Search results for: Buckingham potential
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 10879

Search results for: Buckingham potential

10759 The Effect of Molybdate on Corrosion Behaviour of AISI 316Ti Stainless Steel in Chloride Environment

Authors: Viera Zatkalíková, Lenka Markovičová, Aneta Tor-Swiatek

Abstract:

The effect of molybdate addition to chloride environment on resistance of AISI 316Ti stainless steel to pitting corrosion was studied. Potentiodynamic polarisation tests were performed in 1 M and 0.1 M chloride acidified solutions with various additions of sodium molybdate at room temperature. The presented results compare the effect of molybdate anions on quality of passive film (expressed by the pitting potential) in both chloride solutions. The pitting potential increases with the increase inhibitor concentration. The inhibitive effect of molybdate ions is stronger in chloride solution of lower aggressiveness (0.1M).

Keywords: AISI 316Ti steel, molybdate inhibitor, pitting corrosion, pitting potential, potentiodynamic polarisation

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10758 Analytical Solutions to the N-Dimensional Schrödinger Equation with a Collective Potential Model to Study Energy Spectra Andthermodynamic Properties of Selected Diatomic Molecules

Authors: BenedictI Ita, Etido P. Inyang

Abstract:

In this work, the resolutions of the N-dimensional Schrödinger equation with the screened modified Kratzerplus inversely quadratic Yukawa potential (SMKIQYP) have been obtained with the Greene-Aldrich approximation scheme using the Nikiforov-Uvarov method. The eigenvalues and the normalized eigenfunctions are obtained. We then apply the energy spectrum to study four (HCl, N₂, NO, and CO) diatomic molecules. The results show that the energy spectra of these diatomic molecules increase as quantum numbers increase. The energy equation was also used to calculate the partition function and other thermodynamic properties. We predicted the partition function of CO and NO. To check the accuracy of our work, the special case (Modified Kratzer and screened Modified Kratzer potentials) of the collective potential energy eigenvalues agrees excellently with the existing literature.

Keywords: Schrödinger equation, Nikiforov-Uvarov method, modified screened Kratzer, inversely quadratic Yukawa potential, diatomic molecules

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10757 Analysis of Human Toxicity Potential of Major Building Material Production Stage Using Life Cycle Assessment

Authors: Rakhyun Kim, Sungho Tae

Abstract:

Global environmental issues such as abnormal weathers due to global warming, resource depletion, and ecosystem distortions have been escalating due to rapid increase of population growth, and expansion of industrial and economic development. Accordingly, initiatives have been implemented by many countries to protect the environment through indirect regulation methods such as Environmental Product Declaration (EPD), in addition to direct regulations such as various emission standards. Following this trend, life cycle assessment (LCA) techniques that provide quantitative environmental information, such as Human Toxicity Potential (HTP), for buildings are being developed in the construction industry. However, at present, the studies on the environmental database of building materials are not sufficient to provide this support adequately. The purpose of this study is to analysis human toxicity potential of major building material production stage using life cycle assessment. For this purpose, the theoretical consideration of the life cycle assessment and environmental impact category was performed and the direction of the study was set up. That is, the major material in the global warming potential view was drawn against the building and life cycle inventory database was selected. The classification was performed about 17 kinds of substance and impact index, such as human toxicity potential, that it specifies in CML2001. The environmental impact of analysis human toxicity potential for the building material production stage was calculated through the characterization. Meanwhile, the environmental impact of building material in the same category was analyze based on the characterization impact which was calculated in this study. In this study, establishment of environmental impact coefficients of major building material by complying with ISO 14040. Through this, it is believed to effectively support the decisions of stakeholders to improve the environmental performance of buildings and provide a basis for voluntary participation of architects in environment consideration activities.

Keywords: human toxicity potential, major building material, life cycle assessment, production stage

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10756 Petroleum Generative Potential of Eocene-Paleocene Sequences of Potwar Basin, Pakistan

Authors: Syed Bilawal Ali Shah

Abstract:

The investigation of the hydrocarbon source rock potential of Eocene-Paleocene formations of Potwar Basin, part of Upper Indus Basin Pakistan, was done using geochemical and petrological techniques. Analysis was performed on forty-five core-cutting samples from two wells. The sequences analysed are Sakesar, Lockhart and Patala formations of Potwar Basin. Patala Formation is one of Potwar Basin's major petroleum-bearing source rocks. The Lockhart Formation samples VR (%Ro) and Tmax data indicate that the formation is early mature to immature for petroleum generation for hydrocarbon generation; samples from the Patala and Sakesar formations, however, have a peak oil generation window and an early maturity (oil window). With 3.37 weight percent mean TOC and HI levels up to 498 mg HC/g TOC, the source rock characteristics of the Sakesar and Patala formations generally exhibit good to very strong petroleum generative potential. The majority of sediments representing Lockhart Formation have 1.5 wt.% mean TOC having fair to good potential with HI values ranging between 203-498 mg HC/g TOC. 1. The analysed sediments of all formations possess primarily mixed Type II/III and Type III kerogen. Analysed sediments indicate that both the Sakesar and Patala formations can possess good oil-generation potential and may act as an oil source rock in the Potwar Basin.

