Search results for: ultra structure

Authors: K. Tejasri, K. Suvarna Vani, S. Prathyusha, S. Ramya

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Proteins are chained sequences of amino acids which are brought together by the peptide bonds. Many varying formations of the chains are possible due to multiple combinations of amino acids and rotation in numerous positions along the chain. Protein structure prediction is one of the crucial goals worked towards by the members of bioinformatics and theoretical chemistry backgrounds. Among the four different structure levels in proteins, we emphasize mainly the secondary level structure. Generally, the secondary protein basically comprises alpha-helix and beta-sheets. Multi-class classification problem of data with disparity is truly a challenge to overcome and has to be addressed for the beta strands. Imbalanced data distribution constitutes a couple of the classes of data having very limited training samples collated with other classes. The secondary structure data is extracted from the protein primary sequence, and the beta-strands are predicted using suitable machine learning algorithms.

Keywords: proteins, secondary structure elements, beta-sheets, beta-strands, alpha-helices, machine learning algorithms

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Authors: Jun Su Park, Byung Kwan Oh, Jin Woo Hwang, Yousok Kim, Hyo Seon Park

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For the structural safety, the maximum stress calculated from the stress distribution of a structure is widely used. The stress distribution can be estimated by deformed shape of the structure obtained from measurement. Although the estimation of stress is strongly affected by the location and number of sensing points, most studies have conducted the stress estimation without reasonable basis on sensing plan such as the location and number of sensors. In this paper, an optimal sensing technique for estimating the stress distribution is proposed. This technique proposes the optimal location and number of sensing points for a 2-D frame structure while minimizing the error of stress distribution between analytical model and estimation by cubic smoothing splines using genetic algorithm. To verify the proposed method, the optimal sensor measurement technique is applied to simulation tests on 2-D steel frame structure. The simulation tests are performed under various loading scenarios. Through those tests, the optimal sensing plan for the structure is suggested and verified.

Keywords: genetic algorithm, optimal sensing, optimizing sensor placements, steel frame structure

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Authors: Moon Moon Devi, Ran Budnik

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The current large area cosmic ray detector surface arrays typically measure only the net flux and arrival-time of the charged particles produced in an extensive air shower (EAS). Measurement of the individual charged particles at a surface array will provide additional distinguishing parameters to identify the primary and to map the very high energy interactions in the upper layers of the atmosphere. In turn, these may probe anomalies in QCD interactions at energies beyond the reach of current accelerators. The recent attempts of studying the individual muon tracks are limited in their expandability to larger arrays and can only probe primary particles with energy up to about 10^15.5 eV. New developments in detector technology allow for a realistic cost of large area detectors, however with limitations on energy resolutions, directional information, and dynamic range. In this study, we perform a simulation study using CORSIKA to combine the energy spectrum and lateral spread of the muons with the longitudinal depth (Xmax) of an EAS initiated by a primary at ultra high energies (10¹⁶ – 10¹⁹) eV. Using proton and iron as the shower primaries, we show that the muon observables and Xmax together can be used to distinguish the primary. This study can be used to design a future detector for the surface array, which will be able to enhance our knowledge of primaries and QCD interactions.

Keywords: ultra high energy extensive air shower, muon tracking, air shower primaries, QCD interactions

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Authors: Sadia Rafiq, Md. Ashab Siddique Zaki, Ananya Roy

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Mountain cycling is a type of off-road bicycle racing that typically takes place on rocky, arid, or other challenging terrains on specially-made mountain cycles. Professional cyclists race while attempting to stay on their bikes in a variety of locales across the world. For safety measures in mountain cycling, as there we have a high chance of injury in case of tire puncture, it’s a preferable way to use an airless tire instead of a pneumatic tire. As airless tire does not tend to go flat, it needs to be replaced less frequently. The airless tire replaces the pneumatic tire, wheel, and tire system with a single unit. It consists of a stiff hub connected to a shear band by flexible, pliable spokes, which is made of poly-composite and a tread band, all of which work together as a single unit to replace all of the components of a normal radial tire. In this paper, an analysis of airless tires in the mountain cycle is shown along with structure and material study. We will be taking the Honeycomb and Diamond Structure of spokes to compare the deformation in both cases and choose our preferable structure. As we know, the tread and spokes deform with the surface roughness and impact. So, the tire tread thickness and the design of spokes can control how much the tire can distort. Through the simulation, we can come to the conclusion that the diamond structure deforms less than the honeycomb structure. So, the diamond structure is more preferable.

