Search results for: different surfaces
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1110

Search results for: different surfaces

900 Development of Latent Fingerprints on Non-Porous Surfaces Recovered from Fresh and Sea Water

Authors: A. Somaya Madkour, B. Abeer sheta, C. Fatma Badr El Dine, D. Yasser Elwakeel, E. Nermine AbdAllah

Abstract:

Criminal offenders have a fundamental goal not to leave any traces at the crime scene. Some may suppose that items recovered underwater will have no forensic value, therefore, they try to destroy the traces by throwing items in water. These traces are subjected to the destructive environmental effects. This can represent a challenge for Forensic experts investigating finger marks. Accordingly, the present study was conducted to determine the optimal method for latent fingerprints development on non-porous surfaces submerged in aquatic environments at different time interval. The two factors analyzed in this study were the nature of aquatic environment and length of submerged time. In addition, the quality of developed finger marks depending on the used method was also assessed. Therefore, latent fingerprints were deposited on metallic, plastic and glass objects and submerged in fresh or sea water for one, two, and ten days. After recovery, the items were subjected to cyanoacrylate fuming, black powder and small particle reagent processing and the prints were examined. Each print was evaluated according to fingerprint quality assessment scale. The present study demonstrated that the duration of submersion affects the quality of finger marks; the longer the duration, the worse the quality.The best results of visualization were achieved using cyanoacrylate either in fresh or sea water. This study has also revealed that the exposure to sea water had more destructive influence on the quality of detected finger marks.

Keywords: fingerprints, fresh water, sea, non-porous

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899 An Investigation of Surface Texturing by Ultrasonic Impingement of Micro-Particles

Authors: Nagalingam Arun Prasanth, Ahmed Syed Adnan, S. H. Yeo

Abstract:

Surface topography plays a significant role in the functional performance of engineered parts. It is important to have a control on the surface geometry and understanding on the surface details to get the desired performance. Hence, in the current research contribution, a non-contact micro-texturing technique has been explored and developed. The technique involves ultrasonic excitation of a tool as a prime source of surface texturing for aluminum alloy workpieces. The specimen surface is polished first and is then immersed in a liquid bath containing 10% weight concentration of Ti6Al4V grade 5 spherical powders. A submerged slurry jet is used to recirculate the spherical powders under the ultrasonic horn which is excited at an ultrasonic frequency and amplitude of 40 kHz and 70 µm respectively. The distance between the horn and workpiece surface was remained fixed at 200 µm using a precision control stage. Texturing effects were investigated for different process timings of 1, 3 and 5 s. Thereafter, the specimens were cleaned in an ultrasonic bath for 5 mins to remove loose debris on the surface. The developed surfaces are characterized by optical and contact surface profiler. The optical microscopic images show a texture of circular spots on the workpiece surface indented by titanium spherical balls. Waviness patterns obtained from contact surface profiler supports the texturing effect produced from the proposed technique. Furthermore, water droplet tests were performed to show the efficacy of the proposed technique to develop hydrophilic surfaces and to quantify the texturing effect produced.

Keywords: surface texturing, surface modification, topography, ultrasonic

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898 A Modelling of Main Bearings in the Two-Stroke Diesel Engine

Authors: Marcin Szlachetka, Rafal Sochaczewski, Lukasz Grabowski

Abstract:

This paper presents the results of the load simulations of main bearings in a two-stroke Diesel engine. A model of an engine lubrication system with connections of its main lubrication nodes, i.e., a connection of its main bearings in the engine block with the crankshaft, a connection of its crankpins with its connecting rod and a connection of its pin and its piston has been created for our calculations performed using the AVL EXCITE Designer. The analysis covers the loads given as a pressure distribution in a hydrodynamic oil film, a temperature distribution on the main bush surfaces for the specified radial clearance values as well as the impact of the force of gas on the minimum oil film thickness in the main bearings depending on crankshaft rotational speeds and temperatures of oil in the bearings. One of the main goals of the research has been to determine whether the minimum thickness of the oil film at which fluid friction occurs can be achieved for each value of crankshaft speed. Our model calculates different oil film parameters, i.e., its thickness, a pressure distribution there, the change in oil temperature. Additional enables an analysis of an oil temperature distribution on the surfaces of the bearing seats. It allows verifying the selected clearances in the bearings of the main engine under normal operation conditions and extremal ones that show a significant increase in temperature above the limit value. The research has been conducted for several engine crankshaft speeds ranging from 1000 rpm to 4000 rpm. The oil pressure in the bearings has ranged 2-5 bar according to engine speeds and the oil temperature has ranged 90-120 °C. The main bearing clearance has been adopted for the calculation and analysis as 0.025 mm. The oil classified as SAE 5W-30 has been used for the simulations. The paper discusses the selected research results referring to several specific operating points and different temperatures of the lubricating oil in the bearings. The received research results show that for the investigated main bearing bushes of the shaft, the results fall within the ranges of the limit values despite the increase in the oil temperature of the bearings reaching 120˚C. The fact that the bearings are loaded with the maximum pressure makes no excessive temperature rise on the bush surfaces. The oil temperature increases by 17˚C, reaching 137˚C at a speed of 4000 rpm. The minimum film thickness at which fluid friction occurs has been achieved for each of the operating points at each of the engine crankshaft speeds. Acknowledgement: This work has been realized in the cooperation with The Construction Office of WSK ‘PZL-KALISZ’ S.A.’ and is part of Grant Agreement No. POIR.01.02.00-00-0002/15 financed by the Polish National Centre for Research and Development.

Keywords: diesel engine, main bearings, opposing pistons, two-stroke

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897 The Influence of Surface Roughness on the Flow Fields Generated by an Oscillating Cantilever

Authors: Ciaran Conway, Nick Jeffers, Jeff Punch

Abstract:

With the current trend of miniaturisation of electronic devices, piezoelectric fans have attracted increasing interest as an alternative means of forced convection over traditional rotary solutions. Whilst there exists an abundance of research on various piezo-actuated flapping fans in the literature, the geometries of these fans all consist of a smooth rectangular cross section with thicknesses typically of the order of 100 um. The focus of these studies is primarily on variables such as frequency, amplitude, and in some cases resonance mode. As a result, the induced flow dynamics are a direct consequence of the pressure differential at the fan tip as well as the pressure-driven ‘over the top’ vortices generated at the upper and lower edges of the fan. Rough surfaces such as golf ball dimples or vortex generators on an aircraft wing have proven to be beneficial by tripping the boundary layer and energising the adjacent air flow. This paper aims to examine the influence of surface roughness on the airflow generation of a flapping fan and determine whether the induced wake can be manipulated or enhanced by energising the airflow around the fan tip. Particle Image Velocimetry (PIV) is carried out on mechanically oscillated rigid fans with various surfaces consisting of pillars, perforations and cell-like grids derived from the wing topology of natural fliers. The results of this paper may be used to inform the design of piezoelectric fans and possibly aid in understanding the complex aerodynamics inherent in flapping wing flight.