Keywords: Potwar Basin, Patala Shale, Rock-Eval pyrolysis, Indus Basin, VR %Ro

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10755 The Effects of pH on the Electrochromism in Nickel Oxide Films

Authors: T. Taşköprü, M. Zor, E. Turan

Abstract:

The advantages of nickel oxide as an electrochromic material are its good contrast of transmittance and its suitable use as a secondary electrochromic film with WO3 for electrochromic devices. Electrochromic nickel oxide film was prepared by using a simple and inexpensive chemical deposition bath (CBD) technique onto fluorine-doped tin oxide (FTO) coated glass substrates from nickel nitrate solution. The films were ace centered cubic NiO with preferred orientation in the (2 0 0) direction. The electrochromic (EC) properties of the films were studied as a function of pH (8, 9, 10 and 11) in an aqueous alkaline electrolyte (0.3 M KOH) using cyclic voltammetry (CV). The EC cell was formed with the following configuration; FTO/nickel oxide film/0.3 M KOH/Pt The potential was cycled from 0.1 to 0.6V at diffferent potential sweep rates in the range 10- 50 mV/s. The films exhibit anodic electrochromism, changing colour from transparent to black.CV results of a nickel oxide film showed well-resolved anodic current peak at potential; 45 mV and cathodic peak at potential 28 mV. The structural, morphological, and optical changes in NiO film following the CV were investigated by means of X-ray diffractometer (XRD), field emission electron microscopy (FESEM) and UV-Vis- NIR spectrophotometry. No change was observed in XRD, besides surface morphology undergoes change due to the electrical discharge. The change in tansmittance between the bleached and colored state is 68% for the film deposited with pH=11 precursor.

Keywords: nickel oxide, XRD, SEM, cyclic voltammetry

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10754 Application of Acid Base Accounting to Predict Post-Mining Drainage Quality in Coalfields of the Main Karoo Basin and Selected Sub-Basins, South Africa

Authors: Lindani Ncube, Baojin Zhao, Ken Liu, Helen Johanna Van Niekerk

Abstract:

Acid Base Accounting (ABA) is a tool used to assess the total amount of acidity or alkalinity contained in a specific rock sample, and is based on the total S concentration and the carbonate content of a sample. A preliminary ABA test was conducted on 14 sandstone and 5 coal samples taken from coalfields representing the Main Karoo Basin (Highveld, Vryheid and Molteno/Indwe Coalfields) and the Sub-basins (Witbank and Waterberg Coalfields). The results indicate that sandstone and coal from the Main Karoo Basin have the potential of generating Acid Mine Drainage (AMD) as they contain sufficient pyrite to generate acid, with the final pH of samples relatively low upon complete oxidation of pyrite. Sandstone from collieries representing the Main Karoo Basin are characterised by elevated contents of reactive S%. All the studied samples were characterised by an Acid Potential (AP) that is less than the Neutralizing Potential (NP) except for two samples. The results further indicate that the sandstone from the Main Karoo Basin is prone to acid generation as compared to the sandstone from the Sub-basins. However, the coal has a relatively low potential of generating any acid. The application of ABA in this study contributes to an understanding of the complexities governing water-rock interactions. In general, the coalfields from the Main Karoo Basin have much higher potential to produce AMD during mining processes than the coalfields in the Sub-basins.

Keywords: Main Karoo Basin, sub-basin, coal, sandstone, acid base accounting (ABA)

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10753 Screening of Potential Sources of Tannin and Its Therapeutic Application

Authors: Mamta Kumari, Shashi Jain

Abstract:

Tannins are a unique category of plant phytochemicals especially in terms of their vast potential health-benefiting properties. Researchers have described the capacity of tannins to enhance glucose uptake and inhibit adipogenesis, thus being potential drugs for the treatment of non-insulin dependent diabetes mellitus. Thus, the present research was conducted to find out tannin content of food products. The percentage of tannin in various analyzed sources ranged from 0.0 to 108.53%; highest in kathaa and lowest in ker and mango bark. The percentage of tannins present in the plants, however, varies. Numerous studies have confirmed that the naturally occurring polyphenols are key factor for the beneficial effects of the herbal medicines. Isolation and identification of active constituents from plants, preparation of standardized dose & dosage regimen can play a significant role in improving the hypoglycaemic action.

