Search results for: quantum enabled device

Authors: M. Khouil, N. Saber, M. Mestari

Abstract:

In this paper, a different architecture of a collision detection neural network (DCNN) is developed. This network, which has been particularly reviewed, has enabled us to solve with a new approach the problem of collision detection between two convex polyhedra in a fixed time (O (1) time). We used two types of neurons, linear and threshold logic, which simplified the actual implementation of all the networks proposed. The study of the collision detection is divided into two sections, the collision between a point and a polyhedron and then the collision between two convex polyhedra. The aim of this research is to determine through the AMAXNET network a mini maximum point in a fixed time, which allows us to detect the presence of a potential collision.

Keywords: Collision identification, fixed time, convex polyhedra, neural network, AMAXNET.

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Authors: K. Chethana, A. S. Guru Prasad, S. N. Omkar, B. Vadiraj, S. Asokan

Abstract:

This paper describes an ab-initio design, development and calibration results of an Optical Sensor Ground Reaction Force Measurement Platform (OSGRFP) for gait and geriatric studies. The developed system employs an array of FBG sensors to measure the respective ground reaction forces from all three axes (X, Y and Z), which are perpendicular to each other. The novelty of this work is two folded. One is in its uniqueness to resolve the tri axial resultant forces during the stance in to the respective pure axis loads and the other is the applicability of inherently advantageous FBG sensors which are most suitable for biomechanical instrumentation. To validate the response of the FBG sensors installed in OSGRFP and to measure the cross sensitivity of the force applied in other directions, load sensors with indicators are used. Further in this work, relevant mathematical formulations are presented for extracting respective ground reaction forces from wavelength shifts/strain of FBG sensors on the OSGRFP. The result of this device has implications in understanding the foot function, identifying issues in gait cycle and measuring discrepancies between left and right foot. The device also provides a method to quantify and compare relative postural stability of different subjects under test, which has implications in post-surgical rehabilitation, geriatrics and optimizing training protocols for sports personnel.

Keywords: Balance, stability, Gait analysis, FBG applications, optical sensor ground reaction force platform.

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Authors: Moustafa Osman Mohammed

Abstract:

This paper introduces Luhmann’s autopoietic social systems starting with the original concept of autopoiesis by biologists and scientists, including the modification of general systems based on socialized medicine. A specific type of autopoietic system is explained in the three existing groups of the ecological phenomena: interaction, social and medical sciences. This hypothesis model, nevertheless, has a nonlinear interaction with its natural environment ‘interactional cycle’ for the exchange of photon energy with molecular without any changes in topology. The external forces in the systems environment might be concomitant with the natural fluctuations’ influence (e.g. radioactive radiation, electromagnetic waves). The cantilever sensor deploys insights to the future chip processor for prevention of social metabolic systems. Thus, the circuits with resonant electric and optical properties are prototyped on board as an intra–chip inter–chip transmission for producing electromagnetic energy approximately ranges from 1.7 mA at 3.3 V to service the detection in locomotion with the least significant power losses. Nowadays, therapeutic systems are assimilated materials from embryonic stem cells to aggregate multiple functions of the vessels nature de-cellular structure for replenishment. While, the interior actuators deploy base-pair complementarity of nucleotides for the symmetric arrangement in particular bacterial nanonetworks of the sequence cycle creating double-stranded DNA strings. The DNA strands must be sequenced, assembled, and decoded in order to reconstruct the original source reliably. The design of exterior actuators have the ability in sensing different variations in the corresponding patterns regarding beat-to-beat heart rate variability (HRV) for spatial autocorrelation of molecular communication, which consists of human electromagnetic, piezoelectric, electrostatic and electrothermal energy to monitor and transfer the dynamic changes of all the cantilevers simultaneously in real-time workspace with high precision. A prototype-enabled dynamic energy sensor has been investigated in the laboratory for inclusion of nanoscale devices in the architecture with a fuzzy logic control for detection of thermal and electrostatic changes with optoelectronic devices to interpret uncertainty associated with signal interference. Ultimately, the controversial aspect of molecular frictional properties is adjusted to each other and forms its unique spatial structure modules for providing the environment mutual contribution in the investigation of mass temperature changes due to pathogenic archival architecture of clusters.

Keywords: Autopoiesis, quantum photonics, portable energy, photonic structure, photodynamic therapeutic system.