Keywords: airless tire, diamond structure, honeycomb structure, deformation

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Authors: Linnan Zhang

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Linguists, as well as psychologists, have shown great interests in implicit causality in reference processing. However, most frequently-used approaches to this issue are psychological experiments (such as eye tracking or self-paced reading, etc.). This research is a corpus-based one and is assisted with statistical tool – software R. The main focus of the present study is about the competition between verb-based implicit causality and theme structure’s influence on anaphora bias in Mandarin Chinese sentences. In Accessibility Theory, it is believed that salience, which is also known as accessibility, and relevance are two important factors in reference processing. Theme structure, which is a special syntactic structure in Chinese, determines the salience of an antecedent on the syntactic level while verb-based implicit causality is a key factor to the relevance between antecedent and anaphora. Therefore, it is a study about anaphora, combining psychology with linguistics. With analysis of the sentences from corpus as well as the statistical analysis of Multinomial Logistic Regression, major findings of the present study are as follows: 1. When the sentence is stated in a ‘cause-effect’ structure, the theme structure will always be the antecedent no matter forward biased verbs or backward biased verbs co-occur; in non-theme structure, the anaphora bias will tend to be the opposite of the verb bias; 2. When the sentence is stated in a ‘effect-cause’ structure, theme structure will not always be the antecedent and the influence of verb-based implicit causality will outweigh that of theme structure; moreover, the anaphora bias will be the same with the bias of verbs. All the results indicate that implicit causality functions conditionally and the noun in theme structure will not be the high-salience antecedent under any circumstances.

Keywords: accessibility theory, anaphora, theme strcture, verb-based implicit causality

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Authors: Haifeng Zhou, Tsungyang Liow, Xiaoguang Tu, Eujin Lim, Chao Li, Junfeng Song, Xianshu Luo, Ying Huang, Lianxi Jia, Lianwee Luo, Kim Dowon, Qing Fang, Mingbin Yu, Guoqiang Lo

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Several Germanium photodetectors (PD) built on silicon micro-disks are fabricated on the standard Si photonics multiple project wafers (MPW) and demonstrated to exhibit very low dark current, satisfactory operation bandwidth and moderate responsivity. Among them, a vertical p-i-n Ge PD based on a 2.0 µm-radius micro-disk has a dark current of as low as 35 nA, compared to a conventional PD current of 1 µA with an area of 100 µm2. The operation bandwidth is around 15 GHz at a reverse bias of 1V. The responsivity is about 0.6 A/W. Microdisk is a striking planar structure in integrated optics to enhance light-matter interaction and construct various photonics devices. The disk geometries feature in strongly and circularly confining light into an ultra-small volume in the form of whispering gallery modes. A laser may benefit from a microdisk in which a single mode overlaps the gain materials both spatially and spectrally. Compared to microrings, micro-disk removes the inner boundaries to enable even better compactness, which also makes it very suitable for some scenarios that electrical connections are needed. For example, an ultra-low power (≈ fJ) athermal Si modulator has been demonstrated with a bit rate of 25Gbit/s by confining both photons and electrically-driven carriers into a microscale volume.In this work, we study Si-based PDs with Ge selectively grown on a microdisk with the radius of a few microns. The unique feature of using microdisk for Ge photodetector is that mode selection is not important. In the applications of laser or other passive optical components, microdisk must be designed very carefully to excite the fundamental mode in a microdisk in that essentially the microdisk usually supports many higher order modes in the radial directions. However, for detector applications, this is not an issue because the local light absorption is mode insensitive. Light power carried by all modes are expected to be converted into photo-current. Another benefit of using microdisk is that the power circulation inside avoids any introduction of the reflector. A complete simulation model with all involved materials taken into account is established to study the promise of microdisk structures for photodetector by using finite difference time domain (FDTD) method. By viewing from the current preliminary data, the directions to further improve the device performance are also discussed.

Keywords: integrated optical devices, silicon photonics, micro-resonator, photodetectors

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Authors: Nadia A. Wassif, Bassem S. Nabawy

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This paper gives an account of the petrophysical characteristics and the petrographical descriptions of Tertiary vesicular and amygdaloidal olivine basalt samples from Wadi Wizr in the central Eastern Desert of Egypt. The petrographical studies indicated that the studied vesicular basalt is rich in calcic-plagioclase, augite and olivine in addition to numerous amounts of fine opaque minerals and vesicules filled with carbonate and quartz amygdales. The degree of oxidation and alteration of magnetite and ilmenite were discussed in details. Petrophysically, the studied samples can be grouped into two main groups; the first group of samples is amygdaloidal basalt as the second group is vesicular. The vesicular group (the permeable one) is characterized by fair to very good porosity ‘Φ’, good to very good permeability ‘k’, very low true formation factor ‘F’ and micro to ultra micropores. On the other hand, the amygdaloidal basalt group (impermeable group) is characterized by very low storage capacity properties, fair porosity, negligible permeability, medium to high true formation factor and ultra micorpores. It has been found that; the petrophysical behavior is strongly dependent on the degree of oxidation and alteration; and in particular on the rate of cooling and oxidation of the ore minerals which caused filling in the primarily produced vesicules by low temperature secondary minerals.

