Search results for: Functional gastrointestinal disorders
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 820

Search results for: Functional gastrointestinal disorders

460 A Computer Proven Application of the Discrete Logarithm Problem

Authors: Sebastian Kusch, Markus Kaiser

Abstract:

In this paper we analyze the application of a formal proof system to the discrete logarithm problem used in publickey cryptography. That means, we explore a computer verification of the ElGamal encryption scheme with the formal proof system Isabelle/HOL. More precisely, the functional correctness of this algorithm is formally verified with computer support. Besides, we present a formalization of the DSA signature scheme in the Isabelle/HOL system. We show that this scheme is correct what is a necessary condition for the usefulness of any cryptographic signature scheme.

Keywords: Formal proof system, higher-order logic, formal verification, cryptographic signature scheme.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1560
459 Exponential Stability Analysis for Switched Cellular Neural Networks with Time-varying Delays and Impulsive Effects

Authors: Zixin Liu, Fangwei Chen

Abstract:

In this Letter, a class of impulsive switched cellular neural networks with time-varying delays is investigated. At the same time, parametric uncertainties assumed to be norm bounded are considered. By dividing the network state variables into subgroups according to the characters of the neural networks, some sufficient conditions guaranteeing exponential stability for all admissible parametric uncertainties are derived via constructing appropriate Lyapunov functional. One numerical example is provided to illustrate the validity of the main results obtained in this paper.

Keywords: Switched systems, exponential stability, cellular neural networks.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1417
458 Stability Criteria for Neural Networks with Two Additive Time-varying Delay Components

Authors: Qingqing Wang, Shouming Zhong

Abstract:

This paper is concerned with the stability problem with two additive time-varying delay components. By choosing one augmented Lyapunov-Krasovskii functional, using some new zero equalities, and combining linear matrix inequalities (LMI) techniques, two new sufficient criteria ensuring the global stability asymptotic stability of DNNs is obtained. These stability criteria are present in terms of linear matrix inequalities and can be easily checked. Finally, some examples are showed to demonstrate the effectiveness and less conservatism of the proposed method.

Keywords: Neural networks, Globally asymptotic stability, LMI approach, Additive time-varying delays.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1566
457 Analysis of Periodic Solution of Delay Fuzzy BAM Neural Networks

Authors: Qianhong Zhang, Lihui Yang, Daixi Liao

Abstract:

In this paper, by employing a new Lyapunov functional and an elementary inequality analysis technique, some sufficient conditions are derived to ensure the existence and uniqueness of periodic oscillatory solution for fuzzy bi-directional memory (BAM) neural networks with time-varying delays, and all other solutions of the fuzzy BAM neural networks converge the uniqueness periodic solution. These criteria are presented in terms of system parameters and have important leading significance in the design and applications of neural networks. Moreover an example is given to illustrate the effectiveness and feasible of results obtained.

Keywords: Fuzzy BAM neural networks, Periodic solution, Global exponential stability, Time-varying delays

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1515
456 A Development of OTOP Web Application: In Case of Samut Songkhram Province

Authors: Satien Janpla, Kunyanuth Kularbphettong

Abstract:

This paper aims to present the development of a web‑based system to serve the need of selling OTOP products in Samut Songkhram, Thailand. This system was designed to promote and sell OTOP products on Web site. We describe the design approaches and functional components of this system. The system was developed by PHP and JavaScript and MySQL database System. To evaluate the system performance, questionnaires were used to measure user satisfaction with system usability by specialists and users. The results were satisfactory as followed: Means for specialists and users were 4.05 and 3.97, and standard deviation for specialists and users were 0.563 and 0.644 respectively. Further analysis showed that the quality of One Tambon One Product (OTOP) Website was also at a good level as well.

Keywords: Web-based system, OTOP, product.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1853
455 Delay-range-Dependent Exponential Synchronization of Lur-e Systems with Markovian Switching

Authors: Xia Zhou, Shouming Zhong

Abstract:

The problem of delay-range-dependent exponential synchronization is investigated for Lur-e master-slave systems with delay feedback control and Markovian switching. Using Lyapunov- Krasovskii functional and nonsingular M-matrix method, novel delayrange- dependent exponential synchronization in mean square criterions are established. The systems discussed in this paper is advanced system, and takes all the features of interval systems, Itˆo equations, Markovian switching, time-varying delay, as well as the environmental noise, into account. Finally, an example is given to show the validity of the main result.

