sn (Ti2448) alloy with non-toxic elements produced utilizing Spark plasma sintering (SPS) of very fine microsized powders attained through mechanical alloying was performed. The results were compared with pure titanium and Ti-6Al-4V (Ti64) alloy. Cell proliferation test was performed using murine osteoblastic cells, MC3T3-E1 at two cell densities; 400 and 4000 cells/mL for 7 days incubation. Pure titanium took a lead under both conditions suggesting that the presence of other oxide layers influence cell proliferation. No significant difference in cell proliferation was observed between Ti64 and Ti2448. Potentiodynamic measurement in Hanks, 0.9% NaCl and cell culture medium showed no distinct difference on the anodic polarization curves of the three alloys, indicating that the same anodic reaction occurred on their surface but with different rates. However, Ti2448 showed better corrosion resistance in cell culture medium with a slightly lower corrosion rate of 2.96 nA/cm2 compared to 4.86 nA/cm2 and 5.62 nA/cm2 of Ti and Ti64 respectively. Ti2448 adsorbed less protein as compared to Ti and Ti64 though no notable difference in surface wettability was observed.

Keywords: biocompatibility, osteoblast, corrosion, surface wettability, protein adsorption

Procedia PDF Downloads 199
19569 The Study of Aluminum Effects Layer Austenite Twins Adjacent to K-Carbide Plates in the Cellular Structure of a Mn-Al Alloy Steel

Authors: Wu Wei-Ting, Liu Po-Yen, Chang Chin-Tzu, Cheng Wei-Chun

Abstract:

Three types of low-temperature phase transformations in an Fe-12.5 Mn-6.53 Al-1.28 C (wt %) alloy have been studied. The steel underwent solution heat treatment at 1100℃ and isothermal holding at low temperatures. γ’ phase appears in the austenite matrix in the air-cooled steel. Coherent ultra-fine particles of γ’ phase precipitated uniformly in the austenite matrix after the air-cooling process. These ultra-fine particles were very small and only could be detected by TEM through dark-field images. After short periods of isothermal holding at low temperatures these particles of γ’ phase grew and could be easily detected by TEM. A pro-eutectoid reaction happened after isothermal holding at temperatures below 875 ℃. Proeutectoid κ-carbide and ferrite appear in the austenite matrix as grain boundary precipitates and cellular precipitates. The cellular precipitates are composed of lamellar κ-carbide and austenite. The lamellar κ-carbide grains are always accompanied by layers of austenite twins. The presence of twin layers adhering to the κ-carbide plates might be attributed to the lower activation energy for the precipitation of κ-carbide plates in the austenite. The final form of phase transformation is the eutectoid reaction for the decomposition of supersaturated austenite into stable κ-carbide and ferrite phases at temperatures below 700℃. The ferrite and κ-carbide are in the form of pearlite lamellae.

Keywords: austenite, austenite twin layers, κ-carbide, twins

Procedia PDF Downloads 209
19568 Chemical, Structural and Mechanical Optimization of Zr-Based Bulk Metallic Glass for Biomedical Applications

Authors: Eliott Guérin, Remi Daudin, Georges Kalepsi, Alexis Lenain, Sebastien Gravier, Benoit Ter-Ovanessian, Damien Fabregue, Jean-Jacques Blandin

Abstract:

Due to interesting compromise between mechanical and corrosion properties, Zr-based BMGs are attractive for biomedical applications. However, the enhancement of their glass forming ability (GFA) is often achieved by addition of toxic elements like Ni or Be, which is of course a problem for such applications. Consequently, the development of Ni-free Be-free Zr-based BMGs is of great interest. We have developed a Zr-based (Ni and Be-free) amorphous metallic alloy with an elastic limit twice the one of Ti-6Al-4V. The Zr56Co28Al16 composition exhibits a yield strength close to 2 GPa and low Young’s modulus (close to 90 GPa) [1-2]. In this work, we investigated Niobium (Nb) addition through substitution of Zr up to 8 at%. Cobalt substitution has already been reported [3], but we chose Zr substitution to preserve the glass forming ability. In this case, we show that the glass forming ability for 5 mm diameters rods is maintained up to 3 at% of Nb substitution using suction casting in cooper moulds. Concerning the thermal stability, we measure a strong compositional dependence on the glass transition (Tg). Using DSC analysis (heating rate 20 K/min), we show that the Tg rises from 752 K for 0 at% of Nb to 759 K for 3 at% of Nb. Yet, the thermal range between Tg and the crystallisation temperature (Tx) remains almost unchanged from 33 K to 35 K. Uniaxial compression tests on 2 mm diameter pillars and 3 points bending (3PB) tests on 1 mm thick plates are performed to study the Nb addition on the mechanical properties and the plastic behaviour. With these tests, an optimal Nb concentration is found, improving both plasticity and fatigue resistance. Through interpretations of DSC measurements, an attempt is made to correlate the modifications of the mechanical properties with the structural changes. The optimized chemical, structural and mechanical properties through Nb addition are encouraging to develop the potential of this BMG alloy for biomedical applications. For this purpose, we performed polarisation, immersion and cytotoxicity tests. The figure illustrates the polarisation response of Zr56Co28Al16, Zr54Co28Al16Nb2 and TA6V as a reference after 2h of open circuit potential. The results show that the substitution of Zr by a small amount of Nb significantly improves the corrosion resistance of the alloy.

Keywords: metallic glasses, amorphous metal, medical, mechanical resistance, biocompatibility

Procedia PDF Downloads 131
19567 Hedgerow Detection and Characterization Using Very High Spatial Resolution SAR DATA

Authors: Saeid Gharechelou, Stuart Green, Fiona Cawkwell

Abstract:

Hedgerow has an important role for a wide range of ecological habitats, landscape, agriculture management, carbon sequestration, wood production. Hedgerow detection accurately using satellite imagery is a challenging problem in remote sensing techniques, because in the special approach it is very similar to line object like a road, from a spectral viewpoint, a hedge is very similar to a forest. Remote sensors with very high spatial resolution (VHR) recently enable the automatic detection of hedges by the acquisition of images with enough spectral and spatial resolution. Indeed, recently VHR remote sensing data provided the opportunity to detect the hedgerow as line feature but still remain difficulties in monitoring the characterization in landscape scale. In this research is used the TerraSAR-x Spotlight and Staring mode with 3-5 m resolution in wet and dry season in the test site of Fermoy County, Ireland to detect the hedgerow by acquisition time of 2014-2015. Both dual polarization of Spotlight data in HH/VV is using for detection of hedgerow. The varied method of SAR image technique with try and error way by integration of classification algorithm like texture analysis, support vector machine, k-means and random forest are using to detect hedgerow and its characterization. We are applying the Shannon entropy (ShE) and backscattering analysis in single and double bounce in polarimetric analysis for processing the object-oriented classification and finally extracting the hedgerow network. The result still is in progress and need to apply the other method as well to find the best method in study area. Finally, this research is under way to ahead to get the best result and here just present the preliminary work that polarimetric image of TSX potentially can detect the hedgerow.

Keywords: TerraSAR-X, hedgerow detection, high resolution SAR image, dual polarization, polarimetric analysis

Procedia PDF Downloads 218
19566 Friction Stir Welding of Al-Mg-Mn Aluminum Alloy Plates: A Review

Authors: K. Subbaiah, C. V. Jayakumar

Abstract:

Friction stir welding is a solid state welding process. Friction stir welding process eliminates the defects found in fusion welding processes. It is environmentally friend process. 5000 and 6000 series aluminum alloys are widely used in the transportation industries. The Al-Mg-Mn (5000) and Al-Mg-Si (6000) alloys are preferably offer best combination of use in Marine construction. The medium strength and high corrosion resistant 5000 series alloys are the aluminum alloys, which are found maximum utility in the world. In this review, the tool pin profile, process parameters such as hardness, yield strength and tensile strength, and microstructural evolution of friction stir welding of Al-Mg-Mn alloys (5000 Series) have been discussed.