Keywords: vesicular, amygdaloidal, basalt, petrophysics, Egypt

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Authors: Kamélia Bouderbala, Hichem Nouira, Etienne Videcoq, Manuel Girault, Daniel Petit

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Thermal drifts caused by the power dissipated by the mechanical guiding systems constitute the main limit to enhance the accuracy of an ultra-high precision cylindricity measuring machine. For this reason, a high precision compact prototype has been designed to simulate the behaviour of the instrument. It ensures in situ calibration of four capacitive displacement probes by comparison with four laser interferometers. The set-up includes three heating wires for simulating the powers dissipated by the mechanical guiding systems, four additional heating wires located between each laser interferometer head and its respective holder, 19 Platinum resistance thermometers (Pt100) to observe the temperature evolution inside the set-up and four Pt100 sensors to monitor the ambient temperature. Both a Reduced Model (RM), based on the Modal Identification Method (MIM) was developed and optimized by comparison with the experimental results. Thereafter, time dependent tests were performed under several conditions to measure the temperature variation at 19 fixed positions in the system and compared to the calculated RM results. The RM results show good agreement with experiment and reproduce as well the temperature variations, revealing the importance of the RM proposed for the evaluation of the thermal behaviour of the system.

Keywords: modal identification method (MIM), thermal behavior and drift, dimensional metrology, measurement

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Authors: Lukas Munster, Pavel Bazant, Ivo Kuritka

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Zinc oxide sub-micro particles and metallic silver nano particles (Ag/ZnO) were deposited on micro crystalline cellulose surface by a fast, simple and environmentally friendly one-pot microwave assisted solvo thermal synthesis in an open vessel system equipped with an external reflux cooler. In order to increase the interaction between the surface of cellulose and the precipitated Ag/ZnO particles, oxidized form of cellulose (cellulose dialdehyde, DAC) prepared by periodate oxidation of micro crystalline cellulose was added to the reaction mixture of Ag/ZnO particle precursors and untreated micro crystalline cellulose. The structure and morphology of prepared hybrid powder materials were analysed by X-ray diffraction (XRD), energy dispersive analysis (EDX), scanning electron microscopy (SEM) and nitrogen absorption method (BET). Microscopic analysis of the prepared materials treated by ultra-sonication showed that Ag/ZnO particles deposited on the cellulose/DAC sample exhibit increased adhesion to the surface of the cellulose substrate which can be explained by the DAC adhesive effect in comparison with the material prepared without DAC addition.

Keywords: microcrystalline cellulose, microwave synthesis, silver nanoparticles, zinc oxide sub-microparticles, cellulose dialdehyde

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Authors: Nikhil Gopalkrishnan, Praveen Bhaskaran, Aditya Bhargava, Gyandeep Bhumarkar

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The present paper is an attempt to perform various Non-Destructive Tests on concrete structure as NDT is gaining a wide importance in the branch of civil engineering these days. Various tests that are performed under NDT not only enable us to determine the strength of concrete structure, but also provide us in-hand information regarding the durability, in-situ properties of the concrete structure. Keeping these points in our mind, we have focused our views on performing a case study to show the comparison between the NDT test results performed on a particular concrete structure and another structure at the same site which is subjected to a continuous fire of say 48-72 hours. The mix design and concrete grade of both the structures were same before the one was affected by fire. The variations in the compressive strength, concrete quality and in-situ properties of the two structures have been discussed in this paper. NDT tests namely Ultrasonic Pulse Velocity Test, Rebound Hammer Test, Core-Cutter Test was performed at both the sites. The main objective of this research is to analyze the variations in the strength and quality of the concrete structure which is subjected to a high temperature fire and the one which isn’t exposed to it.

Keywords: core-cutter test, non-destructive test, rebound hammer test, ultrasonic pulse velocity test

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Authors: Alexander Hudson, Shaogang Gong

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Structure determination is key to understanding protein function at a molecular level. Whilst significant advances have been made in predicting structure and function from amino acid sequence, researchers must still rely on expensive, time-consuming analytical methods to visualise detailed protein conformation. In this study, we demonstrate that it is possible to make accurate (≥80%) predictions of protein class and architecture from structures determined at low (>3A) resolution, using a deep convolutional neural network trained on high-resolution (≤3A) structures represented as 2D matrices. Thus, we provide proof of concept for high-speed, low-cost protein structure classification at low resolution, and a basis for extension to prediction of function. We investigate the impact of the input representation on classification performance, showing that side-chain information may not be necessary for fine-grained structure predictions. Finally, we confirm that high resolution, low-resolution and NMR-determined structures inhabit a common feature space, and thus provide a theoretical foundation for boosting with single-image super-resolution.

Keywords: transfer learning, protein distance maps, protein structure classification, neural networks

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Authors: Hamid Nikzad, Shinta Yoshitomi

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In this paper, nonlinear static pushover analysis is performed on 15 storied RC building structure with a shear wall to evaluate the seismic performance of the building. Section sizes of the members are obtained based on structural optimization method utilizing MATLAB frame optimizer, then the structure is simulated and designed in ETABS program conforming ACI 318-14 design code. The pushover curve has been generated by pushing the top node of the structure to the limited target displacement. Members failure due to the formation of plastic hinges, considering shear wall-frame structure was observed and the result of this study is presented based on current regulation of FEMA356, ASCE7-10, and ACI 318-14 design criteria

Keywords: structural optimization, linear static analysis, ETABS, MATLAB, RC moment frame, RC shear wall structures

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Authors: Azadeh Shahbazi

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This study tries to find out the determinants of capital structure in hotel industry in 7 important hotel chains in USA within the period of 12 years of 2000 to 2012. The study is used a panel pooled regression to realize the relation among different variables. Results show that the variables which could make changes in the capital structure of firms are Non-Debt Tax Shield and Tangibility.

