Search results for: optical orthogonal code
Commenced in January 2007
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Edition: International
Paper Count: 3344

Search results for: optical orthogonal code

2324 Automation of AAA Game Development using AI and Procedural Generation

Authors: Paul Toprac, Branden Heng, Harsheni Siddharthan, Allison Tseng, Sarah Abraham, Etienne Vouga

Abstract:

The goal of this project was to evaluate and document the capabilities and limitations of AI tools for empowering small teams to create high budget, high profile (AAA) 3D games typically developed by large studios. Two teams of novice game developers attempted to create two different games using AI and Unreal Engine 5.3. First, the teams evaluated 60 AI art, design, sound, and programming tools by considering their capability, ease of use, cost, and license restrictions. Then, the teams used a shortlist of 13 AI tools for game development. During this process, the following tools were found to be the most productive: (1) ChatGPT 4.0 for both game and narrative concepting and documentation; (2) Dall-E 3 and OpenArt for concept art; (3) Beatoven for music drafting; (4) Epic PCG for level design; and (5) ChatGPT 4.0 and Github Copilot for generating simple code and to complement human-made tutorials as an additional learning resource. While current generative AI may appear impressive at first glance, the assets they produce fall short of AAA industry standards. Generative AI tools are helpful when brainstorming ideas such as concept art and basic storylines, but they still cannot replace human input or creativity at this time. Regarding programming, AI can only effectively generate simple code and act as an additional learning resource. Thus, generative AI tools are at best tools to enhance developer productivity rather than as a system to replace developers.

Keywords: AAA games, AI, automation tools, game development

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2323 Aerodynamic Design Optimization of High-Speed Hatchback Cars for Lucrative Commercial Applications

Authors: A. Aravind, M. Vetrivel, P. Abhimanyu, C. A. Akaash Emmanuel Raj, K. Sundararaj, V. R. S. Kumar

Abstract:

The choice of high-speed, low budget hatchback car with diversified options is increasing for meeting the new generation buyers trend. This paper is aimed to augment the current speed of the hatchback cars through the aerodynamic drag reduction technique. The inverted airfoils are facilitated at the bottom of the car for generating the downward force for negating the lift while increasing the current speed range for achieving a better road performance. The numerical simulations have been carried out using a 2D steady pressure-based    k-ɛ realizable model with enhanced wall treatment. In our numerical studies, Reynolds-averaged Navier-Stokes model and its code of solution are used. The code is calibrated and validated using the exact solution of the 2D boundary layer displacement thickness at the Sanal flow choking condition for adiabatic flows. We observed through the parametric analytical studies that the inverted airfoil integrated with the bottom surface at various predesigned locations of Hatchback cars can improve its overall aerodynamic efficiency through drag reduction, which obviously decreases the fuel consumption significantly and ensure an optimum road performance lucratively with maximum permissible speed within the framework of the manufactures constraints.

Keywords: aerodynamics of commercial cars, downward force, hatchback car, inverted airfoil

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2322 Transmit Power Optimization for Cooperative Beamforming in Reverse-Link MIMO Ad-Hoc Networks

Authors: Younghyun Jeon, Seungjoo Maeng

Abstract:

In the Ad-hoc network, the great interests regarding MIMO scheme leads to their combination, which is also utilized into its applicable network. We manage the field of the problem into Reverse-link MIMO Ad-hoc Network (RMAN) and propose the methodology to maximize the data rate with its power consumption using Node-Cooperative beamforming technique. Based on the result of mathematical optimization formulation, we design the algorithm to construct optimal orthogonal weight vector according to channel feedback and control its transmission power according to QoS-pricing value level. In simulation results, we show the validity of the proposed mathematical optimization result and algorithm which mean that the sum-rate of each link is converged into some point.

Keywords: ad-hoc network, MIMO, cooperative beamforming, transmit power

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2321 Experimental Study of Infill Walls with Joint Reinforcement Subjected to In-Plane Lateral Load

Authors: J. Martin Leal-Graciano, Juan J. Pérez-Gavilán, A. Reyes-Salazar, J. H. Castorena, J. L. Rivera-Salas

Abstract:

The experimental results about the global behavior of twelve 1:2 scaled reinforced concrete frames subject to in-plane lateral load are presented. The main objective was to generate experimental evidence about the use of steel bars within mortar bed joints as shear reinforcement in infill walls. Similar to the Canadian and New Zealand standards, the Mexican code includes specifications for this type of reinforcement. However, these specifications were obtained through experimental studies of load-bearing walls, mainly confined walls. Little information is found in the existing literature about the effects of joint reinforcement on the seismic behavior of infill masonry walls. Consequently, the Mexican code establishes the same equations to estimate the contribution of joint reinforcement for both confined walls and infill walls. Confined masonry construction and a reinforced concrete frame infilled with masonry walls have similar appearances. However, substantial differences exist between these two construction systems, which are mainly related to the sequence of construction and to how these structures support vertical and lateral loads. To achieve the objective established, ten reinforced concrete frames with masonry infill walls were built and tested in pairs, having both specimens in the pair identical characteristics except that one of them included joint reinforcement. The variables between pairs were the type of units, the size of the columns of the frame, and the aspect ratio of the wall. All cases included tie columns and tie beams on the perimeter of the wall to anchor the joint reinforcement. Also, two bare frames with identical characteristics to the infilled frames were tested. The purpose was to investigate the effects of the infill wall on the behavior of the system to in-plane lateral load. In addition, the experimental results were compared with the prediction of the Mexican code. All the specimens were tested in a cantilever under reversible cyclic lateral load. To simulate gravity load, constant vertical load was applied on the top of the columns. The results indicate that the contribution of the joint reinforcement to lateral strength depends on the size of the columns of the frame. Larger size columns produce a failure mode that is predominantly a sliding mode. Sliding inhibits the production of new inclined cracks, which are necessary to activate (deform) the joint reinforcement. Regarding the effects of joint reinforcement in the performance of confined masonry walls, many facts were confirmed for infill walls. This type of reinforcement increases the lateral strength of the wall, produces a more distributed cracking, and reduces the width of the cracks. Moreover, it reduces the ductility demand of the system at maximum strength. The prediction of the lateral strength provided by the Mexican code is a property in some cases; however, the effect of the size of the columns on the contribution of joint reinforcement needs to be better understood.