Keywords: Synchronization, delay-range-dependent, Markov chain, generalized Itō's formula, brownian motion, M-matrix.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1567
454 A Diagnostic Fuzzy Rule-Based System for Congenital Heart Disease

Authors: Ersin Kaya, Bulent Oran, Ahmet Arslan

Abstract:

In this study, fuzzy rule-based classifier is used for the diagnosis of congenital heart disease. Congenital heart diseases are defined as structural or functional heart disease. Medical data sets were obtained from Pediatric Cardiology Department at Selcuk University, from years 2000 to 2003. Firstly, fuzzy rules were generated by using medical data. Then the weights of fuzzy rules were calculated. Two different reasoning methods as “weighted vote method" and “singles winner method" were used in this study. The results of fuzzy classifiers were compared.

Keywords: Congenital heart disease, Fuzzy rule-basedclassifiers, Classification

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1821
453 Accurate Optical Flow Based on Spatiotemporal Gradient Constancy Assumption

Authors: Adam Rabcewicz

Abstract:

Variational methods for optical flow estimation are known for their excellent performance. The method proposed by Brox et al. [5] exemplifies the strength of that framework. It combines several concepts into single energy functional that is then minimized according to clear numerical procedure. In this paper we propose a modification of that algorithm starting from the spatiotemporal gradient constancy assumption. The numerical scheme allows to establish the connection between our model and the CLG(H) method introduced in [18]. Experimental evaluation carried out on synthetic sequences shows the significant superiority of the spatial variant of the proposed method. The comparison between methods for the realworld sequence is also enclosed.

Keywords: optical flow, variational methods, gradient constancy assumption.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2180
452 Attachment and Emotion Regulation among Adults with versus without Somatic Symptom Disorder

Authors: Natalia Constantinescu

Abstract:

This cross-sectional study aims to explore the differences among adults with somatic symptom disorder (SSD) versus adults without SSD, in terms of attachment and emotion regulation strategies. A total sample of 80 participants (40 people with SSD and 40 healthy controls), aged 20-57 years old (M = 31.69, SD = 10.55), were recruited from institutions and online groups. They completed the Romanian version of the Experiences in Close Relationships Scale – Short Form (ECR-S), Regulation of Emotion Systems Survey (RESS), Patient Health Questionnaire-15 (PHQ-15) and Somatic Symptom Disorder – B Criteria Scale (SSD-12). The results indicate significant differences between the two groups in terms of attachment and emotion regulation strategies. Adults with SSD have a higher level of attachment anxiety and avoidance compared to the nonclinical group. Moreover, people with SSD are more prone to use rumination and suppression and less prone to use reevaluation compared to healthy people. Implications for SSD prevention and treatment are discussed.

Keywords: adult attachment, emotion regulation strategies, psychosomatic disorders, somatic symptom disorder

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 720
451 A Novel Method for Behavior Modeling in Uncertain Information Systems

Authors: Ali Haroonabadi, Mohammad Teshnehlab

Abstract:

None of the processing models in the software development has explained the software systems performance evaluation and modeling; likewise, there exist uncertainty in the information systems because of the natural essence of requirements, and this may cause other challenges in the processing of software development. By definition an extended version of UML (Fuzzy- UML), the functional requirements of the software defined uncertainly would be supported. In this study, the behavioral description of uncertain information systems by the aid of fuzzy-state diagram is crucial; moreover, the introduction of behavioral diagrams role in F-UML is investigated in software performance modeling process. To get the aim, a fuzzy sub-profile is used.

Keywords: Fuzzy System, Software Development Model, Software Performance Evaluation, UML

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2497
450 New Approaches on Stability Analysis for Neural Networks with Time-Varying Delay

Authors: Qingqing Wang, Shouming Zhong

Abstract:

Utilizing the Lyapunov functional method and combining linear matrix inequality (LMI) techniques and integral inequality approach (IIA) to analyze the global asymptotic stability for delayed neural networks (DNNs),a new sufficient criterion ensuring the global stability of DNNs is obtained.The criteria are formulated in terms of a set of linear matrix inequalities,which can be checked efficiently by use of some standard numercial packages.In order to show the stability condition in this paper gives much less conservative results than those in the literature,numerical examples are considered.

Keywords: Neural networks, Globally asymptotic stability , LMI approach , IIA approach , Time-varying delay.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1939
449 The Approximate Solution of Linear Fuzzy Fredholm Integral Equations of the Second Kind by Using Iterative Interpolation

Authors: N. Parandin, M. A. Fariborzi Araghi

Abstract:

in this paper, we propose a numerical method for the approximate solution of fuzzy Fredholm functional integral equations of the second kind by using an iterative interpolation. For this purpose, we convert the linear fuzzy Fredholm integral equations to a crisp linear system of integral equations. The proposed method is illustrated by some fuzzy integral equations in numerical examples.