Keywords: capital structure, service industry, hospitality, finance

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Authors: Behnoush Dousti, Ye Choi, Gil S. Lee

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Supercapacitors which are also known as ultra supercapacitors play a significant role in development of energy storage devices owing to their high power density and rate capability. Nobel research has been conducted on micro scale energy storage systems currently to address the demand for smaller wearable technology and portable devices. Improving the performance of these microsupercapacitors have been always a challenge. Here, we demonstrate a facile fabrication of a microsupercapacitor (MSC) with interdigitated electrodes using novel structure of carbon nanotube sheets which are spun directly from as-grown carbon nanotube forests. Stability and performance of the device was tested using an aqueous PVA-H3PO4 gel electrolyte that also offers desirable electrochemical capacitive properties. High Coulombic efficiency around 100%, great rate capability and excellent capacitance retention over 15,000 cycles were obtained. Capacitive performance greatly improved with surface modification with acid and nitrogen doping of the CNT sheets. The high power density and stable cycling performance make this microsupercapacitor a suitable candidate for verity of energy storage application.

Keywords: carbon nanotube sheet, energy storage, solid state electrolyte, supercapacitor

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Authors: Faride Hashemiannejad, Shima Oloomi

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Imagination is one of the important elements of creative thinking which as a skill needs attention by the educational system. Although most students learn reading, writing, and arithmetic skills well, they lack high level thinking skills like creative thinking. Therefore, in the information age and in the beginning of entry to knowledge-based society, the educational system needs to think over its goals and mission, and concentrate on creativity-based curriculum. From among curriculum elements-goals, content, method and evaluation “method” is a major domain whose reform can pave the way for fostering imagination and creativity. The purpose of this study was examining the relationship between creativity development and curriculum. Research questions were: (1) is there a relationship between the cognitive-emotional structure of the classroom and creativity development? (2) Is there a relationship between the environmental-social structure of the classroom and creativity development? (3) Is there a relationship between the thinking structure of the classroom and creativity development? (4) Is there a relationship between the physical structure of the classroom and creativity development? (5) Is there a relationship between the instructional structure of the classroom and creativity development? Method: This research is a applied research and the research method is Correlational research. Participants: The total number of participants in this study included 894 students from High school through 11th grade from seven schools of seven zones in Mashad city. Sampling Plan: Sampling was selected based on Random Multi State. Measurement: The dependent measure in this study was: (a) the Test of Creative Thinking, (b) The researcher-made questionnaire includes five fragments, cognitive, emotional structure, environmental social structure, thinking structure, physical structure, and instructional structure. The Results Show: There was significant relationship between the cognitive-emotional structure of the classroom and student’s creativity development (sig=0.139). There was significant relationship between the environmental-social structure of the classroom and student’s creativity development (sig=0.006). There was significant relationship between the thinking structure of the classroom and student’s creativity development (sig=0.004). There was not significant relationship between the physical structure of the classroom and student’s creativity development (sig=0.215). There was significant relationship between the instructional structure of the classroom and student’s creativity development (sig=0.003). These findings denote if students feel secure, calm and confident, they can experience creative learning. Also the quality of coping with students’ questions, imaginations and risks can influence on their creativity development.

Keywords: imagination, creativity, curriculum, bioinformatics, biomedicine

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Authors: Rajeev Ravindran, Amit K. Jaiswal

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Lignocellulose is the largest reservoir of inexpensive, renewable source of carbon. It is composed of lignin, cellulose and hemicellulose. Cellulose and hemicellulose is composed of reducing sugars glucose, xylose and several other monosaccharides which can be metabolised by microorganisms to produce several value added products such as biofuels, enzymes, aminoacids etc. Enzymatic treatment of lignocellulose leads to the release of monosaccharides such as glucose and xylose. However, factors such as the presence of lignin, crystalline cellulose, acetyl groups, pectin etc. contributes to recalcitrance restricting the effective enzymatic hydrolysis of cellulose and hemicellulose. In order to overcome these problems, pre-treatment of lignocellulose is generally carried out which essentially facilitate better degradation of lignocellulose. A range of pre-treatment strategy is commonly employed based on its mode of action viz. physical, chemical, biological and physico-chemical. However, existing pretreatment strategies result in lower sugar yield and formation of inhibitory compounds. In order to overcome these problems, we proposes a novel pre-treatment, which utilises the superior oxidising capacity of alkaline potassium permanganate assisted by ultra-sonication to break the covalent bonds in spent coffee waste to remove recalcitrant compounds such as lignin. The pre-treatment was conducted for 30 minutes using 2% (w/v) potassium permanganate at room temperature with solid to liquid ratio of 1:10. The pre-treated spent coffee waste (SCW) was subjected to enzymatic hydrolysis using enzymes cellulase and hemicellulase. Shake flask experiments were conducted with a working volume of 50mL buffer containing 1% substrate. The results showed that the novel pre-treatment strategy yielded 7 g/L of reducing sugar as compared to 3.71 g/L obtained from biomass that had undergone dilute acid hydrolysis after 24 hours. From the results obtained it is fairly certain that ultrasonication assists the oxidation of recalcitrant components in lignocellulose by potassium permanganate. Enzyme hydrolysis studies suggest that ultrasound assisted alkaline potassium permanganate pre-treatment is far superior over treatment by dilute acid. Furthermore, SEM, XRD and FTIR were carried out to analyse the effect of the new pre-treatment strategy on structure and crystallinity of pre-treated spent coffee wastes. This novel one-step pre-treatment strategy was implemented under mild conditions and exhibited high efficiency in the enzymatic hydrolysis of spent coffee waste. Further study and scale up is in progress in order to realise future industrial applications.