Keywords: tannins, diabetes, polyphenols, antioxidant, hypoglycemia

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10752 AFM Probe Sensor Designed for Cellular Membrane Components

Authors: Sarmiza Stanca, Wolfgang Fritzsche, Christoph Krafft, Jürgen Popp

Abstract:

Independent of the cell type a thin layer of a few nanometers thickness surrounds the cell interior as the cellular membrane. The transport of ions and molecules through the membrane is achieved in a very precise way by pores. Understanding the process of opening and closing the pores due to an electrochemical gradient across the membrane requires knowledge of the pore constitutive proteins. Recent reports prove the access to the molecular level of the cellular membrane by atomic force microscopy (AFM). This technique also permits an electrochemical study in the immediate vicinity of the tip. Specific molecules can be electrochemically localized in the natural cellular membrane. Our work aims to recognize the protein domains of the pores using an AFM probe as a miniaturized amperometric sensor, and to follow the protein behavior while changing the applied potential. The intensity of the current produced between the surface and the AFM probe is amplified and detected simultaneously with the surface imaging. The AFM probe plays the role of the working electrode and the substrate, a conductive glass on which the cells are grown, represent the counter electrode. For a better control of the electric potential on the probe, a third electrode Ag/AgCl wire is mounted in the circuit as a reference electrode. The working potential is applied between the electrodes with a programmable source and the current intensity in the circuit is recorded with a multimeter. The applied potential considers the overpotential at the electrode surface and the potential drop due to the current flow through the system. The reported method permits a high resolved electrochemical study of the protein domains on the living cell membrane. The amperometric map identifies areas of different current intensities on the pore depending on the applied potential. The reproducibility of this method is limited by the tip shape, the uncontrollable capacitance, which occurs at the apex and a potential local charge separation.

Keywords: AFM, sensor, membrane, pores, proteins

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10751 Energy Potential of Turkey and Evaluation of Solar Energy Technology as an Alternative Energy

Authors: Naci Büyükkaracığan, Murat Ahmet Ökmen

Abstract:

Emerging demand for energy in developing countries rapid population growth and industrialization are causing a rapid increase, such as Turkey. Energy is an important and indispensable factor in the industry. At the same time, energy is one of the main indicators that reflect a country's economic and social development potential. There is a linear relationship between the energy consumption and social development, and in parallel this situation, it is seen that energy consumption increase with economic growth and prosperity. In recent year’s, energy sources consumption is increasingly continuing, because of population growth and economy in Turkey. 80% of the energy used in Turkey is supplied from abroad. At the same time, while almost all of the energy obtained from our country is met by hydropower. Alternatively, studies of determining and using potential renewable energy sources such as solar energy have been realized for recent years. In this study, first of all, the situation of energy sources was examined in Turkey. Information of reserve/capacity, production and consumption values of energy sources were emphasized. For this purpose, energy production and consumption, CO2 emission and electricity energy consumption of countries were investigated. Energy consumption and electricity energy consumption per capita were comparatively analyzed.

Keywords: energy potential, alternative energy sources, solar energy, Turkey

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10750 Biochar as a Strong Adsorbent for Multiple-Metal Removal from Contaminated Water

Authors: Eman H. El-Gamal, Mai E. Khedr, Randa Ghonim, Mohamed Rashad

Abstract:

In the past few years, biochar - a highly carbon-rich material produced from agro-wastes by pyrolysis process - was used as an effective adsorbent for heavy metals removal from polluted water. In this study, different types of biochar (rice straw 'RSB', corn cob 'CCB', and Jatropha shell 'JSB' were used to evaluate the adsorption capacity of heavy metals removal from multiple-metal solutions (Cu, Mn, Zn, and Cd). Kinetics modeling has been examined to illustrate potential adsorption mechanisms. The results showed that the potential removal of metal is dependent on the metal and biochar types. The adsorption capacity of the biochars followed the order: RSB > JSB > CCB. In general, RSB and JSB biochars presented high potential removal of heavy metals from polluted water, which was higher than 90 and 80% after 2 hrs of contact time for all metals, respectively. According to the kinetics data, the pseudo-second-order model was agreed strongly with Cu, Mn, Zn, and Cd adsorption onto the biochars (R2 ≥ 0.97), indicating the dominance of specific adsorption process, i.e., chemisorption. In conclusion, this study revealed that RSB and JSB biochar have the potential to be a strong adsorbent for multiple-metal removal from wastewater.

Keywords: adsorption, biochar, chemisorption, polluted water

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10749 Hydrogeophysical Investigations of Groundwater Resources and Demarcation of Saltwater-Freshwater Interface in Kilwa Kisiwani Island, Se Tanzania

Authors: Simon R. Melchioly, Ibrahimu C. Mjemah, Isaac M. Marobhe

Abstract:

The main objective of this research was to identify new potential sources of groundwater resources using geophysical methods and also to demarcate the saltwater - freshwater interface. Kilwa Kisiwani Island geologically is covered mostly by Quaternary alluvial sediments, sand, and gravel. The geophysical techniques employed during the research include Vertical Electrical Sounding (VES), Earth Resistivity Tomography (ERT), and Transient Electromagnetics (TEM). Two-dimensional interpolated geophysical results show that there exist freshwater lenses formations that are potential aquifers on the Island with resistivity values ranging from 11.68 Ωm to 46.71 Ωm. These freshwater lenses are underlain by formation with brackish water in which the resistivity values are varying between 3.89 Ωm and 1.6 Ωm. Saltwater with resistivity less than 1 Ωm is found at the bottom being overlaid by brackish saturated formation. VES resistivity results show that 89% (16 out of 18) of the VES sites are potential for groundwater resources drilling while TEM results indicate that 75% (12 out of 16) of TEM sites are potential for groundwater borehole drilling. The recommended drilling depths for potential sites in Kilwa Kisiwani Island show that the maximum depth is 25 m and the minimum being 10 m below ground surface. The aquifer structure in Kilwa Kisiwani Island is a shallow, unconfined freshwater lenses floating above the seawater and the maximum thickness of the aquifer is 25 m for few selected VES and TEM sites while the minimum thickness being 10 m.