Keywords: experimental study, infill wall, infilled frame, masonry wall

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2320 Ultra-High Molecular Weight Polyethylene (UHMWPE) for Radiation Dosimetry Applications

Authors: Malik Sajjad Mehmood, Aisha Ali, Hamna Khan, Tariq Yasin, Masroor Ikram

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Ultra-high molecular weight polyethylene (UHMWPE) is one of the polymers belongs to polyethylene (PE) family having monomer –CH2– and average molecular weight is approximately 3-6 million g/mol. Due its chemical, mechanical, physical and biocompatible properties, it has been extensively used in the field of electrical insulation, medicine, orthopedic, microelectronics, engineering, chemistry and the food industry etc. In order to alter/modify the properties of UHMWPE for particular application of interest, certain various procedures are in practice e.g. treating the material with high energy irradiations like gamma ray, e-beam, and ion bombardment. Radiation treatment of UHMWPE induces free radicals within its matrix, and these free radicals are the precursors of chain scission, chain accumulation, formation of double bonds, molecular emission, crosslinking etc. All the aforementioned physical and chemical processes are mainly responsible for the modification of polymers properties to use them in any particular application of our interest e.g. to fabricate LEDs, optical sensors, antireflective coatings, polymeric optical fibers, and most importantly for radiation dosimetry applications. It is therefore, to check the feasibility of using UHMWPE for radiation dosimetery applications, the compressed sheets of UHMWPE were irradiated at room temperature (~25°C) for total dose values of 30 kGy and 100 kGy, respectively while one were kept un-irradiated as reference. Transmittance data (from 400 nm to 800 nm) of e-beam irradiated UHMWPE and its hybrids were measured by using Muller matrix spectro-polarimeter. As a result significant changes occur in the absorption behavior of irradiated samples. To analyze these (radiation induced) changes in polymer matrix Urbach edge method and modified Tauc’s equation has been used. The results reveal that optical activation energy decreases with irradiation. The values of activation energies are 2.85 meV, 2.48 meV, and 2.40 meV for control, 30 kGy, and 100 kGy samples, respectively. Direct and indirect energy band gaps were also found to decrease with irradiation due to variation of C=C unsaturation in clusters. We believe that the reported results would open new horizons for radiation dosimetery applications.

Keywords: electron beam, radiation dosimetry, Tauc’s equation, UHMWPE, Urbach method

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2319 Two Component Source Apportionment Based on Absorption and Size Distribution Measurement

Authors: Tibor Ajtai, Noémi Utry, Máté Pintér, Gábor Szabó, Zoltán Bozóki

Abstract:

Beyond its climate and health related issues ambient light absorbing carbonaceous particulate matter (LAC) has also become a great scientific interest in terms of its regulations recently. It has been experimentally demonstrated in recent studies, that LAC is dominantly composed of traffic and wood burning aerosol particularly under wintertime urban conditions, when the photochemical and biological activities are negligible. Several methods have been introduced to quantitatively apportion aerosol fractions emitted by wood burning and traffic but most of them require costly and time consuming off-line chemical analysis. As opposed to chemical features, the microphysical properties of airborne particles such as optical absorption and size distribution can be easily measured on-line, with high accuracy and sensitivity, especially under highly polluted urban conditions. Recently a new method has been proposed for the apportionment of wood burning and traffic aerosols based on the spectral dependence of their absorption quantified by the Aerosol Angström Exponent (AAE). In this approach the absorption coefficient is deduced from transmission measurement on a filter accumulated aerosol sample and the conversion factor between the measured optical absorption and the corresponding mass concentration (the specific absorption cross section) are determined by on-site chemical analysis. The recently developed multi-wavelength photoacoustic instruments provide novel, in-situ approach towards the reliable and quantitative characterization of carbonaceous particulate matter. Therefore, it also opens up novel possibilities on the source apportionment through the measurement of light absorption. In this study, we demonstrate an in-situ spectral characterization method of the ambient carbon fraction based on light absorption and size distribution measurements using our state-of-the-art multi-wavelength photoacoustic instrument (4λ-PAS) and Single Mobility Particle Sizer (SMPS) The carbonaceous particulate selective source apportionment study was performed for ambient particulate matter in the city center of Szeged, Hungary where the dominance of traffic and wood burning aerosol has been experimentally demonstrated earlier. The proposed model is based on the parallel, in-situ measurement of optical absorption and size distribution. AAEff and AAEwb were deduced from the measured data using the defined correlation between the AOC(1064nm)/AOC(266nm) and N100/N20 ratios. σff(λ) and σwb(λ) were determined with the help of the independently measured temporal mass concentrations in the PM1 mode. Furthermore, the proposed optical source apportionment is based on the assumption that the light absorbing fraction of PM is exclusively related to traffic and wood burning. This assumption is indirectly confirmed here by the fact that the measured size distribution is composed of two unimodal size distributions identified to correspond to traffic and wood burning aerosols. The method offers the possibility of replacing laborious chemical analysis with simple in-situ measurement of aerosol size distribution data. The results by the proposed novel optical absorption based source apportionment method prove its applicability whenever measurements are performed at an urban site where traffic and wood burning are the dominant carbonaceous sources of emission.

Keywords: absorption, size distribution, source apportionment, wood burning, traffic aerosol

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2318 Optimization of Three-Layer Corrugated Metal Gasket by Using Finite Element Method

Authors: I Made Gatot Karohika, Shigeyuki Haruyama, Ken Kaminishi

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In this study, we proposed a three-layer metal gasket with Al, Cu, and SUS304 as the material, respectively. A finite element method was employed to develop simulation solution and design of experiment (DOE). Taguchi method was used to analysis the effect of each parameter design and predicts optimal design of new 25A-size three layer corrugated metal gasket. The L18 orthogonal array of Taguchi method was applied to design experiment matrix for eight factors with three levels. Based on elastic mode and plastic mode, optimum design gasket is gasket with core metal SUS304, surface layer aluminum, p1 = 4.5 mm, p2 = 4.5 mm, p3 = 4 mm, Tg = 1.2 mm, R = 3.5 mm, h = 0.4 mm and Ts = 0.3 mm.