Keywords: spent coffee waste, alkaline potassium permanganate, ultra-sonication, physical characterisation

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Authors: Ren Zuo Wang

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In this paper, in order to investigate the behavior of the wood structure, the non-linearity of wood material model in LS-DYNA is adopted. It is difficult and less efficient to conduct the experiment of the ancient wood structure, hence LS-DYNA software can be used to simulate nonlinear responses of ancient wood structure. In LS-DYNA software, there is material model called *MAT_WOOD or *MAT_143. This model is to simulate a single-element response of the wood subjected to tension and compression under the parallel and the perpendicular material directions. Comparing with the exact solution and numerical simulations results using LS-DYNA, it demonstrates the accuracy and the efficiency of the proposed simulation method.

Keywords: LS-DYNA, wood structure, single-element simulations, MAT_143

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Authors: Farzan Gity, Lida Ansari, Ian M. Povey, Roger E. Nagle, James C. Greer

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Titanium nitride (TiN) films have been widely used in variety of fields, due to its unique electrical, chemical, physical and mechanical properties, including low electrical resistivity, chemical stability, and high thermal conductivity. In microelectronic devices, thin continuous TiN films are commonly used as diffusion barrier and metal gate material. However, as the film thickness decreases below a few nanometers, electrical properties of the film alter considerably. In this study, the physical and electrical characteristics of 1.5nm to 22nm thin films deposited by Plasma-Enhanced Atomic Layer Deposition (PE-ALD) using Tetrakis(dimethylamino)titanium(IV), (TDMAT) chemistry and Ar/N2 plasma on 80nm SiO2 capped in-situ by 2nm Al2O3 are investigated. ALD technique allows uniformly-thick films at monolayer level in a highly controlled manner. The chemistry incorporates low level of oxygen into the TiN films forming titanium oxynitride (TiON). Thickness of the films is characterized by Transmission Electron Microscopy (TEM) which confirms the uniformity of the films. Surface morphology of the films is investigated by Atomic Force Microscopy (AFM) indicating sub-nanometer surface roughness. Hall measurements are performed to determine the parameters such as carrier mobility, type and concentration, as well as resistivity. The >5nm-thick films exhibit metallic behavior; however, we have observed that thin film resistivity is modulated significantly by film thickness such that there are more than 5 orders of magnitude increment in the sheet resistance at room temperature when comparing 5nm and 1.5nm films. Scattering effects at interfaces and grain boundaries could play a role in thickness-dependent resistivity in addition to quantum confinement effect that could occur at ultra-thin films: based on our measurements the carrier concentration is decreased from 1.5E22 1/cm3 to 5.5E17 1/cm3, while the mobility is increased from < 0.1 cm2/V.s to ~4 cm2/V.s for the 5nm and 1.5nm films, respectively. Also, measurements at different temperatures indicate that the resistivity is relatively constant for the 5nm film, while for the 1.5nm film more than 2 orders of magnitude reduction has been observed over the range of 220K to 400K. The activation energy of the 2.5nm and 1.5nm films is 30meV and 125meV, respectively, indicating that the TiON ultra-thin films are exhibiting semiconducting behaviour attributing this effect to a metal-semiconductor transition. By the same token, the contact is no longer Ohmic for the thinnest film (i.e., 1.5nm-thick film); hence, a modified lift-off process was developed to selectively deposit thicker films allowing us to perform electrical measurements with low contact resistance on the raised contact regions. Our atomic scale simulations based on molecular dynamic-generated amorphous TiON structures with low oxygen content confirm our experimental observations indicating highly n-type thin films.