Keywords: groundwater, hydrogeophysical, Kilwa Kisiwani, freshwater, saltwater, resistivity

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10748 The Biocompatibility and Osteogenic Potential of Experimental Calcium Silicate Based Root Canal Sealer, Capseal

Authors: Seok Woo Chang

Abstract:

Aim: Capseal I and Capseal II are calcium silicate and calcium phosphate based experimental root canal sealer. The aim of this study was to evaluate the biocompatibility and mineralization potential of Capseal I and Capseal II. Materials and Methods: The biocompatibility and mineralization-related gene expression (alkaline phosphatase (ALP), bone sialoprotein (BSP), and osteocalcin (OCN)) of Capseal I and Capseal II were compared using methylthiazol tetrazolium assay and reverse transcription-polymerization chain reaction analysis, respectively. The results were analyzed by Kruskal-Wallis test. P-value of < 0.05 was considered significant. Result: Both Capseal I and Capseal II were favorable in biocompatibility and influenced the messenger RNA expression of ALP and BSP. Conclusion: Within the limitation of this study, Capseal is biocompatible and have mineralization promoting potential, and thus could be a promising root canal sealer.

Keywords: biocompatibility, mineralization-related gene expression, Capseal I, Capseal II

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10747 Potential Field Functions for Motion Planning and Posture of the Standard 3-Trailer System

Authors: K. Raghuwaiya, S. Singh, B. Sharma, J. Vanualailai

Abstract:

This paper presents a set of artificial potential field functions that improves upon; in general, the motion planning and posture control, with theoretically guaranteed point and posture stabilities, convergence and collision avoidance properties of 3-trailer systems in a priori known environment. We basically design and inject two new concepts; ghost walls and the Distance Optimization Technique (DOT) to strengthen point and posture stabilities, in the sense of Lyapunov, of our dynamical model. This new combination of techniques emerges as a convenient mechanism for obtaining feasible orientations at the target positions with an overall reduction in the complexity of the navigation laws. The effectiveness of the proposed control laws were demonstrated via simulations of two traffic scenarios.

Keywords: artificial potential fields, 3-trailer systems, motion planning, posture, parking and collision, free trajectories

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10746 Molecular Electrostatic Potential in Z-3N(2-Ethoxyphenyl), 2-N'(2-Ethoxyphenyl) Imino Thiazolidin-4-one Molecule by Ab Initio and DFT Methods

Authors: Manel Boulakoud, Abdelkader Chouaih, Fodil Hamzaoui

Abstract:

In the present work we are interested in the determination of the Molecular electrostatic potential (MEP) in Z-3N(2-Ethoxyphenyl), 2-N’(2-Ethoxyphenyl) imino thiazolidin-4-one molecule by ab initio and Density Functional Theory (DFT) in the ground state. The MEP is related to the electronic density and is a very useful descriptor in understanding sites for electrophilic attack and nucleophilic reactions as well as hydrogen bonding interactions. First, geometry optimization was carried out using Hartree–Fock (HF) and DFT methods with 6-311G(d,p) basis set. In order to get more information on the molecule, its stability has been analyzed by natural bond orbital (NBO) analysis. Mulliken population analyses have been calculated. Finally, the molecular electrostatic potential (MEP) and HOMO-LUMO energy levels have been performed. The calculated HOMO and LUMO energies show also the charge transfer within the molecule. The energy gap obtained is about 4 eV which explain the stability of the studied compound. The obtained molecular electrostatic potential from the two methods confirms the nature of the electron charge transfer at the molecular shell and locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: DFT, ab initio, HOMO-LUMO, organic compounds

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10745 Presenting the Mathematical Model to Determine Retention in the Watersheds

Authors: S. Shamohammadi, L. Razavi

Abstract:

This paper based on the principle concepts of SCS-CN model, a new mathematical model for computation of retention potential (S) presented. In the mathematical model, not only precipitation-runoff concepts in SCS-CN model are precisely represented in a mathematical form, but also new concepts, called “maximum retention” and “total retention” is introduced, and concepts of potential retention capacity, maximum retention, and total retention have been separated from each other. In the proposed model, actual retention (F), maximum actual retention (Fmax), total retention (S), maximum retention (Smax), and potential retention (Sp), for the first time clearly defined, so that Sp is not variable, but a function of morphological characteristics of the watershed. Indeed, based on the mathematical relation of the conceptual curve of SCS-CN model, the proposed model provides a new method for the computation of actual retention in watershed and it simply determined runoff based on. In the corresponding relations, in addition to Precipitation (P), Initial retention (Ia), cumulative values of actual retention capacity (F), total retention (S), runoff (Q), antecedent moisture (M), potential retention (Sp), total retention (S), we introduced Fmax and Fmin referring to maximum and minimum actual retention, respectively. As well as, ksh is a coefficient which depends on morphological characteristics of the watershed. Advantages of the modified version versus the original model include a better precision, higher performance, easier calibration and speed computing.