Keywords: contact width, contact stress, layer, metal gasket, corrugated, simulation

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2317 Optical Characterization of Transition Metal Ion Doped ZnO Microspheres Synthesized via Laser Ablation in Air

Authors: Parvathy Anitha, Nilesh J. Vasa, M. S. Ramachandra Rao

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ZnO is a semiconducting material with a direct wide band gap of 3.37 eV and a large exciton binding energy of 60 meV at room temperature. Microspheres with high sphericity and symmetry exhibit unique functionalities which makes them excellent omnidirectional optical resonators. Hence there is an advent interest in fabrication of single crystalline semiconductor microspheres especially magnetic ZnO microspheres, as ZnO is a promising material for semiconductor device applications. Also, ZnO is non-toxic and biocompatible, implying it is a potential material for biomedical applications. Room temperature Photoluminescence (PL) spectra of the fabricated ZnO microspheres were measured, at an excitation wavelength of 325 nm. The ultraviolet (UV) luminescence observed is attributed to the room-temperature free exciton related near-band-edge (NBE) emission in ZnO. Besides the NBE luminescence, weak and broad visible luminescence (~560nm) was also observed. This broad emission band in the visible range is associated with oxygen vacancies related to structural defects. In transition metal (TM) ion-doped ZnO, 3d levels emissions of TM ions will modify the inherent characteristic emissions of ZnO. A micron-sized ZnO crystal has generally a wurtzite structure with a natural hexagonal cross section, which will serve as a WGM (whispering gallery mode) lasing micro cavity due to its high refractive index (~2.2). But hexagonal cavities suffers more optical loss at their corners in comparison to spherical structures; hence spheres may be a better candidate to achieve effective light confinement. In our study, highly smooth spherical shaped micro particles with different diameters ranging from ~4 to 6 μm were grown on different substrates. SEM (Scanning Electron Microscopy) and AFM (Atomic Force Microscopy) images show the presence of uniform smooth surfaced spheres. Raman scattering measurements from the fabricated samples at 488 nm light excitation provide convincing supports for the wurtzite structure of the prepared ZnO microspheres. WGM lasing studies from TM-doped ZnO microparticles are in progress.

Keywords: laser ablation, microcavity, photoluminescence, ZnO microsphere

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2316 Study on Acoustic Source Detection Performance Improvement of Microphone Array Installed on Drones Using Blind Source Separation

Authors: Youngsun Moon, Yeong-Ju Go, Jong-Soo Choi

Abstract:

Most drones that currently have surveillance/reconnaissance missions are basically equipped with optical equipment, but we also need to use a microphone array to estimate the location of the acoustic source. This can provide additional information in the absence of optical equipment. The purpose of this study is to estimate Direction of Arrival (DOA) based on Time Difference of Arrival (TDOA) estimation of the acoustic source in the drone. The problem is that it is impossible to measure the clear target acoustic source because of the drone noise. To overcome this problem is to separate the drone noise and the target acoustic source using Blind Source Separation(BSS) based on Independent Component Analysis(ICA). ICA can be performed assuming that the drone noise and target acoustic source are independent and each signal has non-gaussianity. For maximized non-gaussianity each signal, we use Negentropy and Kurtosis based on probability theory. As a result, we can improve TDOA estimation and DOA estimation of the target source in the noisy environment. We simulated the performance of the DOA algorithm applying BSS algorithm, and demonstrated the simulation through experiment at the anechoic wind tunnel.

Keywords: aeroacoustics, acoustic source detection, time difference of arrival, direction of arrival, blind source separation, independent component analysis, drone

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2315 Prediction of Flow Around a NACA 0015 Profile

Authors: Boukhadia Karima

Abstract:

The fluid mechanics is the study of fluid motion laws and their interaction with solid bodies, this project leads to illustrate this interaction with depth studies and approved by experiments on the wind tunnel TE44, ensuring the efficiency, accuracy and reliability of these tests on a NACA0015 profile. A symmetric NACA0015 was placed in a subsonic wind tunnel, and measurements were made of the pressure on the upper and lower surface of the wing and of the velocity across the vortex trailing downstream from the tip of the wing. The aim of this work is to investigate experimentally the scattered pressure profile in a free airflow and the aerodynamic forces acting on this profile. The addition of around-lateral edge to the wing tip was found to eliminate the secondary vortex near the wing tip, but had little effect on the downstream characteristics of the trailing vortex. The increase in wing lift near the tip because of the presence of the trailing vortex was evident in the surface pressure, but was not captured by circulation-box measurements. The circumferential velocity within the vortex was found to reach free-stream values and produce core rotational speeds. Near the wing, the trailing vortex is asymmetric and contains definite zones where the stream wise velocity both exceeds and falls behind the free-stream value. When referenced to the free stream velocity, the maximum vertical velocity of the vortex is directly dependent on α and is independent of Re. A numerical study was conducted through a CFD code called FLUENT 6.0, and the results are compared with experimental.

Keywords: CFD code, NACA Profile, detachment, angle of incidence, wind tunnel

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2314 The Enhancement of Target Localization Using Ship-Borne Electro-Optical Stabilized Platform

Authors: Jaehoon Ha, Byungmo Kang, Kilho Hong, Jungsoo Park

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Electro-optical (EO) stabilized platforms have been widely used for surveillance and reconnaissance on various types of vehicles, from surface ships to unmanned air vehicles (UAVs). EO stabilized platforms usually consist of an assembly of structure, bearings, and motors called gimbals in which a gyroscope is installed. EO elements such as a CCD camera and IR camera, are mounted to a gimbal, which has a range of motion in elevation and azimuth and can designate and track a target. In addition, a laser range finder (LRF) can be added to the gimbal in order to acquire the precise slant range from the platform to the target. Recently, a versatile functionality of target localization is needed in order to cooperate with the weapon systems that are mounted on the same platform. The target information, such as its location or velocity, needed to be more accurate. The accuracy of the target information depends on diverse component errors and alignment errors of each component. Specially, the type of moving platform can affect the accuracy of the target information. In the case of flying platforms, or UAVs, the target location error can be increased with altitude so it is important to measure altitude as precisely as possible. In the case of surface ships, target location error can be increased with obliqueness of the elevation angle of the gimbal since the altitude of the EO stabilized platform is supposed to be relatively low. The farther the slant ranges from the surface ship to the target, the more extreme the obliqueness of the elevation angle. This can hamper the precise acquisition of the target information. So far, there have been many studies on EO stabilized platforms of flying vehicles. However, few researchers have focused on ship-borne EO stabilized platforms of the surface ship. In this paper, we deal with a target localization method when an EO stabilized platform is located on the mast of a surface ship. Especially, we need to overcome the limitation caused by the obliqueness of the elevation angle of the gimbal. We introduce a well-known approach for target localization using Unscented Kalman Filter (UKF) and present the problem definition showing the above-mentioned limitation. Finally, we want to show the effectiveness of the approach that will be demonstrated through computer simulations.