Keywords: activation energy, ALD, metal-semiconductor transition, resistivity, titanium oxynitride, ultra-thin film

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Authors: Sang-Wook Han, Zhenlan Jin, In-Hui Hwang, Chang-In Park

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We examined structural and electrical properties of uniformly-oriented VO₂/ZnO nanostructures. VO₂ was deposited on ZnO templates by using a direct current-sputtering deposition. Scanning electron microscope and transmission electron microscope measurements indicated that b-oriented VO₂ were uniformly crystallized on ZnO templates with different lengths. VO₂/ZnO formed nanorods on ZnO nanorods with length longer than 250 nm. X-ray absorption fine structure at V K edge of VO₂/ZnO showed M1 and R phases of VO₂ at 30 and 100 ℃, respectively, suggesting structural phase transition between temperatures. Temperature-dependent resistance measurements of VO₂/ZnO nanostructures revealed metal-to-insulator transition at 65 ℃ and 55 ℃ during heating and cooling, respectively, regardless of ZnO length. The bond lengths of V-O and V-V pairs in VO₂/ZnO nanorods were somewhat distorted, and a substantial amount of structural disorder existed in the atomic pairs, compared to those of VO₂ films without ZnO. Resistance from VO₂/ZnO nanorods revealed a sharp MIT near 65 ℃ during heating and a hysteresis behavior. The resistance results suggest that microchannel for charge carriers exist nearly room temperature during cooling. VO₂/ZnO nanorods are quite stable and reproducible so that they can be widely used for practical applications to electronic devices, gas sensors, and ultra-fast switches, as examples.

Keywords: metal-to-insulator transition, VO₂, ZnO, XAFS, structural-phase transition

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Authors: Alireza Dantism

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Presently, describing the function of a protein sequence is one of the most common problems in biology. Usually, this problem can be facilitated by studying the three-dimensional structure of proteins. In the absence of a protein structure, comparative modeling often provides a useful three-dimensional model of the protein that is dependent on at least one known protein structure. Comparative modeling predicts the three-dimensional structure of a given protein sequence (target) mainly based on its alignment with one or more proteins of known structure (templates). Comparative modeling consists of four main steps 1. Similarity between the target sequence and at least one known template structure 2. Alignment of target sequence and template(s) 3. Build a model based on alignment with the selected template(s). 4. Prediction of model errors 5. Optimization of the built model There are many computer programs and web servers that automate the comparative modeling process. One of the most important advantages of these servers is that it makes comparative modeling available to both experts and non-experts, and they can easily do their own modeling without the need for programming knowledge, but some other experts prefer using programming knowledge and do their modeling manually because by doing this they can maximize the accuracy of their modeling. In this study, a web-based tool has been designed to predict the tertiary structure of proteins using PHP and Python programming languages. This tool is called EasyModel. EasyModel can receive, according to the user's inputs, the desired unknown sequence (which we know as the target) in this study, the protein sequence file (template), etc., which also has a percentage of similarity with the primary sequence, and its third structure Predict the unknown sequence and present the results in the form of graphs and constructed protein files.

Keywords: structural bioinformatics, protein tertiary structure prediction, modeling, comparative modeling, modeller

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Authors: Behnaz Moradijamei, Michael Higgins

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Identifying community structure is a critical task in analyzing social media data sets often modeled by networks. Statistical models such as the stochastic block model have proven to explain the structure of communities in real-world network data. In this work, we develop a goodness-of-fit test to examine community structure's existence by using a distinguishing property in networks: cyclic structures are more prevalent within communities than across them. To better understand how communities are shaped by the cyclic structure of the network rather than just the number of edges, we introduce a novel method for deciding on the existence of communities. We utilize these structures by using renewal non-backtracking random walk (RNBRW) to the existing goodness-of-fit test. RNBRW is an important variant of random walk in which the walk is prohibited from returning back to a node in exactly two steps and terminates and restarts once it completes a cycle. We investigate the use of RNBRW to improve the performance of existing goodness-of-fit tests for community detection algorithms based on the spectral properties of the adjacency matrix. Our proposed test on community structure is based on the probability distribution of eigenvalues of the normalized retracing probability matrix derived by RNBRW. We attempt to make the best use of asymptotic results on such a distribution when there is no community structure, i.e., asymptotic distribution under the null hypothesis. Moreover, we provide a theoretical foundation for our statistic by obtaining the true mean and a tight lower bound for RNBRW edge weights variance.

Keywords: hypothesis testing, RNBRW, network inference, community structure

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Authors: Ehsan Khademi, Mahdi Jalili

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Despite the special features of bipartite networks, they are common in many systems. Real-world bipartite networks may show community structure, similar to what one can find in one-mode networks. However, the interpretation of the community structure in bipartite networks is different as compared to one-mode networks. In this manuscript, we compare a number of available methods that are frequently used to discover community structure of bipartite networks. These networks are categorized into two broad classes. One class is the methods that, first, transfer the network into a one-mode network, and then apply community detection algorithms. The other class is the algorithms that have been developed specifically for bipartite networks. These algorithms are applied on a model network with prescribed community structure.