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Authors: Muhammad R Ahmed, Xu Huang, Dharmendra Sharma

Abstract:

Developments in communication technologies especially in wireless have enabled the progress of low-cost and lowpower wireless sensor networks (WSNs). The features of such WSN are holding minimal energy, weak computational capabilities, wireless communication and an open-medium nature where sensors are deployed. WSN is underpinned by application driven such as military applications, the health sector, etc. Due to the intrinsic nature of the network and application scenario, WSNs are vulnerable to many attacks externally and internally. In this paper we have focused on the types of internal attacks of WSNs based on OSI model and discussed some security requirements, characterizers and challenges of WSNs, by which to contribute to the WSN-s security research.

Keywords: Wireless sensor network, internal attacks, security, OSI model.

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Authors: D. Oshinubi, M. Rocznik, K. Dostert

Abstract:

The need for micromechanical inertial sensors is increasing in future electronic stability control (ESC) and other positioning, navigation and guidance systems. Due to the rising density of sensors in automotive and consumer devices the goal is not only to get high performance, robustness and smaller package sizes, but also to optimize the energy management of the overall sensor system. This paper presents an evaluation concept for a surface micromachined yaw rate sensor. Within this evaluation concept an energy-efficient operation of the drive mode of the yaw rate sensor is enabled. The presented system concept can be realized within a power management subsystem.

Keywords: inertial sensors, micromachined gyros, gyro sensing concepts, power management, FPGA

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Authors: A.Sankara Subramanian, G.Gurusamy, G.Selvakumar, P.Gnanasekar, A.Nagappan

Abstract:

This paper presents an algorithm based on the wavelet decomposition, for feature extraction from the ECG signal and recognition of three types of Ventricular Arrhythmias using neural networks. A set of Discrete Wavelet Transform (DWT) coefficients, which contain the maximum information about the arrhythmias, is selected from the wavelet decomposition. After that a novel clustering algorithm based on nature inspired algorithm (Ant Colony Optimization) is developed for classifying arrhythmia types. The algorithm is applied on the ECG registrations from the MIT-BIH arrhythmia and malignant ventricular arrhythmia databases. We applied Daubechies 4 wavelet in our algorithm. The wavelet decomposition enabled us to perform the task efficiently and produced reliable results.

Keywords: Daubechies 4 Wavelet, ECG, Nature inspired algorithm, Ventricular Arrhythmias, Wavelet Decomposition.

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Authors: Lucian Pîslaru-Dănescu, George-Claudiu Zărnescu, Laurențiu Constantin Lipan, Rareș-Andrei Chihaia

Abstract:

In recent years, the utilization of supercapacitors for energy storage (ES) devices that are designed for energy harvesting (EH) applications has increased substantially. The use of supercapacitors as energy storage devices in hybrid energy harvesting systems allows the miniaturization of electronic structures for energy storage. This study is concerned with the concept of energy management capacitors – supercapacitors and the new electronic structures for energy storage used for energy harvesting devices. Supercapacitors are low-voltage devices, and electronic overvoltage protection is needed for powering the source. The power management device that uses these proposed new electronic structures for energy storage is better than conventional electronic structures used for this purpose, like rechargeable batteries, supercapacitors, and hybrid systems. A hybrid energy harvesting system with energy storage management is able to simultaneously use several energy sources with recovery from the environment. The power management device uses a summing electronic block to combine the electric power obtained from piezoelectric composite plates and from a photovoltaic conversion system. Also, an overvoltage protection circuit used as a voltage detector and an improved concept of charging supercapacitors is presented. The piezoelectric composite plates are realized only by pressing two printed circuit boards together without damaging or prestressing the piezoceramic elements. The photovoltaic conversion system has the advantage that the modules are covered with glass plates with nanostructured film of ZnO with the role of anti-reflective coating and to improve the overall efficiency of the solar panels.

Keywords: Supercapacitors, energy storage, electronic overvoltage protection, energy harvesting.