Keywords: target localization, ship-borne electro-optical stabilized platform, unscented kalman filter

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2313 High Responsivity of Zirconium boride/Chromium Alloy Heterostructure for Deep and Near UV Photodetector

Authors: Sanjida Akter, Ambali Alade Odebowale, Andrey E. Miroshnichenko, Haroldo T. Hattori

Abstract:

Photodetectors (PDs) play a pivotal role in optoelectronics and optical devices, serving as fundamental components that convert light signals into electrical signals. As the field progresses, the integration of advanced materials with unique optical properties has become a focal point, paving the way for the innovation of novel PDs. This study delves into the exploration of a cutting-edge photodetector designed for deep and near ultraviolet (UV) applications. The photodetector is constructed with a composite of Zirconium Boride (ZrB2) and Chromium (Cr) alloy, deposited onto a 6H nitrogen-doped silicon carbide substrate. The determination of the optimal alloy thickness is achieved through Finite-Difference Time-Domain (FDTD) simulation, and the synthesis of the alloy is accomplished using radio frequency (RF) sputtering. Remarkably, the resulting photodetector exhibits an exceptional responsivity of 3.5 A/W under an applied voltage of -2 V, at wavelengths of 405 nm and 280 nm. This heterostructure not only exemplifies high performance but also provides a versatile platform for the development of near UV photodetectors capable of operating effectively in challenging conditions, such as environments characterized by high power and elevated temperatures. This study contributes to the expanding landscape of photodetector technology, offering a promising avenue for the advancement of optoelectronic devices in demanding applications.

Keywords: responsivity, silicon carbide, ultraviolet photodetector, zirconium boride

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2312 Examining Child Rape Provisions of Bangladesh in Comparison with Other South Asian Countries

Authors: Monira Nazmi Jahan

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Child rape or child abuse is a serious and fearsome crime against children, which is an epidemic almost in every state of today’s world. However, in the case of Bangladesh, the scenario is terrifying. The objective of this paper is to examine the laws relating to child rape in Bangladesh as according to a renowned Daily Newspaper 'Prothom Alo', nearly 346 children are being raped since January 2019. This paper discusses and draws the difference of child rape provisions of Bangladesh with other South-Asian countries, comprises of India, Maldives, Pakistan, Sri Lanka, Nepal, Bhutan, and Afghanistan. In Bangladesh, girls below 18 years are considered to be a child. ‘The Penal Code, 1860’ and a special law ‘Nari O Shishu Nirjatan Daman Ain, 2012’ provides that any person committing child rape will be punished with rigorous life imprisonment and fine. This piece of law also gives provisions for punishment in case of child’s death after the commission of rape and gang rape, and the punishment is the death penalty. In India there is ‘The Protection of Children from Sexual Offences Act, 2012’ (POSCO) which has separate provisions for sexual assault, penetrative sexual assault and aggravated penetrative sexual assault by different categories of person such as relatives, institutional officers and trustees and also for mentally and physically challenged child victims and provides punishment up to death penalty. In Pakistan, there is ‘Pakistan Penal Code Amended Act, 2016’ which has only two provisions for child rape. In case offence committed by one person, the punishment is 10 to 25 years of imprisonment and fine. In case of offence committed by two or more persons, each shall be liable to death or imprisonment for life. Unfortunately, Afghanistan has no laws for the protection of rape victims of women let alone children, whereas there are a lot of child rape cases, including both girls and boys who are used for sexual slavery. The Maldives has a special law named ‘Special Provisions Act to Deal with Child Sex Abuse Offenders.’ This has categorized the offenders like POSCO and has provided punishments accordingly. The punishments are: punishments range from 1 to 25 years accordingly, whereas Bangladesh has lesser provisions, but the gravity and duration of punishments are much higher. The Penal Code of Sri Lanka imposes a minimum sentence of 10 years for those convicted of raping a child under 18 years. In Bhutan, child rape provision is made according to the age of a child. ‘The Penal Code of Bhutan, 2004’, mentions provisions for the rape of a child in case of child rape below and above 12 years, gang rape of a child below and above 12 years and has graded the punishments as first, second and third degree. Though Bangladesh has better provisions for punishments, the ages are not categorized in the laws. In Nepal there is ‘Act relating to Children, 2018’ provisions are made for offenders who use or cause or engage child sexual exploitation, and the punishment is same for rape offenders according to prevailing laws in Nepal. No separate punishments for child offenders are made. The ultimate conclusion that can be drawn is Bangladesh has better punishments than all other South-Asian countries and same punishment as India however, Bangladesh can make or amend the laws and categorize offenders as like POSCO of India, Special provisions of Maldives and Bhutan.

Keywords: child rape, death penalty, sexual slavery, South Asia

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2311 The Application of King IV by Rugby Clubs Affiliated to a Rugby Union in South Africa

Authors: Anouschka Swart

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In 2023, sport faces a plethora of challenges including but not limited to match-fixing, corruption and doping to its integrity that, threatens both the commercial and public appeal. The continuous changes and commercialisation that has occurred within sport have led to a variety of consequences resulting in the need for ethics to be revived, as it used to be in the past to ensure sport is not in danger. In order to understand governance better, the Institute of Directors in Southern Africa, a global network of professional firms providing Audit, Tax and Advisory services, outlined a process explaining all elements with regards to corporate governance. This process illustrates a governing body’s responsibilities as strategy, policy, oversight and accountability. These responsibilities are further elucidated to 16 governing principles which are highlighted as essential for all organisations in order to achieve and deliver on effective governance outcomes. These outcomes are good ethical culture, good performance, effective control and legitimacy therefore, the aim of the study was to investigate the general state of governance within the clubs affiliated with a rugby club in South Africa by utilizing the King IV Code as the framework. The results indicated that the King Code IV principles are implemented by these rugby clubs to ensure they demonstrate commitment to corporate governance to both internal and external stakeholders. It is however evident that a similar report focused solely on sport is a necessity in the industry as this will provide more clarity on sport specific problems.

Keywords: South Africa, sport, King IV, responsibilities

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2310 Effect of Annealing on Electrodeposited ZnTe Thin Films in Non-Aqueous Medium

Authors: Shyam Ranjan Kumar, Shashikant Rajpal

Abstract:

Zinc Telluride (ZnTe) is a binary II-VI direct band gap semiconducting material. This semiconducting material has several applications in sensors, photo-electrochemical devices and photovoltaic solar cell. In this study, Zinc telluride (ZnTe) thin films were deposited on nickel substrate by electrodeposition technique using potentiostat/galvanostat at -0.85 V using AR grade of Zinc Chloride (ZnCl2), Tellurium Tetrachloride (TeCl4) in non-aqueous bath. The developed films were physically stable and showed good adhesion. The as deposited ZnTe films were annealed at 400ºC in air. The solid state properties and optical properties of the as deposited and annealed films were carried out by XRD, EDS, SEM, AFM, UV–Visible spectrophotometer, and photoluminescence spectrophotometer. The diffraction peak observed at 2θ = 49.58° with (111) plane indicate the crystalline nature of ZnTe film. Annealing improves the crystalline nature of the film. Compositional analysis reveals the presence of Zn and Te with tellurium rich ZnTe film. SEM photograph at 10000X shows that grains of film are spherical in nature and densely distributed over the surface. The average roughness of the film is measured by atomic force microscopy and it is nearly equal to 60 nm. The direct wide band gap of 2.12 eV is observed by UV-Vis spectroscopy. Luminescence peak of the ZnTe films are also observed in as deposited and annealed case.