Keywords: community detection, bipartite networks, co-clustering, modularity, network projection, complex networks

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Authors: Youngseok Kim, Chul Park, Jonghwa Yi, Sangsik Choi

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The 2-MHz Side Scan SONAR (SSS) attached to the boat for inspection of underwater structures is affected by shaking. It is difficult to determine the exact scale of damage of structure. In this study, a motion sensor is attached to the inside of the 2-MHz SSS to get roll, pitch, and yaw direction data, and developed the image stabilization tool to correct the sonar image. We checked that reliable data can be obtained with an average error rate of 1.99% between the measured value and the actual distance through experiment. It is possible to get the accurate sonar data to inspect damage in underwater structure.

Keywords: image stabilization, motion sensor, safety inspection, sonar image, underwater structure

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Authors: Li Feng, Cheng Zhang, Chuanzhou Yuang

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Understanding the macromolecular structure of low-rank coal is very important for its gasification and liquefaction. The pyrolysis is one of the methods of analyzing the macromolecular structure of coal. The gaseous products decomposed directly by the raw lignite at 500 °C and indirectly by tar products from raw lignite pyrolysis at 500 °C were investigated and compared by thermogravimetry, gas chromatography and mass spectrum coupled instrument system (TG/GC/MS) in this paper. The results show that 52 kinds of products were found from the raw lignite and 70 kinds of products from the tar. The pyrolysis products directly from the lignite appear more monocyclic aromatic hydrocarbons and less substituent groups or branch chain, compared with the products from the tar. There is less linear chain and double bonds structure in the tar, which can be speculated that linear chain and double bonds structure took part in the generation of condensed rings and other reactions. There are more kinds of phenol and furan in the tar, which indicate that these products may be generated from the secondary reaction. The formation process of phenol, phenol naphthalene, naphthene and furan are discussed.

Keywords: composition and structure, lignite, pyrolysis of coal, tar, TG/GC/MS

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Authors: Moustafa Osman Mohammed

Abstract:

The photocurrent generations are influencing ultra-high efficiency solar cells based on self-assembled quantum dot (QD) nanostructures. Nanocrystal quantum dots (QD) provide a great enhancement toward solar cell efficiencies through the use of quantum confinement to tune absorbance across the solar spectrum enabled multi-exciton generation. Based on theoretical predictions, QDs have potential to improve systems efficiency in approximate regular electrons excitation intensity greater than 50%. In solar cell devices, an intermediate band formed by the electron levels in quantum dot systems. The spatial architecture is exploring how can solar cell integrate and produce not only high open circuit voltage (> 1.7 eV) but also large short-circuit currents due to the efficient absorption of sub-bandgap photons. In the proposed QD system, the structure allows barrier material to absorb wavelengths below 700 nm while multi-photon processes in the used quantum dots to absorb wavelengths up to 2 µm. The assembly of the electronic model is flexible to demonstrate the atoms and molecules structure and material properties to tune control energy bandgap of the barrier quantum dot to their respective optimum values. In terms of energy virtual conversion, the efficiency and cost of the electronic structure are unified outperform a pair of multi-junction solar cell that obtained in the rigorous test to quantify the errors. The milestone toward achieving the claimed high-efficiency solar cell device is controlling the edge causes of energy bandgap between the barrier material and quantum dot systems according to the media design limits. Despite this remarkable potential for high photocurrent generation, the achievable open-circuit voltage (Voc) is fundamentally limited due to non-radiative recombination processes in QD solar cells. The orientation of voltage recovery system is compared theoretically with experimental Voc variation in mediation upper–limit obtained one diode modeling form at the cells with different bandgap (Eg) as classified in the proposed spatial architecture. The opportunity for improvement Voc is valued approximately greater than 1V by using smaller QDs through QD solar cell recovery systems as confined to other micro and nano operations states.

Keywords: nanotechnology, photovoltaic solar cell, quantum systems, renewable energy, environmental modeling

Procedia PDF Downloads 148

Authors: I. Wlasny, Z. Klusek, A. Wysmolek

Abstract:

Hexagonal boron nitride is a representative of a widely popular class of two-dimensional Van Der Waals materials. It finds its uses, among others, in construction of complexly layered heterostructures. Hexagonal boron nitride attracts great interest because of its properties characteristic for wide-gap semiconductors as well as an ultra-flat surface.Van Der Waals heterostructures composed of two-dimensional layered materials, such as transition metal dichalcogenides or graphene give hope for miniaturization of various electronic and optoelectronic elements. In our presentation, we will show the results of our investigations of the not previously reported modification of the hexagonal boron nitride layers with focused laser beam. The electrostatic force microscopy (EFM) images reveal that the irradiation leads to changes of the local electric fields for a wide range of laser wavelengths (from 442 to 785 nm). These changes are also accompanied by alterations of crystallographic structure of the material, as reflected by Raman spectra. They exhibit high stability and remain visible after at least five months. This behavior can be explained in terms of photoionization of the defect centers in h-BN which influence non-uniform electrostatic field screening by the photo-excited charge carriers. Analyzed changes influence local defect structure, and thus the interatomic distances within the lattice. These effects can be amplified by the piezoelectric character of hexagonal boron nitride, similar to that found in nitrides (e.g., GaN, AlN). Our results shed new light on the optical properties of the hexagonal boron nitride, in particular, those associated with electron-phonon coupling. Our study also opens new possibilities for h-BN applications in layered heterostructures where electrostatic fields can be used in tailoring of the local properties of the structures for use in micro- and nanoelectronics or field-controlled memory storage. This work is supported by National Science Centre project granted on the basis of the decision number DEC-2015/16/S/ST3/00451.