Keywords: aerodynamics, oscillating cantilevers, PIV, vortices

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896 Fabrication of Highly Stable Low-Density Self-Assembled Monolayers by Thiolyne Click Reaction

Authors: Leila Safazadeh, Brad Berron

Abstract:

Self-assembled monolayers have tremendous impact in interfacial science, due to the unique opportunity they offer to tailor surface properties. Low-density self-assembled monolayers are an emerging class of monolayers where the environment-interfacing portion of the adsorbate has a greater level of conformational freedom when compared to traditional monolayer chemistries. This greater range of motion and increased spacing between surface-bound molecules offers new opportunities in tailoring adsorption phenomena in sensing systems. In particular, we expect low-density surfaces to offer a unique opportunity to intercalate surface bound ligands into the secondary structure of protiens and other macromolecules. Additionally, as many conventional sensing surfaces are built upon gold surfaces (SPR or QCM), these surfaces must be compatible with gold substrates. Here, we present the first stable method of generating low-density self assembled monolayer surfaces on gold for the analysis of their interactions with protein targets. Our approach is based on the 2:1 addition of thiol-yne chemistry to develop new classes of y-shaped adsorbates on gold, where the environment-interfacing group is spaced laterally from neighboring chemical groups. This technique involves an initial deposition of a crystalline monolayer of 1,10 decanedithiol on the gold substrate, followed by grafting of a low-packed monolayer on through a photoinitiated thiol-yne reaction in presence of light. Orthogonality of the thiol-yne chemistry (commonly referred to as a click chemistry) allows for preparation of low-density monolayers with variety of functional groups. To date, carboxyl, amine, alcohol, and alkyl terminated monolayers have been prepared using this core technology. Results from surface characterization techniques such as FTIR, contact angle goniometry and electrochemical impedance spectroscopy confirm the proposed low chain-chain interactions of the environment interfacing groups. Reductive desorption measurements suggest a higher stability for the click-LDMs compared to traditional SAMs, along with the equivalent packing density at the substrate interface, which confirms the proposed stability of the monolayer-gold interface. In addition, contact angle measurements change in the presence of an applied potential, supporting our description of a surface structure which allows the alkyl chains to freely orient themselves in response to different environments. We are studying the differences in protein adsorption phenomena between well packed and our loosely packed surfaces, and we expect this data will be ready to present at the GRC meeting. This work aims to contribute biotechnology science in the following manner: Molecularly imprinted polymers are a promising recognition mode with several advantages over natural antibodies in the recognition of small molecules. However, because of their bulk polymer structure, they are poorly suited for the rapid diffusion desired for recognition of proteins and other macromolecules. Molecularly imprinted monolayers are an emerging class of materials where the surface is imprinted, and there is not a bulk material to impede mass transfer. Further, the short distance between the binding site and the signal transduction material improves many modes of detection. My dissertation project is to develop a new chemistry for protein-imprinted self-assembled monolayers on gold, for incorporation into SPR sensors. Our unique contribution is the spatial imprinting of not only physical cues (seen in current imprinted monolayer techniques), but to also incorporate complementary chemical cues. This is accomplished through a photo-click grafting of preassembled ligands around a protein template. This conference is important for my development as a graduate student to broaden my appreciation of the sensor development beyond surface chemistry.

Keywords: low-density self-assembled monolayers, thiol-yne click reaction, molecular imprinting

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895 Plaque Removal Efficacy of Different Dental Care Products during Fixed Orthodontic Appliance Therapy

Authors: Zeynep Karakoc, Hasan Ilhan Mutaf

Abstract:

Plaque removal efficacy of different dental brushes and mouth wash during fixed orthodontic appliance therapy was evaluated in this single-blind, crossover and prospective study. Thirty orthodontic patients aged 18 and over undergoing fixed appliance therapy at the end of leveling stage were divided into three groups. Subjects brushed their teeth with a toothbrush under standardized conditions for a period of 30 days prior to inter-dental care products. The same procedure was repeated each time with a different, randomly assigned inter-dental care products in a crossover design. (Inter-dental brush, powered inter-dental brush and mouth wash). At start and end of each removal period, plaque indexes of participants were scored. Each brush achieved statistically significant plaque removal; however, there were no statistical differences among groups for all surfaces of teeth when the plaque score was evaluated. The mouth wash group presented significant improvement in reduction of visible plaque on mesial and distal surfaces of posterior teeth. (-60.9 %, P< .001) Plaque removal for right and left side of mouth showed no significant differences within groups, only mouth wash was more efficient in right side than left side. It is concluded that effectiveness of plaque removal may not be related to the kind of inter-dental products directly. However, toothbrush when used with inter-dental care products is significantly better at removing plaque deposits from fixed appliance patients.

Keywords: orthodontics, dental care, brush, plaque

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894 Stem Cell Fate Decision Depending on TiO2 Nanotubular Geometry

Authors: Jung Park, Anca Mazare, Klaus Von Der Mark, Patrik Schmuki

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In clinical application of TiO2 implants on tooth and hip replacement, migration, adhesion and differentiation of neighboring mesenchymal stem cells onto implant surfaces are critical steps for successful bone regeneration. In a recent decade, accumulated attention has been paid on nanoscale electrochemical surface modifications on TiO2 layer for improving bone-TiO2 surface integration. We generated, on titanium surfaces, self-assembled layers of vertically oriented TiO2 nanotubes with defined diameters between 15 and 100 nm and here we show that mesenchymal stem cells finely sense TiO2 nanotubular geometry and quickly decide their cell fate either to differentiation into osteoblasts or to programmed cell death (apoptosis) on TiO2 nanotube layers. These cell fate decisions are critically dependent on nanotube size differences (15-100nm in diameters) of TiO2 nanotubes sensing by integrin clustering. We further demonstrate that nanoscale topography-sensing is feasible not only in mesenchymal stem cells but rather seems as generalized nanoscale microenvironment-cell interaction mechanism in several cell types composing bone tissue network including osteoblasts, osteoclast, endothelial cells and hematopoietic stem cells. Additionally we discuss the synergistic effect of simultaneous stimulation by nanotube-bound growth factor and nanoscale topographic cues on enhanced bone regeneration.