Keywords: annealing, electrodeposition, optical properties, thin film, XRD, ZnTe

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2309 Electroactive Fluorene-Based Polymer Films Obtained by Electropolymerization

Authors: Mariana-Dana Damaceanu

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Electrochemical oxidation is one of the most convenient ways to obtain conjugated polymer films as polypyrrole, polyaniline, polythiophene or polycarbazole. The research in the field has been mainly directed to the study of electrical conduction properties of the materials obtained by electropolymerization, often the main reason being their use as electroconducting electrodes, and very little attention has been paid to the morphological and optical quality of the films electrodeposited on flat surfaces. Electropolymerization of the monomer solution was scarcely used in the past to manufacture polymer-based light-emitting diodes (PLED), most probably due to the difficulty of obtaining defectless polymer films with good mechanical and optical properties, or conductive polymers with well controlled molecular weights. Here we report our attempts in using electrochemical deposition as appropriate method for preparing ultrathin films of fluorene-based polymers for PLED applications. The properties of these films were evaluated in terms of structural morphology, optical properties, and electrochemical conduction. Thus, electropolymerization of 4,4'-(9-fluorenylidene)-dianiline was performed in dichloromethane solution, at a concentration of 10-2 M, using 0.1 M tetrabutylammonium tetrafluoroborate as electrolyte salt. The potential was scanned between 0 and 1.3 V on the one hand, and 0 - 2 V on the other hand, when polymer films with different structures and properties were obtained. Indium tin oxide-coated glass substrate of different size was used as working electrode, platinum wire as counter electrode and calomel electrode as reference. For each potential range 100 cycles were recorded at a scan rate of 100 mV/s. The film obtained in the potential range from 0 to 1.3 V, namely poly(FDA-NH), is visible to the naked eye, being light brown, transparent and fluorescent, and displays an amorphous morphology. Instead, the electrogrowth poly(FDA) film in the potential range of 0 - 2 V is yellowish-brown and opaque, presenting a self-assembled structure in aggregates of irregular shape and size. The polymers structure was identified by FTIR spectroscopy, which shows the presence of broad bands specific to a polymer, the band centered at approx. 3443 cm-1 being ascribed to the secondary amine. The two polymer films display two absorption maxima, at 434-436 nm assigned to π-π* transitions of polymers, and another at 832 and 880 nm assigned to polaron transitions. The fluorescence spectra indicated the presence of emission bands in the blue domain, with two peaks at 422 and 488 nm for poly (FDA-NH), and four narrow peaks at 422, 447, 460 and 484 nm for poly(FDA), peaks originating from fluorene-containing segments of varying degrees of conjugation. Poly(FDA-NH) exhibited two oxidation peaks in the anodic region and the HOMO energy value of 5.41 eV, whereas poly(FDA) showed only one oxidation peak and the HOMO level localized at 5.29 eV. The electrochemical data are discussed in close correlation with the proposed chemical structure of the electrogrowth films. Further research will be carried out to study their use and performance in light-emitting devices.

Keywords: electrogrowth polymer films, fluorene, morphology, optical properties

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2308 Enhancing Efficiency of Building through Translucent Concrete

Authors: Humaira Athar, Brajeshwar Singh

Abstract:

Generally, the brightness of the indoor environment of buildings is entirely maintained by the artificial lighting which has consumed a large amount of resources. It is reported that lighting consumes about 19% of the total generated electricity which accounts for about 30-40% of total energy consumption. One possible way is to reduce the lighting energy by exploiting sunlight either through the use of suitable devices or energy efficient materials like translucent concrete. Translucent concrete is one such architectural concrete which allows the passage of natural light as well as artificial light through it. Several attempts have been made on different aspects of translucent concrete such as light guiding materials (glass fibers, plastic fibers, cylinder etc.), concrete mix design and manufacturing methods for use as building elements. Concerns are, however, raised on various related issues such as poor compatibility between the optical fibers and cement paste, unaesthetic appearance due to disturbance occurred in the arrangement of fibers during vibration and high shrinkage in flowable concrete due to its high water/cement ratio. Need is felt to develop translucent concrete to meet the requirement of structural safety as OPC concrete with the maximized saving in energy towards the power of illumination and thermal load in buildings. Translucent concrete was produced using pre-treated plastic optical fibers (POF, 2mm dia.) and high slump white concrete. The concrete mix was proportioned in the ratio of 1:1.9:2.1 with a w/c ratio of 0.40. The POF was varied from 0.8-9 vol.%. The mechanical properties and light transmission of this concrete were determined. Thermal conductivity of samples was measured by a transient plate source technique. Daylight illumination was measured by a lux grid method as per BIS:SP-41. It was found that the compressive strength of translucent concrete increased with decreasing optical fiber content. An increase of ~28% in the compressive strength of concrete was noticed when fiber was pre-treated. FE-SEM images showed little-debonded zone between the fibers and cement paste which was well supported with pull-out bond strength test results (~187% improvement over untreated). The light transmission of concrete was in the range of 3-7% depending on fiber spacing (5-20 mm). The average daylight illuminance (~75 lux) was nearly equivalent to the criteria specified for illumination for circulation (80 lux). The thermal conductivity of translucent concrete was reduced by 28-40% with respect to plain concrete. The thermal load calculated by heat conduction equation was ~16% more than the plain concrete. Based on Design-Builder software, the total annual illumination energy load of a room using one side translucent concrete was 162.36 kW compared with the energy load of 249.75 kW for a room without concrete. The calculated energy saving on an account of the power of illumination was ~25%. A marginal improvement towards thermal comfort was also noticed. It is concluded that the translucent concrete has the advantages of the existing concrete (load bearing) with translucency and insulation characteristics. It saves a significant amount of energy by providing natural daylight instead of artificial power consumption of illumination.