Keywords: model, mathematical, retention, watershed, SCS

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10744 Feasibility Study and Developing Appropriate Hybrid Energy Systems in Regional Level

Authors: Ahmad Rouhani

Abstract:

Iran has several potentials for using renewable energies, so use them could significantly contribute to energy supply. The purpose of this paper is to identify the potential of the country and select the appropriate DG technologies with consideration the potential and primary energy resources in the regions. In this context, hybrid energy systems proportionate with the potential of different regions will be determined based on technical, economic, and environmental aspect. In the following, the proposed structure will be optimized in terms of size and cost. DG technologies used in this project include the photovoltaic system, wind turbine, diesel generator, and battery bank. The HOMER software is applied for choosing the appropriate structure and the optimization of system sizing. The results have been analyzed in terms of technical and economic. The performance and the cost of each project demonstrate the appropriate structure of hybrid energy system in that region.

Keywords: feasibility, hybrid energy system, Iran, renewable energy

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10743 Counter-Terrorism Policies in the Wider Black Sea Region: Evaluating the Robustness of Constantza Port under Potential Terror Attacks

Authors: A. V. Popa, C. Barna, V. Mihalache

Abstract:

Being the largest port at the Black Sea and functioning as a civil and military nodal point between Europe and Asia, Constantza Port has become a potential target on the terrorist international agenda. The authors use qualitative research based on both face-to-face and online semi-structured interviews with relevant stakeholders (top decision-makers in the Romanian Naval Authority, Romanian Maritime Training Centre, National Company "Maritime Ports Administration" and military staff) in order to detect potential vulnerabilities which might be exploited by terrorists in the case of Constantza Port. Likewise, this will enable bringing together the experts’ opinions on potential mitigation measures. Subsequently, this paper formulates various counter-terrorism policies to enhance the robustness of Constantza Port under potential terror attacks and connects them with the attributions in the field of critical infrastructure protection conferred by the law to the lead national authority for preventing and countering terrorism, namely the Romanian Intelligence Service. Extending the national counterterrorism efforts to an international level, the authors propose the establishment – among the experts of the NATO member states of the Wider Black Sea Region – of a platform for the exchange of know-how and best practices in the field of critical infrastructure protection.

Keywords: Constantza Port, counter-terrorism policies, critical infrastructure protection, security, Wider Black Sea Region

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10742 Event Related Potentials in Terms of Visual and Auditory Stimuli

Authors: Seokbeen Lim, KyeongSeok Sim, DaKyeong Shin, Gilwon Yoon

Abstract:

Event-related potential (ERP) is one of the useful tools for investigating cognitive reactions. In this study, the potential of ERP components detected after auditory and visual stimuli was examined. Subjects were asked to respond upon stimuli that were of three categories; Target, Non-Target and Standard stimuli. The ERP after stimulus was measured. In the experiment of visual evoked potentials (VEPs), the subjects were asked to gaze at a center point on the monitor screen where the stimuli were provided by the reversal pattern of the checkerboard. In consequence of the VEP experiments, we observed consistent reactions. Each peak voltage could be measured when the ensemble average was applied. Visual stimuli had smaller amplitude and a longer latency compared to that of auditory stimuli. The amplitude was the highest with Target and the smallest with Standard in both stimuli.

Keywords: auditory stimulus, EEG, event related potential, oddball task, visual stimulus

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10741 Automated Vehicle Traffic Control Tower: A Solution to Support the Next Level Automation

Authors: Xiaoyun Zhao, Rami Darwish, Anna Pernestål

Abstract:

Automated vehicles (AVs) have the potential to enhance road capacity, improving road safety and traffic efficiency. Research and development on AVs have been going on for many years. However, when the complicated traffic rules and real situations interacted, AVs fail to make decisions on contradicting situations, and are not able to have control in all conditions due to highly dynamic driving scenarios. This limits AVs’ usage and restricts the full potential benefits that they can bring. Furthermore, regulations, infrastructure development, and public acceptance cannot keep up at the same pace as technology breakthroughs. Facing these challenges, this paper proposes automated vehicle traffic control tower (AVTCT) acting as a safe, efficient and integrated solution for AV control. It introduces a concept of AVTCT for control, management, decision-making, communication and interaction with various aspects in transportation. With the prototype demonstrations and simulations, AVTCT has the potential to overcome the control challenges with AVs and can facilitate AV reaching their full potential. Possible functionalities, benefits as well as challenges of AVTCT are discussed, which set the foundation for the conceptual model, simulation and real application of AVTCT.