Keywords: TiO2 nanotube, stem cell fate decision, nano-scale microenvironment, bone regeneration

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893 Experimental and Numerical Investigation on the Torque in a Small Gap Taylor-Couette Flow with Smooth and Grooved Surface

Authors: L. Joseph, B. Farid, F. Ravelet

Abstract:

Fundamental studies were performed on bifurcation, instabilities and turbulence in Taylor-Couette flow and applied to many engineering applications like astrophysics models in the accretion disks, shrouded fans, and electric motors. Such rotating machinery performances need to have a better understanding of the fluid flow distribution to quantify the power losses and the heat transfer distribution. The present investigation is focused on high gap ratio of Taylor-Couette flow with high rotational speeds, for smooth and grooved surfaces. So far, few works has been done in a very narrow gap and with very high rotation rates and, to the best of our knowledge, not with this combination with grooved surface. We study numerically the turbulent flow between two coaxial cylinders where R1 and R2 are the inner and outer radii respectively, where only the inner is rotating. The gap between the rotor and the stator varies between 0.5 and 2 mm, which corresponds to a radius ratio η = R1/R2 between 0.96 and 0.99 and an aspect ratio Γ= L/d between 50 and 200, where L is the length of the rotor and d being the gap between the two cylinders. The scaling of the torque with the Reynolds number is determined at different gaps for different smooth and grooved surfaces (and also with different number of grooves). The fluid in the gap is air. Re varies between 8000 and 30000. Another dimensionless parameter that plays an important role in the distinction of the regime of the flow is the Taylor number that corresponds to the ratio between the centrifugal forces and the viscous forces (from 6.7 X 105 to 4.2 X 107). The torque will be first evaluated with RANS and U-RANS models, and compared to empirical models and experimental results. A mesh convergence study has been done for each rotor-stator combination. The results of the torque are compared to different meshes in 2D dimensions. For the smooth surfaces, the models used overestimate the torque compared to the empirical equations that exist in the bibliography. The closest models to the empirical models are those solving the equations near to the wall. The greatest torque achieved with grooved surface. The tangential velocity in the gap was always higher in between the rotor and the stator and not on the wall of rotor. Also the greater one was in the groove in the recirculation zones. In order to avoid endwall effects, long cylinders are used in our setup (100 mm), torque is measured by a co-rotating torquemeter. The rotor is driven by an air turbine of an automotive turbo-compressor for high angular velocities. The results of the experimental measurements are at rotational speed of up to 50 000 rpm. The first experimental results are in agreement with numerical ones. Currently, quantitative study is performed on grooved surface, to determine the effect of number of grooves on the torque, experimentally and numerically.

Keywords: Taylor-Couette flow, high gap ratio, grooved surface, high speed

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892 Comparison of Microleakage of Composite Restorations Using Fifth and Seventh Generation of Bonding Agents

Authors: Karina Nabilla, Dedi Sumantri, Nurul T. Rizal, Siti H. Yavitha

Abstract:

Background: Composite resin is the most frequently used material for restoring teeth, but still failure cases are seen which leading to microleakage. Microleakage might be attributed to various factors, one of them is bonding agent. Various generations of bonding agents have been introduced to overcome the microleakage. The aim of this study was to evaluate the microleakage of composite restorations using the fifth and seventh bonding agent. Methods: Class I cavities (3X2X2 mm) were prepared on the occlusal surfaces of 32 human upper premolars. Teeth were classified into two groups according to the type of bonding agent used (n =16). Group I: Fifth Generation of Bonding Agent-Adper Single Bond2. Group II: Seventh Generation of Bonding Agent-Single Bond Universal. All cavities were restored with Filtek Z250 XT composite resin, stored in sterile aquades water at 370C for 24 h. The root apices were sealed with sticky wax, and all the surfaces, except for 2 mm from the margins, were coated with nail varnish. The teeth were immersed in a 1% methylene blue dye solution for 24 h, and then rinsed in running water, blot-dried and sectioned longitudinally through the center of restorations from the buccal to palatal surface. The sections were blindly assessed for microleakage of dye penetration by using a stereomicroscope. Dye penetration along margin was measured in µm then calculated into the percentage and classified into scoring system 1 to 3. Data were collected and statistically analyzed by Chi-Square test. Result: There was no significant difference (p > 0,05) between two groups. Conclusion: Fifth generation of bonding agent revealed less leakage compared to the seventh generation even statistically there was no significant difference.

Keywords: composite restoration, fifth generation of bonding agent, microleakage, seventh generation of bonding agent

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891 Cartilage Mimicking Coatings to Increase the Life-Span of Bearing Surfaces in Joint Prosthesis

Authors: L. Sánchez-Abella, I. Loinaz, H-J. Grande, D. Dupin

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Aseptic loosening remains as the principal cause of revision in total hip arthroplasty (THA). For long-term implantations, submicron particles are generated in vivo due to the inherent wear of the prosthesis. When this occurs, macrophages undergo phagocytosis and secretion of bone resorptive cytokines inducing osteolysis, hence loosening of the implanted prosthesis. Therefore, new technologies are required to reduce the wear of the bearing materials and hence increase the life-span of the prosthesis. Our strategy focuses on surface modification of the bearing materials with a hydrophilic coating based on cross-linked water-soluble (meth)acrylic monomers to improve their tribological behavior. These coatings are biocompatible, with high swelling capacity and antifouling properties, mimicking the properties of natural cartilage, i.e. wear resistance with a permanent hydrated layer that prevents prosthesis damage. Cartilage mimicking based coatings may be also used to protect medical device surfaces from damage and scratches that will compromise their integrity and hence their safety. However, there are only a few reports on the mechanical and tribological characteristics of this type of coatings. Clear beneficial advantages of this coating have been demonstrated in different conditions and different materials, such as Ultra-high molecular weight polyethylene (UHMWPE), Polyethylene (XLPE), Carbon-fiber-reinforced polyetheretherketone (CFR-PEEK), cobalt-chromium (CoCr), Stainless steel, Zirconia Toughened Alumina (ZTA) and Alumina. Using routine tribological experiments, the wear for UHMWPE substrate was decreased by 75% against alumina, ZTA and stainless steel. For PEEK-CFR substrate coated, the amount of material lost against ZTA and CrCo was at least 40% lower. Experiments on hip simulator allowed coated ZTA femoral heads and coated UHMWPE cups to be validated with a decrease of 80% of loss material. Further experiments on hip simulator adding abrasive particles (1 micron sized alumina particles) during 3 million cycles, on a total of 6 million, demonstrated a decreased of around 55% of wear compared to uncoated UHMWPE and uncoated XLPE. In conclusion, CIDETEC‘s hydrogel coating technology is versatile and can be adapted to protect a large range of surfaces, even in abrasive conditions.

Keywords: cartilage, hydrogel, hydrophilic coating, joint

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890 Effect of Carbide Precipitates in Tool Steel on Material Transfer: A Molecular Dynamics Study

Authors: Ahmed Tamer AlMotasem, Jens Bergström, Anders Gåård, Pavel Krakhmalev, Thijs Jan Holleboom

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In sheet metal forming processes, accumulation and transfer of sheet material to tool surfaces, often referred to as galling, is the major cause of tool failure. Initiation of galling is assumed to occur due to local adhesive wear between two surfaces. Therefore, reducing adhesion between the tool and the work sheet has a great potential to improve the tool materials galling resistance. Experimental observations and theoretical studies show that the presence of primary micro-sized carbides and/or nitrides in alloyed steels may significantly improve galling resistance. Generally, decreased adhesion between the ceramic precipitates and the sheet material counter-surface are attributed as main reason to the latter observations. On the other hand, adhesion processes occur at an atomic scale and, hence, fundamental understanding of galling can be obtained via atomic scale simulations. In the present study, molecular dynamics simulations are used, with utilizing second nearest neighbor embedded atom method potential to investigate the influence of nano-sized cementite precipitates embedded in tool atoms. The main aim of the simulations is to gain new fundamental knowledge on galling initiation mechanisms. Two tool/work piece configurations, iron/iron and iron-cementite/iron, are studied under dry sliding conditions. We find that the average frictional force decreases whereas the normal force increases for the iron-cementite/iron system, in comparison to the iron/iron configuration. Moreover, the average friction coefficient between the tool/work-piece decreases by about 10 % for the iron-cementite/iron case. The increase of the normal force in the case of iron-cementite/iron system may be attributed to the high stiffness of cementite compared to bcc iron. In order to qualitatively explain the effect of cementite on adhesion, the adhesion force between self-mated iron/iron and cementite/iron surfaces has been determined and we found that iron/cementite surface exhibits lower adhesive force than that of iron-iron surface. The variation of adhesion force with temperature was investigated up to 600 K and we found that the adhesive force, generally, decreases with increasing temperature. Structural analyses show that plastic deformation is the main deformation mechanism of the work-piece, accompanied with dislocations generation.