Keywords: energy saving, light transmission, microstructure, plastic optical fibers, translucent concrete

Procedia PDF Downloads 128
2307 Estimation of Normalized Glandular Doses Using a Three-Layer Mammographic Phantom

Authors: Kuan-Jen Lai, Fang-Yi Lin, Shang-Rong Huang, Yun-Zheng Zeng, Po-Chieh Hsu, Jay Wu

Abstract:

The normalized glandular dose (DgN) estimates the energy deposition of mammography in clinical practice. The Monte Carlo simulations frequently use uniformly mixed phantom for calculating the conversion factor. However, breast tissues are not uniformly distributed, leading to errors of conversion factor estimation. This study constructed a three-layer phantom to estimated more accurate of normalized glandular dose. In this study, MCNP code (Monte Carlo N-Particles code) was used to create the geometric structure. We simulated three types of target/filter combinations (Mo/Mo, Mo/Rh, Rh/Rh), six voltages (25 ~ 35 kVp), six HVL parameters and nine breast phantom thicknesses (2 ~ 10 cm) for the three-layer mammographic phantom. The conversion factor for 25%, 50% and 75% glandularity was calculated. The error of conversion factors compared with the results of the American College of Radiology (ACR) was within 6%. For Rh/Rh, the difference was within 9%. The difference between the 50% average glandularity and the uniform phantom was 7.1% ~ -6.7% for the Mo/Mo combination, voltage of 27 kVp, half value layer of 0.34 mmAl, and breast thickness of 4 cm. According to the simulation results, the regression analysis found that the three-layer mammographic phantom at 0% ~ 100% glandularity can be used to accurately calculate the conversion factors. The difference in glandular tissue distribution leads to errors of conversion factor calculation. The three-layer mammographic phantom can provide accurate estimates of glandular dose in clinical practice.

Keywords: Monte Carlo simulation, mammography, normalized glandular dose, glandularity

Procedia PDF Downloads 189
2306 Acoustic Emission Monitoring of Surface Roughness in Ultra High Precision Grinding of Borosilicate-Crown Glass

Authors: Goodness Onwuka, Khaled Abou-El-Hossein

Abstract:

The increase in the demand for precision optics, coupled with the absence of much research output in the ultra high precision grinding of precision optics as compared to the ultrahigh precision diamond turning of optical metals has fostered the need for more research in the ultra high precision grinding of an optical lens. Furthermore, the increase in the stringent demands for nanometric surface finishes through lapping, polishing and grinding processes necessary for the use of borosilicate-crown glass in the automotive and optics industries has created the demand to effectively monitor the surface roughness during the production process. Acoustic emission phenomenon has been proven as useful monitoring technique in several manufacturing processes ranging from monitoring of bearing production to tool wear estimation. This paper introduces a rare and unique approach with the application of acoustic emission technique to monitor the surface roughness of borosilicate-crown glass during an ultra high precision grinding process. This research was carried out on a 4-axes Nanoform 250 ultrahigh precision lathe machine using an ultra high precision grinding spindle to machine the flat surface of the borosilicate-crown glass with the tip of the grinding wheel. A careful selection of parameters and design of experiment was implemented using Box-Behnken method to vary the wheel speed, feed rate and depth of cut at three levels with a 3-center point design. Furthermore, the average surface roughness was measured using Taylor Hobson PGI Dimension XL optical profilometer, and an acoustic emission data acquisition device from National Instruments was utilized to acquire the signals while the data acquisition codes were designed with National Instrument LabVIEW software for acquisition at a sampling rate of 2 million samples per second. The results show that the raw and root mean square amplitude values of the acoustic signals increased with a corresponding increase in the measured average surface roughness values for the different parameter combinations. Therefore, this research concludes that acoustic emission monitoring technique is a potential technique for monitoring the surface roughness in the ultra high precision grinding of borosilicate-crown glass.

Keywords: acoustic emission, borosilicate-crown glass, surface roughness, ultra high precision grinding

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2305 Experimental Investigation on Over-Cut in Ultrasonic Machining of WC-Co Composite

Authors: Ravinder Kataria, Jatinder Kumar, B. S. Pabla

Abstract:

Ultrasonic machining is one of the most widely used non-traditional machining processes for machining of materials that are relatively brittle, hard, and fragile such as advanced ceramics, refractories, crystals, quartz etc. Present article has been targeted at investigating the impact of different experimental conditions (power rating, cobalt content, tool material, thickness of work piece, tool geometry, and abrasive grit size) on over cut in ultrasonic drilling of WC-Co composite material. Taguchi’s L-36 orthogonal array has been employed for conducting the experiments. Significant factors have been identified using analysis of variance (ANOVA) test. The experimental results revealed that abrasive grit size and tool material are most significant factors for over cut.

Keywords: ANOVA, abrasive grit size, Taguchi, WC-Co, ultrasonic machining

Procedia PDF Downloads 398
2304 Cross Section Measurement for Formation of Metastable State of ¹¹¹ᵐCd through ¹¹¹Cd (γ, γ`) ¹¹¹ᵐCd Reaction Induced by Bremsstrahlung Generated through 6 MeV Electrons

Authors: Vishal D. Bharud, B. J. Patil, S. S. Dahiwale, V. N. Bhoraskar, S. D. Dhole

Abstract:

Photon induced average reaction cross section of ¹¹¹Cd (γ, γ`) ¹¹¹ᵐCd reaction was experimentally determined for the bremsstrahlung energy spectrum of 6 MeV by utilizing the activation and offline γ-ray spectrometric techniques. The 6 MeV electron accelerator Racetrack Microtron of Savitribai Phule Pune University, Pune was used for the experimental work. The bremsstrahlung spectrum generated by bombarding 6 MeV electrons on lead target was theoretically estimated by FLUKA code. Bremsstrahlung radiation can have energies exceeding the threshold of the particle emission, which is normally above 6 MeV. Photons of energies below the particle emission threshold undergo absorption into discrete energy levels, with possibility of exciting nuclei to excited state including metastable state. The ¹¹¹Cd (γ, γ`) ¹¹¹ᵐCd reaction cross sections were calculated at different energies of bombarding Photon by using the TALYS 1.8 computer code with a default parameter. The focus of the present work was to study the (γ,γ’) reaction for exciting ¹¹¹Cd nuclei to metastable states which have threshold energy below 3 MeV. The flux weighted average cross section was obtained from the theoretical values of TALYS 1.8 and TENDL 2017 and is found to be in good agreement with the present experimental cross section.