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Authors: Atiqul Islam, Shamim Akhter, Tumnun E. Mursalin

Abstract:

Least Development Countries (LDC) like Bangladesh, whose 25% revenue earning is achieved from Textile export, requires producing less defective textile for minimizing production cost and time. Inspection processes done on these industries are mostly manual and time consuming. To reduce error on identifying fabric defects requires more automotive and accurate inspection process. Considering this lacking, this research implements a Textile Defect Recognizer which uses computer vision methodology with the combination of multi-layer neural networks to identify four classifications of textile defects. The recognizer, suitable for LDC countries, identifies the fabric defects within economical cost and produces less error prone inspection system in real time. In order to generate input set for the neural network, primarily the recognizer captures digital fabric images by image acquisition device and converts the RGB images into binary images by restoration process and local threshold techniques. Later, the output of the processed image, the area of the faulty portion, the number of objects of the image and the sharp factor of the image, are feed backed as an input layer to the neural network which uses back propagation algorithm to compute the weighted factors and generates the desired classifications of defects as an output.

Keywords: Computer vision, image acquisition device, machine vision, multi-layer neural networks.

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Authors: Reza Yousefian, Michael A. Kia, Mehrdad Hosseini Zadeh

Abstract:

The blood ducts must be occluded to avoid loss of blood from vessels in laparoscopic surgeries. This paper presents a locking mechanism to be used in a ligation laparoscopic procedure (LigLAP I), as an alternative solution for a stapling procedure. Currently, stapling devices are being used to occlude vessels. Using these devices may result in some problems, including injury of bile duct, taking up a great deal of space behind the vessel, and bile leak. In this new procedure, a two-layer suture occludes a vessel. A locking mechanism is also required to hold the suture. Since there is a limited space at the device tip, a Shape Memory Alloy (SMA) actuator is used in this mechanism. Suitability for cleanroom applications, small size, and silent performance are among the advantages of SMA actuators in biomedical applications. An experimental study is conducted to examine the function of the locking mechanism. To set up the experiment, a prototype of a locking mechanism is built using nitinol, which is a nickel-titanium shape memory alloy. The locking mechanism successfully locks a polymer suture for all runs of the experiment. In addition, the effects of various surface materials on the applied pulling forces are studied. Various materials are mounted at the mechanism tip to compare the maximum pulling forces applied to the suture for each material. The results show that the various surface materials on the device tip provide large differences in the applied pulling forces.

Keywords: Laparoscopic surgery, ligation process, locking mechanism, Shape Memory Alloy (SMA) actuator.

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Authors: M. Arja, G. Sauce, B. Souyri

Abstract:

Overall cost is a significant consideration in any decision-making process. Although many studies were carried out on overall cost in construction, little has treated the uncertainties of real life cycle development. On the basis of several case studies, a feedback process was performed on the historical data of studied buildings. This process enabled to identify some factors causing uncertainty during the operational period. As a result, the research proposes a new method for assessing the overall cost during a part of the building-s life cycle taking account of the building actual value, its end-of-life value and the influence of the identified life cycle uncertainty factors. The findings are a step towards a higher level of reliability in overall cost evaluation taking account of some usually unexpected uncertainty factors.

Keywords: Asset management, building life cycle uncertainty, building value, overall cost.

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Authors: R. Nootjarat, W. Chantatub, P. Chongstitvatana

Abstract:

This research attempts to explore gaps in Information Systems (IS) and innovation literatures by developing a model of Information Technology (IT) capability in enabling innovation. The research was conducted by using semi-structured interview with six innovators in business consulting, financial, healthcare and academic organizations. The interview results suggest four elements of ITenabled innovation capability which are information (ability to capture ideas and knowledge), connectivity (ability to bridge geographical boundary and mobilize human resources), communication (ability to attain and engage relationships between human resources) and transformation (ability to change the functions and process integrations) in defining IT-enabled innovation platform. The results also suggests innovators- roles and IT capability.

Keywords: Innovation Platform, IT Capability, Innovators, Innovation Delivery

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Authors: Wei-Chih Su, Kuan-Peng Chen, Ming-Chung Tsai, Zheng-Yao Su

Abstract:

A new decomposition form is introduced in this report to establish a criterion for the bi-partite separability of Bell diagonal states. A such criterion takes a quadratic inequality of the coefficients of a given Bell diagonal states and can be derived via a simple algorithmic calculation of its invariants. In addition, the criterion can be extended to a quantum system of higher dimension.

Keywords: decomposition, bipartite separability, Bell diagonal states.