Keywords: adhesion, cementite, galling, molecular dynamics

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889 The Influence of Microscopic Features on the Self-Cleaning Ability of Developed 3D Printed Fabric-Like Structures Using Different Printing Parameters

Authors: Ayat Adnan Atwah, Muhammad A. Khan

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Self-cleaning surfaces are getting significant attention in industrial fields. Especially for textile fabrics, it is observed that self-cleaning textile fabric surfaces are created by manipulating the surface features with the help of coatings and nanoparticles, which are considered costly and far more complicated. However, controlling the fabrication parameters of textile fabrics at the microscopic level by exploring the potential for self-cleaning has not been addressed. This study aimed to establish the context of self-cleaning textile fabrics by controlling the fabrication parameters of the textile fabric at the microscopic level. Therefore, 3D-printed textile fabrics were fabricated using the low-cost fused filament fabrication (FFF) technique. The printing parameters, such as orientation angle (O), layer height (LH), and extruder width (EW), were used to control the microscopic features of the printed fabrics. The combination of three printing parameters was created to provide the best self-cleaning textile fabric surface: (LH) (0.15, 0.13, 0.10 mm) and (EW) (0.5, 0.4, 0.3 mm) along with two different (O) of (45º and 90º). Three different thermoplastic flexible filament materials were used: (TPU 98A), (TPE felaflex), and (TPC flex45). The printing parameters were optimised to get the optimum self-cleaning ability of the printed specimens. Furthermore, the impact of these characteristics on mechanical strength at the fabric-woven structure level was investigated. The study revealed that the printing parameters significantly affect the self-cleaning properties after adjusting the selected combination of layer height, extruder width, and printing orientation. A linear regression model was effectively developed to demonstrate the association between 3D printing parameters (layer height, extruder width, and orientation). According to the experimental results, (TPE felaflex) has a better self-cleaning ability than the other two materials.

Keywords: 3D printing, self-cleaning fabric, microscopic features, printing parameters, fabrication

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888 Thin Films of Glassy Carbon Prepared by Cluster Deposition

Authors: Hatem Diaf, Patrice Melinon, Antonio Pereira, Bernard Moine, Nicholas Blanchard, Florent Bourquard, Florence Garrelie, Christophe Donnet

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Glassy carbon exhibits excellent biological compatibility with live tissues meaning it has high potential for applications in life science. Moreover, glassy carbon has interesting properties including 'high temperature resistance', hardness, low density, low electrical resistance, low friction, and low thermal resistance. The structure of glassy carbon has long been a subject of debate. It is now admitted that glassy carbon is 100% sp2. This term is a little bit confusing as long sp2 hybridization defined from quantum chemistry is related to both properties: threefold configuration and pi bonding (parallel pz orbitals). Using plasma laser deposition of carbon clusters combined with pulsed nano/femto laser annealing, we are able to synthesize thin films of glassy carbon of good quality (probed by G band/ D disorder band ratio in Raman spectroscopy) without thermal post annealing. A careful inspecting of Raman signal, plasmon losses and structure performed by HRTEM (High Resolution Transmission Electron Microscopy) reveals that both properties (threefold and pi orbitals) cannot coexist together. The structure of the films is compared to models including schwarzites based from negatively curved surfaces at the opposite of onions or fullerene-like structures with positively curved surfaces. This study shows that a huge collection of porous carbon named vitreous carbon with different structures can coexist.

Keywords: glassy carbon, cluster deposition, coating, electronic structure

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887 The Scanning Vibrating Electrode Technique (SVET) as a Tool for Optimising a Printed Ni(OH)2 Electrode under Charge Conditions

Authors: C. F. Glover, J. Marinaccio, A. Barnes, I. Mabbett, G. Williams

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The aim of the current study is to optimise formulations, in terms of charging efficiency, of a printed Ni(OH)2 precursor coating of a battery anode. Through the assessment of the current densities during charging, the efficiency of a range of formulations are compared. The Scanning vibrating electrode technique (SVET) is used extensively in the field of corrosion to measure area-averaged current densities of freely-corroding metal surfaces when fully immersed in electrolyte. Here, a Ni(OH)2 electrode is immersed in potassium hydroxide (30% w/v solution) electrolyte and charged using a range of applied currents. Samples are prepared whereby multiple coatings are applied to one substrate, separated by a non-conducting barrier, and charged using a constant current. With a known applied external current, electrode efficiencies can be calculated based on the current density outputs measured using SVET. When fully charged, a green Ni(OH)2 is oxidised to a black NiOOH surface. Distinct regions displaying high current density, and hence a faster oxidising reaction rate, are located using the SVET. This is confirmed by a darkening of the region upon transition to NiOOH. SVET is a highly effective tool for assessing homogeneity of electrodes during charge/discharge. This could prove particularly useful for electrodes where there are no visible surface appearance changes. Furthermore, a scanning Kelvin probe technique, traditionally used to assess underfilm delamination of organic coatings for the protection of metallic surfaces, is employed to study the change in phase of oxides, pre and post charging.

Keywords: battery, electrode, nickel hydroxide, SVET, printed

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886 Urban Agriculture in a Scandinavian Context as a Tool for Climate Adaption and for Empowering Communities through Food Production

Authors: Signe Voltelen, Kristin Astrup Aas

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In the Scandinavian cities, there is a raised focus on the potential of using urban agriculture in city development, both as a tool for handling challenges provoked by climate change and to develop new, and stronger social communities. During the last couple of years, Copenhagen has experienced an increase in extreme weather resulting in dramatical floods with huge humanitarian and economic consequences. As an approach for climate adaption and mitigation the government has made a strategy for changing a significant amount of the cities hard surfaces into green and absorbing surfaces. Including urban farms and gardens. In close collaboration with the municipality, it has been possible to implement citizen-run gardens under the different concepts climate adaption and food literacy. Like other European cities, Copenhagen has a historical tradition of small-scale farming for food security inside the city, and in the outskirts of the urban area. Lately, this tradition has gotten new relevance, and new initiatives are popping up. In addition to providing local food, the urban farm becomes a semi-public, semi-private room that invites to community and integration across ethnicity, social background, and age. The direct interaction in the process of farming creates a connection between the urban and the rural and are educational for people growing up and living their whole life in the dense city. In the paper, three local example models of urban agriculture are presented, and the experiences of their potential as tools for developing social and environmental sustainable cities is examined.