Keywords: Fuzzy function integral equations, Iterative method, Linear systems, Parametric form of fuzzy number.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1407
448 Anti-periodic Solutions for Cohen-Grossberg Shunting Inhibitory Neural Networks with Delays

Authors: Yongkun Li, Tianwei Zhang, Shufa Bai

Abstract:

By using the method of coincidence degree theory and constructing suitable Lyapunov functional, several sufficient conditions are established for the existence and global exponential stability of anti-periodic solutions for Cohen-Grossberg shunting inhibitory neural networks with delays. An example is given to illustrate our feasible results.

Keywords: Anti-periodic solution, coincidence degree, global exponential stability, Cohen-Grossberg shunting inhibitory cellular neural networks.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1504
447 Application of Sensory Thermography as Measuring Method to Study Median Nerve Temperatures

Authors: Javier Ordorica Villalvazo, Claudia Camargo Wilson, Jesus Everardo Olguin Tiznado

Abstract:

This paper presents an experimental case using sensory thermography to describe temperatures behavior on median nerve once an activity of repetitive motion was done. Thermography is a noninvasive technique without biological hazard and not harm at all times and has been applied in many experiments to seek for temperature patterns that help to understand diseases like cancer and cumulative trauma disorders (CTD’s). An infrared sensory thermography technology was developed to execute this study. Three women in good shape were selected for the repetitive motion tests for 4 days, two right-handed women and 1 left handed woman, two sensory thermographers were put on both median nerve wrists to get measures. The evaluation time was of 3 hours 30 minutes in a controlled temperature, 20 minutes of stabilization time at the beginning and end of the operation. Temperatures distributions are statistically evaluated and showed similar temperature patterns behavior.

Keywords: Median nerve, temperature, sensory thermography, wrists, CTD’s.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1489
446 New Stabilization for Switched Neutral Systems with Perturbations

Authors: Lianglin Xiong, Shouming Zhong, Mao Ye

Abstract:

This paper addresses the stabilization issues for a class of uncertain switched neutral systems with nonlinear perturbations. Based on new classes of piecewise Lyapunov functionals, the stability assumption on all the main operators or the convex combination of coefficient matrices is avoid, and a new switching rule is introduced to stabilize the neutral systems. The switching rule is designed from the solution of the so-called Lyapunov-Metzler linear matrix inequalities. Finally, three simulation examples are given to demonstrate the significant improvements over the existing results.

Keywords: Switched neutral system, piecewise Lyapunov functional, nonlinear perturbation, Lyapunov-Metzler linear matrix inequality.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1656
445 An Approximation Method for Exact Boundary Controllability of Euler-Bernoulli System

Authors: Abdelaziz Khernane, Naceur Khelil, Leila Djerou

Abstract:

The aim of this work is to study the numerical implementation of the Hilbert Uniqueness Method for the exact boundary controllability of Euler-Bernoulli beam equation. This study may be difficult. This will depend on the problem under consideration (geometry, control and dimension) and the numerical method used. Knowledge of the asymptotic behaviour of the control governing the system at time T may be useful for its calculation. This idea will be developed in this study. We have characterized as a first step, the solution by a minimization principle and proposed secondly a method for its resolution to approximate the control steering the considered system to rest at time T.

Keywords: Boundary control, exact controllability, finite difference methods, functional optimization.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1487
444 Statistical Properties and Performance of Ecological Indices Based On Relative Abundances

Authors: Gebriel M. Shamia

Abstract:

The Improved Generalized Diversity Index (IGDI) has been proposed as a tool that can be used to identify areas that have high conservation value and measure the ecological condition of an area. IGDI is based on the species relative abundances. This paper is concerned with particular attention is given to comparisons involving the MacArthur model of species abundances. The properties and performance of various species indices were assessed. Both IGDI and species richness increased with sampling area according to a power function. IGDI were also found to be acceptable ecological indicators of conditions and consistently outperformed coefficient of conservatism indices.

Keywords: Statistical ecology, MacArthur model, Functional Diversity.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2028
443 Effects of Position and Shape of Atomic Defects on the Band Gap of Graphene Nano Ribbon Superlattices

Authors: Zeinab Jokar, Mohammad Reza Moslemi

Abstract:

In this work, we study the behavior of introducing atomic size vacancy in a graphene nanoribbon superlattice. Our investigations are based on the density functional theory (DFT) with the Local Density Approximation in Atomistix Toolkit (ATK). We show that, in addition to its shape, the position of vacancy has a major impact on the electrical properties of a graphene nanoribbon superlattice. We show that the band gap of an armchair graphene nanoribbon may be tuned by introducing an appropriate periodic pattern of vacancies. The band gap changes in a zig-zag manner similar to the variation of band gap of a graphene nanoribbon by changing its width.