Keywords: automated vehicle, connectivity and automation, intelligent transport system, traffic control, traffic safety

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10740 Ab Initio Spectroscopic Study of the Electronic Properties of the (Bana)+ Molecular Ion

Authors: Tahani H. Alluhaybi, Leila Mejrissi

Abstract:

In the present theoretical study, we investigated adiabatically the electronic structure of the (BaNa)+ by the use of the ab initio calculation. We optimized a large atomic GTO basis set for Na and Ba atoms. The (BaNa)+ molecular ion is considered a two-electron thank to a non-empirical pseudo-potentials approach applied to Ba and Na cores with the Core Polarization Potentials operator (CPP). Then, we performed the Full Configuration Interaction (FCI) method. Accordingly, we calculated the adiabatic Potential Energy Curves (PECs) and their spectroscopic constants (well depth De, transition energies Te, the equilibrium distances Re, vibrational constant ⍵e, and anharmonic constant ⍵exe) for 10 electronic states in Σ+ symmetry. Then we determined the vibrational level energies and their spacing, and the electric Permanent Dipole Moments (PDM).

Keywords: Ab initio, dipole moment, non-empirical pseudo-potential, potential energy curves, spectroscopic constants, vibrational energy

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10739 Modeling the Saltatory Conduction in Myelinated Axons by Order Reduction

Authors: Ruxandra Barbulescu, Daniel Ioan, Gabriela Ciuprina

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The saltatory conduction is the way the action potential is transmitted along a myelinated axon. The potential diffuses along the myelinated compartments and it is regenerated in the Ranvier nodes due to the ion channels allowing the flow across the membrane. For an efficient simulation of populations of neurons, it is important to use reduced order models both for myelinated compartments and for Ranvier nodes and to have control over their accuracy and inner parameters. The paper presents a reduced order model of this neural system which allows an efficient simulation method for the saltatory conduction in myelinated axons. This model is obtained by concatenating reduced order linear models of 1D myelinated compartments and nonlinear 0D models of Ranvier nodes. The models for the myelinated compartments are selected from a series of spatially distributed models developed and hierarchized according to their modeling errors. The extracted model described by a nonlinear PDE of hyperbolic type is able to reproduce the saltatory conduction with acceptable accuracy and takes into account the finite propagation speed of potential. Finally, this model is again reduced in order to make it suitable for the inclusion in large-scale neural circuits.

Keywords: action potential, myelinated segments, nonlinear models, Ranvier nodes, reduced order models, saltatory conduction

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10738 Reliability Analysis of Soil Liquefaction Based on Standard Penetration: A Case Study in Babol City

Authors: Mehran Naghizaderokni, Asscar Janalizadechobbasty

Abstract:

There are more probabilistic and deterministic liquefaction evaluation procedures in order to judge whether liquefaction will occur or not. A review of this approach reveals that there is a need for a comprehensive procedure that accounts for different sources of uncertainty in liquefaction evaluation. In fact, for the same set of input parameters, different methods provide different factors of safety and/or probabilities of liquefaction. To account for the different uncertainties, including both the model and measurement uncertainties, reliability analysis is necessary. This paper has obtained information from Standard Penetration Test (SPT) and some empirical approaches such as: Seed et al, Highway bridge of Japan approach to soil liquefaction, The Overseas Coastal Area Development Institute of Japan (OCDI) and reliability method to studying potential of liquefaction in soil of Babol city in the north of Iran are compared. Evaluation potential of liquefaction in soil of Babol city is an important issue since the soil of some area contains sand, seismic area, increasing level of underground waters and consequently saturation of soil; therefore, one of the most important goals of this paper is to gain suitable recognition of liquefaction potential and find the most appropriate procedure of evaluation liquefaction potential to decrease related damages.

Keywords: reliability analysis, liquefaction, Babol, civil, construction and geological engineering

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10737 An Inverse Docking Approach for Identifying New Potential Anticancer Targets

Authors: Soujanya Pasumarthi

Abstract:

Inverse docking is a relatively new technique that has been used to identify potential receptor targets of small molecules. Our docking software package MDock is well suited for such an application as it is both computationally efficient, yet simultaneously shows adequate results in binding affinity predictions and enrichment tests. As a validation study, we present the first stage results of an inverse-docking study which seeks to identify potential direct targets of PRIMA-1. PRIMA-1 is well known for its ability to restore mutant p53's tumor suppressor function, leading to apoptosis in several types of cancer cells. For this reason, we believe that potential direct targets of PRIMA-1 identified in silico should be experimentally screened for their ability to inhibitcancer cell growth. The highest-ranked human protein of our PRIMA-1 docking results is oxidosqualene cyclase (OSC), which is part of the cholesterol synthetic pathway. The results of two followup experiments which treat OSC as a possible anti-cancer target are promising. We show that both PRIMA-1 and Ro 48-8071, a known potent OSC inhibitor, significantly reduce theviability of BT-474 breast cancer cells relative to normal mammary cells. In addition, like PRIMA-1, we find that Ro 48-8071 results in increased binding of mutant p53 to DNA in BT- 474cells (which highly express p53). For the first time, Ro 48-8071 is shown as a potent agent in killing human breast cancer cells. The potential of OSC as a new target for developing anticancer therapies is worth further investigation.