Keywords: city development, climate mitigation, community building, urban agriculture, urban- rural transition, food security

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885 Functional Surfaces and Edges for Cutting and Forming Tools Created Using Directed Energy Deposition

Authors: Michal Brazda, Miroslav Urbanek, Martina Koukolikova

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This work focuses on the development of functional surfaces and edges for cutting and forming tools created through the Directed Energy Deposition (DED) technology. In the context of growing challenges in modern engineering, additive technologies, especially DED, present an innovative approach to manufacturing tools for forming and cutting. One of the key features of DED is its ability to precisely and efficiently deposit Fully dense metals from powder feedstock, enabling the creation of complex geometries and optimized designs. Gradually, it becomes an increasingly attractive choice for tool production due to its ability to achieve high precision while simultaneously minimizing waste and material costs. Tools created using DED technology gain significant durability through the utilization of high-performance materials such as nickel alloys and tool steels. For high-temperature applications, Nimonic 80A alloy is applied, while for cold applications, M2 tool steel is used. The addition of ceramic materials, such as tungsten carbide, can significantly increase the tool's resistance. The introduction of functionally graded materials is a significant contribution, opening up new possibilities for gradual changes in the mechanical properties of the tool and optimizing its performance in different sections according to specific requirements. In this work, you will find an overview of individual applications and their utilization in the industry. Microstructural analyses have been conducted, providing detailed insights into the structure of individual components alongside examinations of the mechanical properties and tool life. These analyses offer a deeper understanding of the efficiency and reliability of the created tools, which is a key element for successful development in the field of cutting and forming tools. The production of functional surfaces and edges using DED technology can result in financial savings, as the entire tool doesn't have to be manufactured from expensive special alloys. The tool can be made from common steel, onto which a functional surface from special materials can be applied. Additionally, it allows for tool repairs after wear and tear, eliminating the need for producing a new part and contributing to an overall cost while reducing the environmental footprint. Overall, the combination of DED technology, functionally graded materials, and verified technologies collectively set a new standard for innovative and efficient development of cutting and forming tools in the modern industrial environment.

Keywords: additive manufacturing, directed energy deposition, DED, laser, cutting tools, forming tools, steel, nickel alloy

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884 TA6V Selective Laser Melting as an Innovative Method Produce Complex Shapes

Authors: Rafał Kamiński, Joel Rech, Philippe Bertrand, Christophe Desrayaud

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Additive manufacturing is a hot topic for industry. Among the additive techniques, Selective Laser Melting (SLM) becomes even more popular, especially for making parts for aerospace applications, thanks to its design freedom (customized and light structures) and its reduced time to market. However, some functional surfaces have to be machined to achieve small tolerances and low surface roughness to fulfill industry specifications. The complex shapes designed for SLM (ex: titanium turbine blades) necessitate the use of ball end milling operations like in the conventional process after forging. However, the metallurgical state of TA6V is very different from the one obtained usually from forging, because of the laser sintering layer by layer. So this paper aims to investigate the influence of new TA6V metallurgies produced by SLM on the machinability in ball end milling. Machinability is considered as the property of a material to obtain easily and by a cheap way a functional surface. This means, for instance, the property to limit cutting tool wear rate and to get smooth surfaces. So as to reach this objective, SLM parts have been produced and heat treated with various conditions leading to various metallurgies that are compared with a standard equiaxed α+β wrought microstructure. The machinability is analyzed by measuring surface roughness, tool wear and cutting forces for a range of cutting conditions (depth of cut 'ap', feed per tooth 'fz', spindle speed 'N') in accordance with industrial practices. This work has revealed that TA6V produced by SLM can lead to a better machinability that standard wrought alloys.

Keywords: ball milling, selective laser melting, surface roughness, titanium, wear

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883 Allergenic Potential of Airborne Algae Isolated from Malaysia

Authors: Chu Wan-Loy, Kok Yih-Yih, Choong Siew-Ling

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The human health risks due to poor air quality caused by a wide array of microorganisms have attracted much interest. Airborne algae have been reported as early as 19th century and they can be found in the air of tropic and warm atmospheres. Airborne algae normally originate from water surfaces, soil, trees, buildings and rock surfaces. It is estimated that at least 2880 algal cells are inhaled per day by human. However, there are relatively little data published on airborne algae and its related adverse health effects except sporadic reports of algae associated clinical allergenicity. A collection of airborne algae cultures has been established following a recent survey on the occurrence of airborne algae in indoor and outdoor environments in Kuala Lumpur. The aim of this study was to investigate the allergenic potential of the isolated airborne green and blue-green algae, namely Scenedesmus sp., Cylindrospermum sp. and Hapalosiphon sp.. The suspensions of freeze-dried airborne algae were adminstered into balb-c mice model through intra-nasal route to determine their allergenic potential. Results showed that Scenedesmus sp. (1 mg/mL) increased the systemic Ig E levels in mice by 3-8 fold compared to pre-treatment. On the other hand, Cylindrospermum sp. and Hapalosiphon sp. at similar concentration caused the Ig E to increase by 2-4 fold. The potential of airborne algae causing Ig E mediated type 1 hypersensitivity was elucidated using other immunological markers such as cytokine interleukin (IL)- 4, 5, 6 and interferon-ɣ. When we compared the amount of interleukins in mouse serum between day 0 and day 53 (day of sacrifice), Hapalosiphon sp. (1mg/mL) increased the expression of IL4 and 6 by 8 fold while the Cylindrospermum sp. (1mg/mL) increased the expression of IL4 and IFɣ by 8 and 2 fold respectively. In conclusion, repeated exposure to the three selected airborne algae may stimulate the immune response and generate Ig E in a mouse model.