Keywords: bremsstrahlung, cross section, FLUKA, TALYS-1.8

Procedia PDF Downloads 172
2303 English Pashto Contact: Morphological Adaptation of Bilingual Compound Words in Pashto

Authors: Imran Ullah Imran

Abstract:

Language contact is a familiar concept in the present global world. Across the globe, languages get mixed up at different levels. Borrowing, code-switching are some of the means through which languages interact. This study examines Pashto-English contact at word and syllable levels. By recording the speech of 30 Pashto native speakers, selected via 'social network' sampling, the study located a number of Pashto-English compound words, which is a unique contact of its kind. In data analysis, tokens were categorized on the basis of their pattern and morphological structure. The study shows that Pashto-English Bilingual Compound words (BCWs) are very prevalent in the Pashto language. The study also found that the BCWs in Pashto are completely productive and have their own meanings. It also shows that the dominant pattern of hybrid words in Pashto is the conjugation of an independent English root word followed by a Pashto inflectional morpheme, which contributes to the core semantic content of the construction. The BCWs construction shows that how both the languages are closer to each other. Pashto-English contact results into bilingual compound and hybrid words, which forms a considerable number of tokens in the present-day spoken Pashto. On the basis of these findings, the study assumes that the same phenomenon may increase with the passage of time that would, in turn, result in the formation of more bilingual compound or hybrid words.

Keywords: code-mixing, bilingual compound words, pashto-english contact, hybrid words, inflectional lexical morpheme

Procedia PDF Downloads 249
2302 Fast Algorithm to Determine Initial Tsunami Wave Shape at Source

Authors: Alexander P. Vazhenin, Mikhail M. Lavrentiev, Alexey A. Romanenko, Pavel V. Tatarintsev

Abstract:

One of the problems obstructing effective tsunami modelling is the lack of information about initial wave shape at source. The existing methods; geological, sea radars, satellite images, contain an important part of uncertainty. Therefore, direct measurement of tsunami waves obtained at the deep water bottom peruse recorders is also used. In this paper we propose a new method to reconstruct the initial sea surface displacement at tsunami source by the measured signal (marigram) approximation with the help of linear combination of synthetic marigrams from the selected set of unit sources, calculated in advance. This method has demonstrated good precision and very high performance. The mathematical model and results of numerical tests are here described.

Keywords: numerical tests, orthogonal decomposition, Tsunami Initial Sea Surface Displacement

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2301 Optical and Luminescence Studies on Dy³+ Singly Doped and Dy³+/Ce³+ Co-doped Alumina Borosilicate Glasses for Photonics Device Application

Authors: M. Monisha, Sudha D. Kamath

Abstract:

We investigate the optical and photoluminescence properties from Dy³+ singly doped and Dy³+ co-doped with Ce³+alumino borosilicate glasses prepared using high temperature melt-quenching technique. The glass composition formula is 25SiO₂-(40-x-y)B2O₃-10Al₂O₃-15NaF-10ZnO-xDy₂O₃ yCe₂O₃ where, x = 0.5 mol% and y = 0, 0.1, and 0.5 mol%. The XRD study reveals the amorphous nature of both singly doped and co-doped glasses. Absorption study on Dy3+ singly doped glass shows nearly twelve absorption peaks arising from the ground level of Dy³+ ions (⁶H₁₅/₂) to various upper levels, and for Dy³+/Ce³+ co-doped glasses, few of the transitions in the visible region are suppressed. The absorption band edge is shifted towards the higher wavelength region on increasing Ce3+concentration. The decrease in indirect energy bandgap and increase in Urbach energy of the prepared glasses is observed due to codoping with Ce3+ ions. The photoluminescence studies on singly doped glass under 350 nm excitation showed three peaks at the blue (482 nm), yellow (575 nm), and red (663 nm) region. For codoped glasses, the emission peak at 403 nm is raised due to the 4d to 5f transition of Ce3+ ions. Lifetime values (ms) of co-doped glass is found to be higher than singly doped glass. Under 350 nm excitation, CIE coordinates of the co-doped glasses moved towards the bright white light region. The correlated color temperature (CCT) values were obtained in the range 4500 – 4700 K. Thus, the prepared glasses can be used for photonics device applications.

Keywords: absorption spectra, borosilicate glasses, Ce³+, Dy³+, photoluminescence

Procedia PDF Downloads 149
2300 Shape Evolution of CdSe Quantum Dots during the Synthesis in the Presence of Silver Halides

Authors: Pavel Kotin, Sergey Dotofeev, Daniil Kozlov, Alexey Garshev

Abstract:

We propose the investigation of CdSe quantum dots which were synthesized in the presence of silver halides. To understand a process of nanoparticle formation in more detail, we varied the silver halide amount in the synthesis and proposed a sampling during colloidal growth. The attempts were focused on the investigation of shape, structure and optical properties of nanoparticles. We used the colloidal method of synthesis. Cadmium oleate, tri-n-octylphosphine selenide (TOPSe) and AgHal in TOP were precursors of cadmium, selenium and silver halides correspondingly. The molar Ag/Cd ratio in synthesis was varied from 1/16 to 1/1. The sampling was basically realized in 20 sec, 5 min, and 30 min after the beginning of quantum dots nucleation. To investigate nanoparticles we used transmission electron microscopy (including high resolution one), X-ray diffraction, and optical spectroscopy. It was established that silver halides lead to obtaining tetrapods with different leg length and large ellipsoidal nanoparticles possessing an intensive near IR photoluminescence. The change of the amount of silver halide in synthesis and the selection of an optimal growth time allows controlling the shape and the share of tetrapods or ellipsoidal nanoparticles in the product. Our main attempts were focused on a detailed investigation of the quantum dots structure and shape evolution and, finally, on mechanisms of such nanoparticle formation.

Keywords: colloidal quantum dots, shape evolution, silver doping, tetrapods

Procedia PDF Downloads 290
2299 Comparative Safety Performance Evaluation of Profiled Deck Composite Slab from the Use of Slope-Intercept and Partial Shear Methods

Authors: Izian Abd. Karim, Kachalla Mohammed, Nora Farah Abd Aznieta Aziz, Law Teik Hua

Abstract:

The economic use and ease of construction of profiled deck composite slab is marred with the complex and un-economic strength verification required for the serviceability and general safety considerations. Beside these, albeit factors such as shear span length, deck geometries and mechanical frictions greatly influence the longitudinal shear strength, that determines the ultimate strength of profiled deck composite slab, and number of methods available for its determination; partial shear and slope-intercept are the two methods according to Euro-code 4 provision. However, the complexity associated with shear behavior of profiled deck composite slab, the use of these methods in determining the load carrying capacities of such slab yields different and conflicting values. This couple with the time and cost constraint associated with the strength verification is a source of concern that draws more attentions nowadays, the issue is critical. Treating some of these known shear strength influencing factors as random variables, the load carrying capacity violation of profiled deck composite slab from the use of the two-methods defined according to Euro-code 4 are determined using reliability approach, and comparatively studied. The study reveals safety values from the use of m-k method shows good standing compared with that from the partial shear method.