Keywords: atomic force microscopy, hexagonal boron nitride, optical properties, raman spectroscopy

Procedia PDF Downloads 166

Authors: Mizam Doğan

Abstract:

In service life; structures can be damaged if they are subjected to dead and live loads which are greater than design values. For preventing this case; possible loads must be correctly calculated, structure must be designed according to determined loads, and structure must not be used out of its function. If loading case of the structure changes when its function changes; it must be reinforced for continuing it is new function. Reinforcement is a process that is made by increasing the existing strengths of structural system elements of the structure as reinforced concrete walls, beams, and slabs. Reinforcement can be done by casting reinforced concrete, placing steel and fiber structural elements. In this paper, reinforcing of columns and slabs of a structure of which function is changed is studied step by step. This reinforcement is made for increasing vertical and lateral load carrying capacity of the building. Not for repairing damaged structural system.

Keywords: strengthening, RC slabs, seismic load, steel beam, structural irregularity

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Authors: Ho Young Son, Bu Seog Ju, Woo Young Jung

Abstract:

This study presents the seismic safety evaluation of weir structure subjected to strong earthquake ground motions, as a flood defense structure in civil engineering structures. The seismic safety analysis procedure was illustrated through development of Finite Element (FE) and InFinite Element (IFE) method in ABAQUS platform. The IFE model was generated by CINPS4, 4-node linear one-way infinite model as a sold continuum infinite element in foundation areas of the weir structure and then nonlinear FE model using friction model for soil-structure interactions was applied in this study. In order to understand the complex behavior of weir structures, nonlinear time history analysis was carried out. Consequently, it was interesting to note that the compressive stress gave more vulnerability to the weir structure, in comparison to the tensile stress, during an earthquake. The stress concentration of the weir structure was shown at the connection area between the weir body and stilling basin area. The stress both tension and compression was reduced in IFE model rather than FE model of weir structures.

Keywords: seismic, numerical analysis, FEM, weir, boundary condition

Procedia PDF Downloads 448

Authors: Juan Carlos Baena, Zhongxiao Peng

Abstract:

Ultra-high molecular weight polyethylene (UHMWPE) is extensively used in industrial and biomedical fields. The slippery nature of UHMWPE makes this material suitable for surface bearing applications, however, the operational conditions limit the lubrication efficiency, inducing boundary and mixed lubrication in the tribological system. The lack of lubrication in a tribological system intensifies friction, contact stress and consequently, operating temperature. With temperature increase, the material’s mechanical properties are affected, and the lifespan of the component is reduced. The understanding of how mechanical properties and wear performance of UHMWPE change when the temperature is increased has not been clearly identified. The understanding of the wear and mechanical performance of UHMWPE at different temperature is important to predict and further improve the lifespan of these components. This study evaluates the effects of temperature variation in a range of 20 °C to 60 °C on the hardness and the wear resistance of UHMWPE. A reduction of the hardness and wear resistance was observed with the increase in temperature. The variation of the wear rate increased 94.8% when the temperature changed from 20 °C to 50 °C. Although hardness is regarded to be an indicator of the material wear resistance, this study found that wear resistance decreased more rapidly than hardness with the temperature increase, evidencing a low material stability of this component in a short temperature interval. The reduction of the hardness was reflected by the plastic deformation and abrasion intensity, resulting in a significant wear rate increase.

Keywords: hardness, surface bearing, tribological system, UHMWPE, wear

Procedia PDF Downloads 259

Authors: Murat Avci, Fatih Kosar, Ismail Yilmaz

Abstract:

In this study, structure-flow interaction for water brake mechanism is studied with Abaqus CEL approach. The water brake mechanism is used for dynamic systems such as sled system on rail. For the achievement of these system tests, structure-flow interaction should be investigated in detail. This study is about a sled test of an aircraft subsystem which rises to supersonic speeds thanks to rocket engines. To decrease or to stop the thrusting rocket sleds, water brake mechanisms are used. Water brake mechanism provides the deceleration of the structures that have supersonic speeds. Therefore, structure-flow interaction may cause damage to the water brake mechanism. To verify all design revisions with system tests are so costly so that some decisions are taken in accordance with numerical methods. In this study, structure-flow interaction that belongs to water brake mechanism is solved with Abaqus CEL approach. Fluid and deformation on the structure behaviors are modeled at the same time thanks to CEL approach. Provided analysis results are corrected with the dynamic tests. Deformation zones seen in numerical analysis are also observed in dynamic tests. Finally, Johnson-Cook material model parameters used for this analysis are proven, and it is understood that these parameters can be used for dynamic analysis like water brake mechanism.

Keywords: aircraft, rocket, structure-flow, supersonic

Procedia PDF Downloads 147