Keywords: airborne algae, respiratory, allergenic, immune response, Malaysia

Procedia PDF Downloads 238
882 Time to Retire Rubber Crumb: How Soft Fall Playgrounds are Threatening Australia’s Great Barrier Reef

Authors: Michelle Blewitt, Scott P. Wilson, Heidi Tait, Juniper Riordan

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Rubber crumb is a physical and chemical pollutant of concern for the environment and human health, warranting immediate investigations into its pathways to the environment and potential impacts. This emerging microplastic is created by shredding end-of-life tyres into ‘rubber crumb’ particles between 1-5mm used on synthetic turf fields and soft-fall playgrounds as a solution to intensifying tyre waste worldwide. Despite having known toxic and carcinogenic properties, studies into the transportation pathways and movement patterns of rubber crumbs from these surfaces remain in their infancy. To address this deficit, AUSMAP, the Australian Microplastic Assessment Project, in partnership with the Tangaroa Blue Foundation, conducted a study to quantify crumb loss from soft-fall surfaces. To our best knowledge, this is the first of its kind, with funding for the audits being provided by the Australian Government’s Reef Trust. Sampling occurred at 12 soft-fall playgrounds within the Great Barrier Reef Catchment Area on Australia’s North-East coast, in close proximity to the United Nations World Heritage Listed Reef. Samples were collected over a 12-month period using randomized sediment cores at 0, 2 and 4 meters away from the playground edge along a 20-meter transect. This approach facilitated two objectives pertaining to particle movement: to establish that crumb loss is occurring and that it decreases with distance from the soft-fall surface. Rubber crumb abundance was expressed as a total value and used to determine an expected average of rubber crumb loss per m2. An Analysis of Variance (ANOVA) was used to compare the differences in crumb abundance at each interval from the playground. Site characteristics, including surrounding sediment type, playground age, degree of ultra-violet exposure and amount of foot traffic, were additionally recorded for the comparison. Preliminary findings indicate that crumb is being lost at considerable rates from soft-fall playgrounds in the region, emphasizing an urgent need to further examine it as a potential source of aquatic pollution, soil contamination and threat to individuals who regularly utilize these surfaces. Additional implications for the future of rubber crumbs as a fit-for-purpose recycling initiative will be discussed with regard to industry, governments and the economic burden of surface maintenance and/ or replacement.

Keywords: microplastics, toxic rubber crumb, litter pathways, marine environment

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881 Fast Aerodynamic Evaluation of Transport Aircraft in Early Phases

Authors: Xavier Bertrand, Alexandre Cayrel

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The early phase of an aircraft development is instrumental as it really drives the potential of a new concept. Any weakness in the high-level design (wing planform, moveable surfaces layout etc.) will be extremely difficult and expensive to recover later in the aircraft development process. Aerodynamic evaluation in this very early development phase is driven by two main criteria: a short lead-time to allow quick iterations of the geometrical design, and a high quality of the calculations to get an accurate & reliable assessment of the current status. These two criteria are usually quite contradictory. Actually, short lead time of a couple of hours from end-to-end can be obtained with very simple tools (semi-empirical methods for instance) although their accuracy is limited, whereas higher quality calculations require heavier/more complex tools, which obviously need more complex inputs as well, and a significantly longer lead time. At this point, the choice has to be done between accuracy and lead-time. A brand new approach has been developed within Airbus, aiming at obtaining quickly high quality evaluations of the aerodynamic of an aircraft. This methodology is based on a joint use of Surrogate Modelling and a lifting line code. The Surrogate Modelling is used to get the wing sections characteristics (e.g. lift coefficient vs. angle of attack), whatever the airfoil geometry, the status of the moveable surfaces (aileron/spoilers) or the high-lift devices deployment. From these characteristics, the lifting line code is used to get the 3D effects on the wing whatever the flow conditions (low/high Mach numbers etc.). This methodology has been applied successfully to a concept of medium range aircraft.

Keywords: aerodynamics, lifting line, surrogate model, CFD

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880 Inactivation Kinetics of DNA and RNA Viruses by Ozone-Air Mixture in a Flow Mixer

Authors: Nikolai Nosik, Vladislav Podmasterjev, Nina Kondrashina, Marina Chataeva, Olga Lobach, Dmitry Noosik, Sergei Razumovskii

Abstract:

Virucidal activity of ozone is well known: dissolved in water it kill viruses very fast. The virucidal capacity of ozone in ozone-air mixture is less known. The goal of the study was to investigate the virucidal potentials of the ozone–air mixture and kinetics of virus inactivation. Materials and methods. Ozone (O3 ) was generated from oxygen with ozonizer ( 1.0 – 75.0 mg\l). The ozone concentration was determined by the spectrophotometric methods. Virus contaminated samples were placed into the flowing reactor. Viruses: poliovirus type 1, vaccine strain (Sabin) and adenovirus, type 5, were obtained from the State virus collection. Titrations of viruses were carried out in appropriate cell cultures. CxT value ( mg\l x min) was calculated. Results. Metallic, polycarbonic and fiber “Kevlar” samples were contaminated with virus, dried and treated with ozone-air mixture in the flowing reactor. Kinetics of poliovirus inactivation: in 15 min at 5.0 mg\l -2.0 lg TCID50 inhibition , in 15 min at 10 mg\l – 2.5 lg TCID50 , 4.0 lg TCID50 inactivation of poliovirus was achieved after 75min at ozone concentration 20.0mg\l (99.99%). ( CxT = 75, 150 and 1500 mg\l x min on all three types of surfaces). It was found that the inactivation of poliovirus was more effective when the virus contaminated samples were wet (in 15 min at 20mg\l inhibition of virus in dry samples was 2.0 TCID50 , in wet samples – 4.0 TCID50). Adenovirus was less resistant to ozone treatment then poliovirus: 4.0 lg TCID50 inhibition was observed after 30 min of the treatment with ozone at 20mg\l ( CxT mg\l x min = 300 for adenovirus as for poliovirus it was 1500). Conclusion. It was found that ozone-air mixture inactivates viruses at rather high concentrations (compared to the reported effect of ozone dissolved in water). Despite of that there is a difference in the resistance to ozone action between viruses – poliovirus is more resistant then adenovirus-ozone-air mixture can be used for disinfection of large rooms. The maintaining of the virus-contaminated surfaces in wet condition allow to decrease the ozone load for virus inactivation.

Keywords: adenovirus, disinfection, ozone, poliovirus

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879 Performance Evaluation of Solid Lubricant Characteristics at Different Sliding Conditions

Authors: Suresh Kumar Reddy Narala, Rakesh Kumar Gunda

Abstract:

In modern industry, mechanical parts are subjected to friction and wear, leading to heat generation, which affects the reliability, life and power consumption of machinery. To overcome the tribological losses due to friction and wear, a significant portion of lubricant with high viscous properties allows very smooth relative motion between two sliding surfaces. Advancement in modern tribology has facilitated the use of applying solid lubricants in various industrial applications. Solid lubricant additives with high viscous thin film formation between the sliding surfaces can adequately wet and adhere to a work surface. In the present investigation, an attempt has been made to investigate and evaluate the tribological studies of various solid lubricants like MoS¬2, graphite, and boric acid at different sliding conditions. The base oil used in this study was SAE 40 oil with a viscosity of 220 cSt at 400C. The tribological properties were measured on pin-on-disc tribometer. An experimental set-up has been developed for effective supply of solid lubricants to the pin-disc interface zone. The results obtained from the experiments show that the friction coefficient increases with increase in applied load for all the considered environments. The tribological properties with MoS2 solid lubricant exhibit larger load carrying capacity than that of graphite and boric acid. The present research work also contributes to the understanding of the behavior of film thickness distribution of solid lubricant using potential contact technique under different sliding conditions. The results presented in this research work are expected to form a scientific basis for selecting the best solid lubricant in various industrial applications for possible minimization of friction and wear.