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Authors: Catherine A. Todd, Fazel Naghdy

Abstract:

In this work a surgical simulator is produced which enables a training otologist to conduct a virtual, real-time prosthetic insertion. The simulator provides the Ear, Nose and Throat surgeon with real-time visual and haptic responses during virtual cochlear implantation into a 3D model of the human Scala Tympani (ST). The parametric model is derived from measured data as published in the literature and accounts for human morphological variance, such as differences in cochlear shape, enabling patient-specific pre- operative assessment. Haptic modeling techniques use real physical data and insertion force measurements, to develop a force model which mimics the physical behavior of an implant as it collides with the ST walls during an insertion. Output force profiles are acquired from the insertion studies conducted in the work, to validate the haptic model. The simulator provides the user with real-time, quantitative insertion force information and associated electrode position as user inserts the virtual implant into the ST model. The information provided by this study may also be of use to implant manufacturers for design enhancements as well as for training specialists in optimal force administration, using the simulator. The paper reports on the methods for anatomical modeling and haptic algorithm development, with focus on simulator design, development, optimization and validation. The techniques may be transferrable to other medical applications that involve prosthetic device insertions where user vision is obstructed.

Keywords: Haptic modeling, medical device insertion, real-time visualization of prosthetic implantation, surgical simulation.

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Authors: Bekim Fetaji, Majlinda Fetaji, Mirlinda Ebibi

Abstract:

The objective of the research was focused on the design, development and evaluation of a sustainable web based network system to be used as an interoperable environment for University process workflow and document management. In this manner the most of the process workflows in Universities can be entirely realized electronically and promote integrated University. Definition of the most used University process workflows enabled creating electronic workflows and their execution on standard workflow execution engines. Definition or reengineering of workflows provided increased work efficiency and helped in having standardized process through different faculties. The concept and the process definition as well as the solution applied as Case study are evaluated and findings are reported.

Keywords: design process workflows, workflow and documentmanagement, Business Process, software engineering

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Authors: Bhatti A., Nahavandi S., Hossny M.

Abstract:

Current advancements in nanotechnology are dependent on the capabilities that can enable nano-scientists to extend their eyes and hands into the nano-world. For this purpose, a haptics (devices capable of recreating tactile or force sensations) based system for AFM (Atomic Force Microscope) is proposed. The system enables the nano-scientists to touch and feel the sample surfaces, viewed through AFM, in order to provide them with better understanding of the physical properties of the surface, such as roughness, stiffness and shape of molecular architecture. At this stage, the proposed work uses of ine images produced using AFM and perform image analysis to create virtual surfaces suitable for haptics force analysis. The research work is in the process of extension from of ine to online process where interaction will be done directly on the material surface for realistic analysis.

Keywords: Haptics, AFM, force feedback, image analysis.

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Authors: Supranee Wattanasin

Abstract:

The purpose of this research was to enhance student’s media literacy. The process was divided into 4 periods: the first phase was to hold the meeting for 100 representatives from various institutions in Thailand; the second phase allowed them to design activities to be used in their institutions; the third implemented activities to reach other target groups; and the last phase was to summarize results. It was found that the participants had clear understanding on media literacy. They knew well about the media. In other words, they knew the difference between creative media and bad ones. Students could use analytical process when searching for information. Thus, the project enabled the students to use analytical thinking skills in designing new activities. Therefore, they could creatively integrate Thai folk song with short movies and cartoons. To increase students’ media literacy, there should be chances for them to gain first-hand experience.

Keywords: Management, development, media literacy, Thai students.

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Authors: J. Rizk, Y. Chaiko

Abstract:

This paper shows the potential system benefits of simple tracking solar system using a stepper motor and light sensor. This method is increasing power collection efficiency by developing a device that tracks the sun to keep the panel at a right angle to its rays. A solar tracking system is designed, implemented and experimentally tested. The design details and the experimental results are shown.

Keywords: Renewable Energy, Power Optimization.

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Authors: M. Adamski, J. Cwiklak

Abstract:

The contemporary battlefield creates a demand for more costly and highly advanced munitions. Training personnel responsible for operations as well as immediate execution of combat tasks which engage real asset is unrealistic and economically not feasible. Owing to a wide array of exploited simulators and various types of imitators, it is possible to reduce the costs. One of the effective elements of training, which can be applied in the training of all service branches, is imitator of aerial targets. This research serves as an introduction to the commencement of design analysis over a real aerial target imitator. Within the project, the basic aerodynamic calculations were made, which enabled to determine its geometry, design layout, performance as well as mass balance of individual components. The conducted calculations of the parameters of flight characteristics come closer to the real performance of such Unmanned Aerial Vehicles.