Keywords: Al-Mg-Mn alloys, friction stir welding, tool pin profile, microstructure and mechanical properties

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19565 Effect of Pressure and Dissolved Oxygen on Stress Corrosion Cracking Susceptibility of Inconel 617 in Steam and Supercritical Water

Authors: Hasan Izhar Khan, Naiqiang Zhang, Hong Xu, Zhongliang Zhu, Dongfang Jiang

Abstract:

Inconel 617, a nickel-based alloy designed for high-temperature applications, got an excellent amalgamation of strength and oxidation resistance at high temperatures. For a better understanding of its suitability to be used in superheater and reheater tubes in ultra-supercritical power plants, stress corrosion cracking (SCC) susceptibility must be evaluated. In the present study, the effect of medium environment on SCC behavior of Inconel 617, in the form of a round bar tensile specimen, was tested via slow strain rate tensile tests in steam and supercritical water (SCW) at 650 °C. The results showed that SCC susceptibility has a linear relationship with exposed pressure and increases monotonically with an increase in pressure. A severe SCC susceptibility was observed in SCW followed by that in a steam environment. Fracture and gage surface showed apparent characteristics of brittle fracture. Intergranular cracks initiated from the edge region and propagated into the matrix through cross section until ductile rupture. When dissolved oxygen contents were decreased in SCW environment, it showed no noticeable effect on mechanical properties but SCC susceptibility slightly decreased. The research revealed the influence of environment on SCC susceptibility of Inconel 617 in steam and SCW.

Keywords: Inconel 617, steam, supercritical water, stress corrosion cracking

Procedia PDF Downloads 137
19564 Biophysical Study of the Interaction of Harmalol with Nucleic Acids of Different Motifs: Spectroscopic and Calorimetric Approaches

Authors: Kakali Bhadra

Abstract:

Binding of small molecules to DNA and recently to RNA, continues to attract considerable attention for developing effective therapeutic agents for control of gene expression. This work focuses towards understanding interaction of harmalol, a dihydro beta-carboline alkaloid, with different nucleic acid motifs viz. double stranded CT DNA, single stranded A-form poly(A), double-stranded A-form of poly(C)·poly(G) and clover leaf tRNAphe by different spectroscopic, calorimetric and molecular modeling techniques. Results of this study converge to suggest that (i) binding constant varied in the order of CT DNA > poly(C)·poly(G) > tRNAphe > poly(A), (ii) non-cooperative binding of harmalol to poly(C)·poly(G) and poly(A) and cooperative binding with CT DNA and tRNAphe, (iii) significant structural changes of CT DNA, poly(C)·poly(G) and tRNAphe with concomitant induction of optical activity in the bound achiral alkaloid molecules, while with poly(A) no intrinsic CD perturbation was observed, (iv) the binding was predominantly exothermic, enthalpy driven, entropy favoured with CT DNA and poly(C)·poly(G) while it was entropy driven with tRNAphe and poly(A), (v) a hydrophobic contribution and comparatively large role of non-polyelectrolytic forces to Gibbs energy changes with CT DNA, poly(C)·poly(G) and tRNAphe, and (vi) intercalated state of harmalol with CT DNA and poly(C)·poly(G) structure as revealed from molecular docking and supported by the viscometric data. Furthermore, with competition dialysis assay it was shown that harmalol prefers hetero GC sequences. All these findings unequivocally pointed out that harmalol prefers binding with ds CT DNA followed by ds poly(C)·poly(G), clover leaf tRNAphe and least with ss poly(A). The results highlight the importance of structural elements in these natural beta-carboline alkaloids in stabilizing different DNA and RNA of various motifs for developing nucleic acid based better therapeutic agents.

Keywords: calorimetry, docking, DNA/RNA-alkaloid interaction, harmalol, spectroscopy

Procedia PDF Downloads 211