Keywords: friction, wear, temperature, solid lubricant

Procedia PDF Downloads 348
878 Parametric Study of 3D Micro-Fin Tubes on Heat Transfer and Friction Factor

Authors: Shima Soleimani, Steven Eckels

Abstract:

One area of special importance for surface-level study of heat exchangers is tubes with internal micro-fins (< 0.5 mm tall). Micro-finned surfaces are a kind of extended solid surface in which energy is exchanged with water that acts as the source or sink of energy. Significant performance gains are possible for either shell, tube, or double pipe heat exchangers if the best surfaces are identified. The parametric studies of micro-finned tubes that have appeared in the literature left some key parameters unexplored. Specifically, they ignored three-dimensional (3D) micro-fin configurations, conduction heat transfer in the fins, and conduction in the solid surface below the micro-fins. Thus, this study aimed at implementing a parametric study of 3D micro-finned tubes that considered micro-fin height and discontinuity features. A 3D conductive and convective heat-transfer simulation through coupled solid and periodic fluid domains is applied in a commercial package, ANSYS Fluent 19.1. The simulation is steady-state with turbulent water flow cooling inner wall of a tube with micro-fins. The simulation utilizes a constant and uniform temperature on the tube outer wall. Performance is mapped for 18 different simulation cases, including a smooth tube using a realizable k-ε turbulence model at a Reynolds number of 48,928. Results compared the performance of 3D tubes with results for the similar two-dimensional (2D) one. Results showed that the micro-fin height has greater impact on performance factor than discontinuity features in 3D micro-fin tubes. A transformed 3D micro-fin tube can enhance heat transfer and pressure drop up to 21% and 56% compared to a 2D one, respectfully.

Keywords: three-dimensional micro-finned tube, heat transfer, friction factor, heat exchanger

Procedia PDF Downloads 115
877 Parametric Study of 3D Micro-Fin Tubes on Heat Transfer and Friction Factor

Authors: Shima Soleimani, Steven Eckels

Abstract:

One area of special importance for the surface-level study of heat exchangers is tubes with internal micro-fins (< 0.5 mm tall). Micro-finned surfaces are a kind of extended solid surface in which energy is exchanged with water that acts as the source or sink of energy. Significant performance gains are possible for either shell, tube, or double pipe heat exchangers if the best surfaces are identified. The parametric studies of micro-finned tubes that have appeared in the literature left some key parameters unexplored. Specifically, they ignored three-dimensional (3D) micro-fin configurations, conduction heat transfer in the fins, and conduction in the solid surface below the micro-fins. Thus, this study aimed at implementing a parametric study of 3D micro-finned tubes that considered micro-fine height and discontinuity features. A 3D conductive and convective heat-transfer simulation through coupled solid and periodic fluid domains is applied in a commercial package, ANSYS Fluent 19.1. The simulation is steady-state with turbulent water flow cooling the inner wall of a tube with micro-fins. The simulation utilizes a constant and uniform temperature on the tube outer wall. Performance is mapped for 18 different simulation cases, including a smooth tube using a realizable k-ε turbulence model at a Reynolds number of 48,928. Results compared the performance of 3D tubes with results for the similar two-dimensional (2D) one. Results showed that the micro-fine height has a greater impact on performance factors than discontinuity features in 3D micro-fin tubes. A transformed 3D micro-fin tube can enhance heat transfer, and pressure drops up to 21% and 56% compared to a 2D one, respectfully.

Keywords: three-dimensional micro-fin tube, heat transfer, friction factor, heat exchanger

Procedia PDF Downloads 118
876 Storm-water Management for Greenfield Area Using Low Impact Development Concept for Town Planning Scheme Mechanism

Authors: Sahil Patel

Abstract:

Increasing urbanization leads to a concrete forest. The effects of new development practices occur in the natural hydrologic cycle. Here the concerns have been raised about the groundwater recharge in sufficient quantity. With further development, porous surfaces reduce rapidly. A city like Ahmedabad, with a non-perennial river, is 100% dependent on groundwater. The Ahmedabad city receives its domestic use water from the Narmada river, located about 200 km away. The expenses to bring water is much higher. Ahmedabad city receives annually 800 mm rainfall, and mostly this water increases the local level waterlogging problems; after that, water goes to the Sabarmati river and merges into the sea. The existing developed area of Ahmedabad city is very dense, and does not offer many chances to change the built form and increase porous surfaces to absorb storm-water. Therefore, there is a need to plan upcoming areas with more effective solutions to manage storm-water. This paper is focusing on the management of stormwater for new development by retaining natural hydrology. The Low Impact Development (LID) concept is used to manage storm-water efficiently. Ahmedabad city has a tool called the “Town Planning Scheme,” which helps the local body drive new development by land pooling mechanism. This paper gives a detailed analysis of the selected area (proposed Town Planning Scheme area by the local authority) in Ahmedabad. Here the development control regulations for individual developers and some physical elements for public places are presented to manage storm-water. There is a different solution for the Town Planning scheme than that of the conventional way. A local authority can use it for any area, but it can be site-specific. In the end, there are benefits to locals with some financial analysis and comparisons.

Keywords: water management, green field development, low impact development, town planning scheme

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875 Congolese Wood in the Antwerp Interwar Interior

Authors: M. Jaenen, M. de Bouw, A. Verdonck, M. Leus

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During the interwar period artificial materials were often preferred, but many Antwerp architects relied on the application of wood for most of the interior finishing works and furnishings. Archival, literature and on site research of interwar suburban townhouses and the Belgian wood and furniture industry gave a new insight to the application of wood in the interwar interior. Many interwar designers favored the decorative values in all treatments of wood because of its warmth, comfort, good-wearing, and therefore, economic qualities. For the creation of a successful modern interior the texture and surface of the wood becomes as important as the color itself. This aesthetics valuation was the result of the modernization of the wood industry. The development of veneer and plywood gave the possibility to create strong, flat, long and plain wooden surfaces which are capable of retaining their shape. Also the modernization of cutting machines resulted in high quality and diversity in texture of veneer. The flat and plain plywood surfaces were modern decorated with all kinds of veneer-sliced options. In addition, wood species from the former Belgian Colony Congo were imported. Limba (Terminalia superba), kambala (Chlorophora excelsa), mubala (Pentaclethra macrophylla) and sapelli (Entandrophragma cylindricum) were used in the interior of many Antwerp interwar suburban town houses. From the thirties onwards Belgian wood firms established modern manufactures in Congo. There the local wood was dried, cut and prepared for exportation to the harbor of Antwerp. The presence of all kinds of strong and decorative Congolese wood products supported its application in the interwar interior design. The Antwerp architects combined them in their designs for doors, floors, stairs, built-in-furniture, wall paneling and movable furniture.

Keywords: Antwerp, congo, furniture, interwar

Procedia PDF Downloads 225
874 Learning Aid for Kids in India

Authors: Prabir Mukhopadhyay, Atul Kohale

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Going to school for Indian kids is a panic situation. Many of them are unable to adjust themselves to the confinement of the school building and this problem is compounded by other factors like unknown people in the vicinity, absence of either parents etc. This project aims at addressing these issues by exposing the kids at home to the learning environment. The purpose is to design a physical model with interfaces at each surface. The model would be like a cube with interactive surfaces where the child would be able to draw, paint, complete a picture and do such fun activities.