Keywords: Aerial target, aerodynamics, imitator, performance.

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Authors: Mohammed Meziani, Pierre-Louis Cayrel

Abstract:

In this paper we propose two first non-generic constructions of multisignature scheme based on coding theory. The first system make use of the CFS signature scheme and is secure in random oracle while the second scheme is based on the KKS construction and is a few times. The security of our construction relies on a difficult problems in coding theory: The Syndrome Decoding problem which has been proved NP-complete [4].

Keywords: Post-quantum cryptography, Coding-based cryptography, Digital signature, Multisignature scheme.

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Authors: B. B. Weng, Z. Fang, Z. X. Chen, X. P. Wang, G. Q. Lo, D. L. Kwong

Abstract:

Resistive Random Access Memory (RRAM) had received great amount of attention from various research efforts in recent years, owing to its promising performance as a next generation memory device. In this paper, samples based on TiN/HfO_x/Pt stack were prepared and its electrical switching behaviors were characterized and discussed in brief.

Keywords: HfOx, resistive switching, RRAM.

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Authors: Bhatti A., Nahavandi S., Hossny M.

Abstract:

Current advancements in nanotechnology are dependent on the capabilities that can enable nano-scientists to extend their eyes and hands into the nano-world. For this purpose, a haptics (devices capable of recreating tactile or force sensations) based system for AFM (Atomic Force Microscope) is proposed. The system enables the nano-scientists to touch and feel the sample surfaces, viewed through AFM, in order to provide them with better understanding of the physical properties of the surface, such as roughness, stiffness and shape of molecular architecture. At this stage, the proposed work uses of ine images produced using AFM and perform image analysis to create virtual surfaces suitable for haptics force analysis. The research work is in the process of extension from of ine to online process where interaction will be done directly on the material surface for realistic analysis.

Keywords: Haptics, AFM, force feedback, image analysis.

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Authors: Abdullah Abu-Tineh, Carol Murphy, Nigel Calder, Nasser Mansour

Abstract:

This paper reports on an aspect of e-learning in developing inquiry-based learning (IBL). We present data on the views of teachers and students in Qatar following a professional development programme intended to help teachers implement IBL in their science and mathematics classrooms. Key to this programme was the use of WebQuests. Views of the teachers and students suggested that WebQuests helped students to develop technical skills, work collaboratively and become independent in their learning. The use of WebQuests also enabled a combination of digital and non-digital tools that helped students connect ideas and enhance their understanding of topics.

Keywords: Digital technology, inquiry-based learning, mathematics and science education, professional development.

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Authors: Ali Safari, Pejman Hosseiniun, Iman Rahbari, Mohamad Reza Kalhor

Abstract:

The semiconductor industry is placing an increased emphasis on emerging materials and devices that may provide improved performance, or provide novel functionality for devices. Recently, graphene, as a true two-dimensional carbon material, has shown fascinating applications in electronics. In this paper detailed discussions are introduced for possible applications of grapheme Transistor in RF and digital devices.

Keywords: Graphene, GFET, RF, Digital.

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Authors: Andrzej Przemyslaw Kusnierczak

Abstract:

Advances in technology (e.g. the internet, telecommunication) and political changes (fewer trade barriers and an enlarged European Union, ASEAN, NAFTA and other organizations) have led to develop international competition and expand into new markets. Companies in Thailand, Asia and around the globe are increasingly being pressured on price and for faster time to enter the market. At the same time, new markets are appearing and many companies are looking for changes and shifts in their domestic markets. These factors have enabled the rapid growth for companies and globalizing many different business activities during the product development process from research and development (R&D) to production. This research will show and clarify methods how to develop global product. Also, it will show how important is a global product impact into Thai Economy development.

Keywords: Development, global, management, product.

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Authors: Miguel Amado, João Freitas, Eveline Rodrigues, Rosario Ribeiro

Abstract:

The United Nations has defined the inclusive community as “…promoting growth with equity, a place where everyone, regardless of their economic means, gender, race, ethnicity or religion, is enabled and empowered to fully participate in the social, economic and political opportunities that cities have to offer”. In this paper, the concept of walkability is viewed as an important tool towards the planning and future development of more inclusive communities. Walking is the cheapest and cleanest mode of travel available to all providing large benefits to both health and local economic development. To demonstrate the validity of this strategy a set of parameters, selected from existing research, were measure, compared and discussed in the existing and proposed scenarios of a Portuguese small town using GIS software.