Keywords: composite slab, first order reliability method, longitudinal shear, partial shear connection, slope-intercept

Procedia PDF Downloads 354
2298 Investigation of Minor Actinide-Contained Thorium Fuel Impacts on CANDU-Type Reactor Neutronics Using Computational Method

Authors: S. A. H. Feghhi, Z. Gholamzadeh, Z. Alipoor, C. Tenreiro

Abstract:

Currently, thorium fuel has been especially noticed because of its proliferation resistance than long half-life alpha emitter minor actinides, breeding capability in fast and thermal neutron flux and mono-isotopic naturally abundant. In recent years, efficiency of minor actinide burning up in PWRs has been investigated. Hence, a minor actinide-contained thorium based fuel matrix can confront both proliferation resistance and nuclear waste depletion aims. In the present work, minor actinide depletion rate in a CANDU-type nuclear core modeled using MCNP code has been investigated. The obtained effects of minor actinide load as mixture of thorium fuel matrix on the core neutronics has been studiedwith comparingpresence and non-presence of minor actinide component in the fuel matrix.Depletion rate of minor actinides in the MA-contained fuel has been calculated using different power loads.According to the obtained computational data, minor actinide loading in the modeled core results in more negative reactivity coefficients. The MA-contained fuel achieves less radial peaking factor in the modeled core. The obtained computational results showed 140 kg of 464 kg initial load of minor actinide has been depleted in during a 6-year burn up in 10 MW power.

Keywords: minor actinide burning, CANDU-type reactor, MCNPX code, neutronic parameters

Procedia PDF Downloads 457
2297 Blade Runner and Slavery in the 21st Century

Authors: Bülent Diken

Abstract:

This paper looks to set Ridley Scott’s original film Blade Runner (1982) and Denis Villeneuve’s Blade Runner 2049 (2017) in order to provide an analysis of both films with respect to the new configurations of slavery in the 21st century. Both Blade Runner films present a de-politicized society that oscillates between two extremes: the spectral (the eye, optics, digital communications) and the biopolitical (the body, haptics). On the one hand, recognizing the subject only as a sign, the society of the spectacle registers, identifies, produces and reproduces the subject as a code. At the same time, though, the subject is constantly reduced to a naked body, to bare life, for biometric technologies to scan it as a biological body or body parts. Being simultaneously a pure code (word without body) and an instrument slave (body without word), the replicants are thus the paradigmatic subjects of this society. The paper focuses first on the similarity: both films depict a relationship between masters and slaves, that is, a despotic relationship. The master uses the (body of the) slave as an instrument, as an extension of his own body. Blade Runner 2019 frames the despotic relation in this classical way through its triangulation with the economy (the Tyrell Corporation) and the slave-replicants’ dissent (rejecting their reduction to mere instruments). In a counter-classical approach, in Blade Runner 2049, the focus shifts to another triangulation: despotism, economy (the Wallace Corporation) and consent (of replicants who no longer perceive themselves as slaves).

Keywords: Blade Runner, the spectacle, bio-politics, slavery, imstrumentalisation

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2296 Signal Amplification Using Graphene Oxide in Label Free Biosensor for Pathogen Detection

Authors: Agampodi Promoda Perera, Yong Shin, Mi Kyoung Park

Abstract:

The successful detection of pathogenic bacteria in blood provides important information for early detection, diagnosis and the prevention and treatment of infectious diseases. Silicon microring resonators are refractive-index-based optical biosensors that provide highly sensitive, label-free, real-time multiplexed detection of biomolecules. We demonstrate the technique of using GO (graphene oxide) to enhance the signal output of the silicon microring optical sensor. The activated carboxylic groups in GO molecules bind directly to single stranded DNA with an amino modified 5’ end. This conjugation amplifies the shift in resonant wavelength in a real-time manner. We designed a capture probe for strain Staphylococcus aureus of 21 bp and a longer complementary target sequence of 70 bp. The mismatched target sequence we used was of Streptococcus agalactiae of 70 bp. GO is added after the complementary binding of the probe and target. GO conjugates to the unbound single stranded segment of the target and increase the wavelength shift on the silicon microring resonator. Furthermore, our results show that GO could successfully differentiate between the mismatched DNA sequences from the complementary DNA sequence. Therefore, the proposed concept could effectively enhance sensitivity of pathogen detection sensors.

Keywords: label free biosensor, pathogenic bacteria, graphene oxide, diagnosis

Procedia PDF Downloads 467
2295 A Study on ZnO Nanoparticles Properties: An Integration of Rietveld Method and First-Principles Calculation

Authors: Kausar Harun, Ahmad Azmin Mohamad

Abstract:

Zinc oxide (ZnO) has been extensively used in optoelectronic devices, with recent interest as photoanode material in dye-sensitize solar cell. Numerous methods employed to experimentally synthesized ZnO, while some are theoretically-modeled. Both approaches provide information on ZnO properties, but theoretical calculation proved to be more accurate and timely effective. Thus, integration between these two methods is essential to intimately resemble the properties of synthesized ZnO. In this study, experimentally-grown ZnO nanoparticles were prepared by sol-gel storage method with zinc acetate dihydrate and methanol as precursor and solvent. A 1 M sodium hydroxide (NaOH) solution was used as stabilizer. The optimum time to produce ZnO nanoparticles were recorded as 12 hours. Phase and structural analysis showed that single phase ZnO produced with wurtzite hexagonal structure. Further work on quantitative analysis was done via Rietveld-refinement method to obtain structural and crystallite parameter such as lattice dimensions, space group, and atomic coordination. The lattice dimensions were a=b=3.2498Å and c=5.2068Å which were later used as main input in first-principles calculations. By applying density-functional theory (DFT) embedded in CASTEP computer code, the structure of synthesized ZnO was built and optimized using several exchange-correlation functionals. The generalized-gradient approximation functional with Perdew-Burke-Ernzerhof and Hubbard U corrections (GGA-PBE+U) showed the structure with lowest energy and lattice deviations. In this study, emphasize also given to the modification of valence electron energy level to overcome the underestimation in DFT calculation. Both Zn and O valance energy were fixed at Ud=8.3 eV and Up=7.3 eV, respectively. Hence, the following electronic and optical properties of synthesized ZnO were calculated based on GGA-PBE+U functional within ultrasoft-pseudopotential method. In conclusion, the incorporation of Rietveld analysis into first-principles calculation was valid as the resulting properties were comparable with those reported in literature. The time taken to evaluate certain properties via physical testing was then eliminated as the simulation could be done through computational method.

Keywords: density functional theory, first-principles, Rietveld-refinement, ZnO nanoparticles

Procedia PDF Downloads 309