Keywords: interface, kids, play, computer systems engineering

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873 Improvement of Thermal Comfort Conditions in an Urban Space "Case Study: The Square of Independence, Setif, Algeria"

Authors: Ballout Amor, Yasmina Bouchahm, Lacheheb Dhia Eddine Zakaria

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Several studies all around the world were conducted on the phenomenon of the urban heat island, and referring to the results obtained, one of the most important factors that influence this phenomenon is the mineralization of the cities which means the reducing of evaporative urban surfaces, replacing vegetation and wetlands with concrete and asphalt. The use of vegetation and water can change the urban environment and improve comfort, thus reduce the heat island. The trees act as a mask to the sun, wind, and sound, and also as a source of humidity which reduces air temperature and surrounding surfaces. Water also acts as a buffer to noise; it is also a source of moisture and regulates temperature not to mention the psychological effect on humans. Our main objective in this paper is to determine the impact of vegetation, ponds and fountains on the urban micro climate in general and on the thermal comfort of people along the Independence square in the Algerian city of Sétif, which is a semi-arid climate, in particularly. In order to reach this objective, a comparative study between different scenarios has been done; the use of the Envi-met program enabled us to model the urban environment of the Independence Square and to study the possibility of improving the conditions of comfort by adding an amount of vegetation and water ponds. After studying the results obtained (temperature, relative humidity, wind speed, PMV and PPD indicators), the efficiency of the additions we've made on the square was confirmed and this is what helped us to confirm our assumptions regarding the terms of comfort in the studied site, and in the end we are trying to develop recommendations and solutions which may contribute to improve the conditions for greater comfort in the Independence square.

Keywords: comfort in outer space, urban environment, scenarisation, vegetation, water ponds, public square, simulation

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872 Free Energy Computation of A G-Quadruplex-Ligand Structure: A Classical Molecular Dynamics and Metadynamics Simulation Study

Authors: Juan Antonio Mondragon Sanchez, Ruben Santamaria

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The DNA G-quadruplex is a four-stranded DNA structure formed by stacked planes of four base paired guanines (G-quartet). Guanine rich DNA sequences appear in many sites of genomic DNA and can potential form G-quadruplexes, such as those occurring at 3'-terminus of the human telomeric DNA. The formation and stabilization of a G-quadruplex by small ligands at the telomeric region can inhibit the telomerase activity. In turn, the ligands can be used to down regulate oncogene expression making G-quadruplex an attractive target for anticancer therapy. Many G-quadruplex ligands have been proposed with a planar core to facilitate the pi–pi stacking and electrostatic interactions with the G-quartets. However, many drug candidates are impossibilitated to discriminate a G-quadruplex from a double helix DNA structure. In this context, it is important to investigate the site topology for the interaction of a G-quadruplex with a ligand. In this work, we determine the free energy surface of a G-quadruplex-ligand to study the binding modes of the G-quadruplex (TG4T) with the daunomycin (DM) drug. The complex TG4T-DM is studied using classical molecular dynamics in combination with metadynamics simulations. The metadynamics simulations permit an enhanced sampling of the conformational space with a modest computational cost and obtain free energy surfaces in terms of the collective variables (CV). The free energy surfaces of TG4T-DM exhibit other local minima, indicating the presence of additional binding modes of daunomycin that are not observed in short MD simulations without the metadynamics approach. The results are compared with similar calculations on a different structure (the mutated mu-G4T-DM where the 5' thymines on TG4T-DM have been deleted). The results should be of help to design new G-quadruplex drugs, and understand the differences in the recognition topology sites of the duplex and quadruplex DNA structures in their interaction with ligands.

Keywords: g-quadruplex, cancer, molecular dynamics, metadynamics

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871 Evaluation of the Risk Factors on the Incidence of Adjacent Segment Degeneration After Anterior Neck Discectomy and Fusion

Authors: Sayyed Mostafa Ahmadi, Neda Raeesi

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Background and Objectives: Cervical spondylosis is a common problem that affects the adult spine and is the most common cause of radiculopathy and myelopathy in older patients. Anterior discectomy and fusion is a well-known technique in degenerative cervical disc disease. However, one of the late undesirable complications is adjacent disc degeneration, which affects about 91% of patients in ten years. Many factors can be effective in causing this complication, but some are still debatable. Discovering these risk factors and eliminating them can improve the quality of life. Methods: This is a retrospective cohort study. All patients who underwent anterior discectomy and fusion surgery in the neurosurgery ward of Imam Khomeini Hospital between 2013 and 2016 were evaluated. Their demographic information was collected. All patients were visited and examined for radiculopathy, myelopathy, and muscular force. At the same visit, all patients were asked to have a facelift, and neck profile, as well as a neck MRI(General Tesla 3). Preoperative graphs were used to measure the diameter of the cervical canal(Pavlov ratio) and to evaluate sagittal alignment(Cobb Angle). Preoperative MRI of patients was reviewed for anterior and posterior longitudinal ligament calcification. Result: In this study, 57 patients were studied. The mean age of patients was 50.63 years, and 49.1% were male. Only 3.5% of patients had anterior and posterior longitudinal ligament calcification. Symptomatic ASD was observed in 26.6%. The X-rays and MRIs showed evidence of 80.7% radiological ASD. Among patients who underwent one-level surgery, 20% had symptomatic ASD, but among patients who underwent two-level surgery, the rate of ASD was 50%.In other words, the higher the number of surfaces that are operated and fused, the higher the probability of symptomatic ASD(P-value <0.05). The X-rays and MRIs showed 80.7% of radiological ASD. Among patients who underwent surgery at one level, 78% had radiological ASD, and this number was 92% among patients who underwent two-level surgery(P-value> 0.05). Demographic variables such as age, sex, height, weight, and BMI did not have a significant effect on the incidence of radiological ASD(P-value> 0.05), but sex and height were two influential factors on symptomatic ASD(P-value <0.05). Other related variables such as family history, smoking and exercise also have no significant effect(P-value> 0.05). Radiographic variables such as Pavlov ratio and sagittal alignment were also unaffected by the incidence of radiological and symptomatic ASD(P-value> 0.05). The number of surgical surfaces and the incidence of anterior and posterior longitudinal ligament calcification before surgery also had no statistically significant effect(P-value> 0.05). In the study of the ability of the neck to move in different directions, none of these variables are statistically significant in the two groups with radiological and symptomatic ASD and the non-affected group(P-value> 0.05). Conclusion: According to the findings of this study, this disease is considered to be a multifactorial disease. The incidence of radiological ASD is much higher than symptomatic ASD (80.7% vs. 26.3%) and sex, height and number of fused surfaces are the only factors influencing the incidence of symptomatic ASD and no variable influences radiological ASD.

Keywords: risk factors, anterior neck disectomy and fusion, adjucent segment degeneration, complication

Procedia PDF Downloads 60