Keywords: GIS, Inclusiveness, Planning, Sustainability, Walkability.

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Authors: Pierre-Louis Cayrel, Sidi Mohamed El Yousfi Alaoui

Abstract:

In this paper, we propose a dual version of the first threshold ring signature scheme based on error-correcting code proposed by Aguilar et. al in [1]. Our scheme uses an improvement of Véron zero-knowledge identification scheme, which provide smaller public and private key sizes and better computation complexity than the Stern one. This scheme is secure in the random oracle model.

Keywords: Stern algorithm, Véron algorithm, threshold ring signature, post-quantum cryptography.

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Authors: Shafiq ur Rehman, Jane-Lisa Coughlan

Abstract:

Mobiles are considered to be the most frequently used electronic items in world after electricity. It is probably the only device that can be used by any gender with no age limits depending on its functionality. This paper present the interactive interface of Mobile and particularly aiming the use of advanced phones which are also called smart phones. With the changes in the trend where users are now moving from ordinary mobiles to the one with touch screens and facilities such as WiFi and internet browsing.

Keywords: interface design, functionality, intelligent system

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Authors: Kero T., Söderberg R., Andersson M., Lindkvist L.

Abstract:

The introduction of mass-customization has enabled new ways to treat patients within medicine. However, the introduction of industrialized treatments has also meant new obstacles. The purpose of this study was to introduce and theoretically test a method for improving dental crown fit. The optimization method allocates support points in order to check the final variation for dental crowns. Three different types of geometries were tested and compared. The three geometries were also divided into three sub-geometries: Current method, Optimized method and Feasible method. The Optimized method, using the whole surface for support points, provided the best results. The results support the objective of the study. It also seems that the support optimization method can dramatically improve the robustness of dental crown treatments.

Keywords: Bio-medicine, Dentistry, Mass-customization, Optimization and Robust design.

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Authors: J. K Adedeji, O. H Olowomofe, C. O Alo, S.T Ijatuyi

Abstract:

The issue of high blood sugar level, the effects of which might end up as diabetes mellitus, is now becoming a rampant cardiovascular disorder in our community. In recent times, a lack of awareness among most people makes this disease a silent killer. The situation calls for urgency, hence the need to design a device that serves as a monitoring tool such as a wrist watch to give an alert of the danger a head of time to those living with high blood glucose, as well as to introduce a mechanism for checks and balances. The neural network architecture assumed 8-15-10 configuration with eight neurons at the input stage including a bias, 15 neurons at the hidden layer at the processing stage, and 10 neurons at the output stage indicating likely symptoms cases. The inputs are formed using the exclusive OR (XOR), with the expectation of getting an XOR output as the threshold value for diabetic symptom cases. The neural algorithm is coded in Java language with 1000 epoch runs to bring the errors into the barest minimum. The internal circuitry of the device comprises the compatible hardware requirement that matches the nature of each of the input neurons. The light emitting diodes (LED) of red, green, and yellow colors are used as the output for the neural network to show pattern recognition for severe cases, pre-hypertensive cases and normal without the traces of diabetes mellitus. The research concluded that neural network is an efficient Accu-Chek design tool for the proper monitoring of high glucose levels than the conventional methods of carrying out blood test.

Keywords: Accu-Chek, diabetes, neural network, pattern recognition.

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Authors: Sanaz Gharehzadeh Shirazi, Subira Gharehzadeh Shirazi, Fariba Jafari

Abstract:

The present article comprises a theoretical study of structures Performat radical (HCO3) with H2O molecule. We make use of ab initio quantum chemical methods. Unrestricted Hartee-Fock (UHF) with the basis set6-311+g(2df,2p) and density functional theory (B3LYP) with the basis set 6-311+g(2df,2p) and also we done atoms in molecules (AIM) theory for them. We have found four stable geometries the PerformatRadical(HCO3) with H2O.

Keywords: Hydrogen binding, Performat Radical, Water, Gaussian, Atoms in molecules (AIM) theory

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