Keywords: inverse docking, in silico screening, protein-ligand interactions, molecular docking

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10736 Identification of Potential Large Scale Floating Solar Sites in Peninsular Malaysia

Authors: Nur Iffika Ruslan, Ahmad Rosly Abbas, Munirah Stapah@Salleh, Nurfaziera Rahim

Abstract:

Increased concerns and awareness of environmental hazards by fossil fuels burning for energy have become the major factor driving the transition toward green energy. It is expected that an additional of 2,000 MW of renewable energy is to be recorded from the renewable sources by 2025 following the implementation of Large Scale Solar projects in Peninsular Malaysia, including Large Scale Floating Solar projects. Floating Solar has better advantages over its landed counterparts such as the requirement for land acquisition is relatively insignificant. As part of the site selection process established by TNB Research Sdn. Bhd., a set of mandatory and rejection criteria has been developed in order to identify only sites that are feasible for the future development of Large Scale Floating Solar power plant. There are a total of 85 lakes and reservoirs identified within Peninsular Malaysia. Only lakes and reservoirs with a minimum surface area of 120 acres will be considered as potential sites for the development of Large Scale Floating Solar power plant. The result indicates a total of 10 potential Large Scale Floating Solar sites identified which are located in Selangor, Johor, Perak, Pulau Pinang, Perlis and Pahang. This paper will elaborate on the various mandatory and rejection criteria, as well as on the various site selection process required to identify potential (suitable) Large Scale Floating Solar sites in Peninsular Malaysia.

Keywords: Large Scale Floating Solar, Peninsular Malaysia, Potential Sites, Renewable Energy

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10735 Modeling of Traffic Turning Movement

Authors: Michael Tilahun Mulugeta

Abstract:

Pedestrians are the most vulnerable road users as they are more exposed to the risk of collusion. Pedestrian safety at road intersections still remains the most vital and yet unsolved issue in Addis Ababa, Ethiopia. One of the critical points in pedestrian safety is the occurrence of conflict between turning vehicle and pedestrians at un-signalized intersection. However, a better understanding of the factors that affect the likelihood of the conflicts would help provide direction for countermeasures aimed at reducing the number of crashes. This paper has sorted to explore a model to describe the relation between traffic conflicts and influencing factors using Multiple Linear regression methodology. In this research the main focus is to study the interaction of turning (left & right) vehicle with pedestrian at unsignalized intersections. The specific objectives also to determine factors that affect the number of potential conflicts and develop a model of potential conflict.

Keywords: potential, regression analysis, pedestrian, conflicts

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10734 Predicting the Turbulence Intensity, Excess Energy Available and Potential Power Generated by Building Mounted Wind Turbines over Four Major UK City

Authors: Emejeamara Francis

Abstract:

The future of potentials wind energy applications within suburban/urban areas are currently faced with various problems. These include insufficient assessment of urban wind resource, and the effectiveness of commercial gust control solutions as well as unavailability of effective and cheaper valuable tools for scoping the potentials of urban wind applications within built-up environments. In order to achieve effective assessment of the potentials of urban wind installations, an estimation of the total energy that would be available to them were effective control systems to be used, and evaluating the potential power to be generated by the wind system is required. This paper presents a methodology of predicting the power generated by a wind system operating within an urban wind resource. This method was developed by using high temporal resolution wind measurements from eight potential sites within the urban and suburban environment as inputs to a vertical axis wind turbine multiple stream tube model. A relationship between the unsteady performance coefficient obtained from the stream tube model results and turbulence intensity was demonstrated. Hence, an analytical methodology for estimating the unsteady power coefficient at a potential turbine site is proposed. This is combined with analytical models that were developed to predict the wind speed and the excess energy (EEC) available in estimating the potential power generated by wind systems at different heights within a built environment. Estimates of turbulence intensities, wind speed, EEC and turbine performance based on the current methodology allow a more complete assessment of available wind resource and potential urban wind projects. This methodology is applied to four major UK cities namely Leeds, Manchester, London and Edinburgh and the potential to map the turbine performance at different heights within a typical urban city is demonstrated.

Keywords: small-scale wind, turbine power, urban wind energy, turbulence intensity, excess energy content

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10733 Half-Metallic Ferromagnetism in CdCoTe and CdMnTe: Ab-Initio Study

Authors: A.Zitouni, S.Bentata, B.Bouadjemi, T.Lantri, W. Benstaali, Z.Aziz, S.Cherid, A. Sefir

Abstract:

Using the first-principles method, we investigate the structural, electronic, and magnetic properties of the diluted magnetic semiconductors CdCoTe and CdMnTe in the zinc blende phase with 12.5% of Cr. The calculations are performed by a developed full potential augmented plane wave (FP-L/APW) method within the spin density functional theory (DFT). As exchange–correlation potential, we used the new generalized gradient approximation GGA. Structural properties are determined from the total energy calculations and we found that these compounds are stable in the ferromagnetic phase. We discuss the electronic structures, total and partial densities of states and local moments. Finally, CdCoTe and CdMnTe in the zinc-blend phase show the half-metallic ferromagnetic nature and are expected to be potential materials for spintronic devices.

Keywords: DFT, GGA, band structures, half-metallic, spintronics

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10732 Potential Biosorption of Rhodococcus erythropolis, an Isolated Strain from Sossego Copper Mine, Brazil

Authors: Marcela dos P. G. Baltazar, Louise H. Gracioso, Luciana J. Gimenes, Bruno Karolski, Ingrid Avanzi, Elen A. Perpetuo

Abstract:

In this work, bacterial strains were isolated from environmental samples from a copper mine and three of them presented potential for bioremediation of copper. All the strains were identified by mass spectrometry (MALDI-TOF-Biotyper) and grown in three diferent media supplemented with 100 ppm of copper chloride in flasks of 500mL and it was incubated at 28 °C and 180 rpm. Periodically, samples were taken and monitored for cellular growth and copper biosorption by spectrophotometer UV-Vis (600 nm) and Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES), respectively. At the end of exponential phase of cellular growth, the biomass was utilized to construct a correlation curve between absorbance and dry mass of the cells. Among the three isolates with potential for biorremediation, 1 strain exhibit capacity the most for bioremediation of effluents contaminated by copper being identified as Rhodococcus erythropolis.

Keywords: bioprocess, bioremediation, biosorption, copper

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10731 An Inquiry of the Impact of Flood Risk on Housing Market with Enhanced Geographically Weighted Regression

Authors: Lin-Han Chiang Hsieh, Hsiao-Yi Lin

Abstract:

This study aims to determine the impact of the disclosure of flood potential map on housing prices. The disclosure is supposed to mitigate the market failure by reducing information asymmetry. On the other hand, opponents argue that the official disclosure of simulated results will only create unnecessary disturbances on the housing market. This study identifies the impact of the disclosure of the flood potential map by comparing the hedonic price of flood potential before and after the disclosure. The flood potential map used in this study is published by Taipei municipal government in 2015, which is a result of a comprehensive simulation based on geographical, hydrological, and meteorological factors. The residential property sales data of 2013 to 2016 is used in this study, which is collected from the actual sales price registration system by the Department of Land Administration (DLA). The result shows that the impact of flood potential on residential real estate market is statistically significant both before and after the disclosure. But the trend is clearer after the disclosure, suggesting that the disclosure does have an impact on the market. Also, the result shows that the impact of flood potential differs by the severity and frequency of precipitation. The negative impact for a relatively mild, high frequency flood potential is stronger than that for a heavy, low possibility flood potential. The result indicates that home buyers are of more concern to the frequency, than the intensity of flood. Another contribution of this study is in the methodological perspective. The classic hedonic price analysis with OLS regression suffers from two spatial problems: the endogeneity problem caused by omitted spatial-related variables, and the heterogeneity concern to the presumption that regression coefficients are spatially constant. These two problems are seldom considered in a single model. This study tries to deal with the endogeneity and heterogeneity problem together by combining the spatial fixed-effect model and geographically weighted regression (GWR). A series of literature indicates that the hedonic price of certain environmental assets varies spatially by applying GWR. Since the endogeneity problem is usually not considered in typical GWR models, it is arguable that the omitted spatial-related variables might bias the result of GWR models. By combing the spatial fixed-effect model and GWR, this study concludes that the effect of flood potential map is highly sensitive by location, even after controlling for the spatial autocorrelation at the same time. The main policy application of this result is that it is improper to determine the potential benefit of flood prevention policy by simply multiplying the hedonic price of flood risk by the number of houses. The effect of flood prevention might vary dramatically by location.

Keywords: flood potential, hedonic price analysis, endogeneity, heterogeneity, geographically-weighted regression

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10730 Intellectual Property in Digital Environment

Authors: Balamurugan L.

Abstract:

Artificial intelligence (AI) and its applications in Intellectual Property Rights (IPR) has been significantly growing in recent years. In last couple of years, AI tools for Patent Research and Patent Analytics have been well-stabilized in terms of accuracy of references and representation of identified patent insights. However, AI tools for Patent Prosecution and Patent Litigation are still in the nascent stage and there may be a significant potential if such market is explored further. Our research is primarily focused on identifying potential whitespaces and schematic algorithms to automate the Patent Prosecution and Patent Litigation Process of the Intellectual Property. The schematic algorithms may assist leading AI tool developers, to explore such opportunities in the field of Intellectual Property. Our research is also focused on identification of pitfalls of the AI. For example, Information Security and its impact in IPR, and Potential remediations to sustain the IPR in the digital environment.

Keywords: artificial intelligence, patent analytics, patent drafting, patent litigation, patent prosecution, patent research

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