Keywords: Antidot, Atomistix ToolKit, Superlattice, Vacancy.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2705
442 Korean Men’s Interest in Gonzo Pornography and Use of Condoms

Authors: Chyng Sun

Abstract:

This brief report examines correlations between Korean men’s interest in gonzo pornography, perceptions of pornography’s functional value, and use of condoms. The report found that, neither a higher interest in gonzo or the perception that pornography is a source of sexual information was directly related to condom utilization. However, interest in gonzo pornography interacted with pornography perceptions to predict condomless sex. The findings suggest that Korean men who 1) had higher interest in viewing gonzo pornography, and 2) had a tendency to view pornography as a source of sexual information, are more likely to have sex without condoms. That is, when viewers consider pornography to be a form of sexual education, they are more likely to use the learned pornographic script to inform their sexual behavior.

Keywords: Korean, male, pornography, sexuality.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1193
441 Real Time Acquisition and Psychoacoustic Analysis of Brain Wave

Authors: Shweta Singh, Dipali Bansal, Rashima Mahajan

Abstract:

Psychoacoustics has become a potential area of research due to the growing interest of both laypersons and medical and mental health professionals. Non invasive brain computer interface like Electroencephalography (EEG) is widely being used in this field. An attempt has been made in this paper to examine the response of EEG signals to acoustic stimuli further analyzing the brain electrical activity. The real time EEG is acquired for 6 participants using a cost effective and portable EMOTIV EEG neuro headset. EEG data analysis is further done using EMOTIV test bench, EDF browser and EEGLAB (MATLAB Tool) application software platforms. Spectral analysis of acquired neural signals (AF3 channel) using these software platforms are clearly indicative of increased brain activity in various bands. The inferences drawn from such an analysis have significant correlation with subject’s subjective reporting of the experiences. The results suggest that the methodology adopted can further be used to assist patients with sleeping and depressive disorders.

Keywords: OM’ chant, Spectral analysis, EDF Browser, EEGLAB, EMOTIV, Real time Acquisition.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3577
440 Development of a Hamster Knowledge System Based On Android Application

Authors: Satien Janpla, Thanawan Boonpuck, Pattarapan Roonrakwit 

Abstract:

In this paper, we present a hamster knowledge system based on android application. The objective of this system is to advice user to upkeep and feed hamsters based on mobile application. We describe the design approaches and functional components of this system. The system was developed based on knowledge based of hamster experts. The results were divided by the research purposes into 2 parts: developing the mobile application for advice users and testing and evaluating the system. Black box technique was used to evaluate application performances and questionnaires were applied to measure user satisfaction with system usability by specialists and users.

Keywords: Hamster knowledge, android application, black box.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1880
439 Gene Network Analysis of PPAR-γ: A Bioinformatics Approach Using STRING

Authors: S. Bag, S. Ramaiah, P. Anitha, K. M. Kumar, P. Lavanya, V. Sivasakhthi, A. Anbarasu

Abstract:

Gene networks present a graphical view at the level of gene activities and genetic functions and help us to understand complex interactions in a meaningful manner. In the present study, we have analyzed the gene interaction of PPAR-γ (peroxisome proliferator-activated receptor gamma) by search tool for retrieval of interacting genes. We find PPAR-γ is highly networked by genetic interactions with 10 genes: RXRA (retinoid X receptor, alpha), PPARGC1A (peroxisome proliferator-activated receptor gamma, coactivator 1 alpha), NCOA1 (nuclear receptor coactivator 1), NR0B2 (nuclear receptor subfamily 0, group B, member 2), HDAC3 (histone deacetylase 3), MED1 (mediator complex subunit 1), INS (insulin), NCOR2 (nuclear receptor co-repressor 2), PAX8 (paired box 8), ADIPOQ (adiponectin) and it augurs well for the fact that obesity and several other metabolic disorders are inter related.

Keywords: Gene networks, NCOA1, PPARγ, PPARGC1A, RXRA.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4544
438 Improved Robust Stability Criteria of a Class of Neutral Lur’e Systems with Interval Time-Varying Delays

Authors: Longqiao Zhou, Zixin Liu, Shu Lü

Abstract:

This paper addresses the robust stability problem of a class of delayed neutral Lur’e systems. Combined with the property of convex function and double integral Jensen inequality, a new tripe integral Lyapunov functional is constructed to derive some new stability criteria. Compared with some related results, the new criteria established in this paper are less conservative. Finally, two numerical examples are presented to illustrate the validity of the main results.

Keywords: Lur’e system, Convex function, Jensen integral inequality, Triple-integral method, Exponential stability.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1517
437 Delay-Dependent Stability Criteria for Linear Time-Delay System of Neutral Type

Authors: Myeongjin Park, Ohmin Kwon, Juhyun Park, Sangmoon Lee

Abstract:

This paper proposes improved delay-dependent stability conditions of the linear time-delay systems of neutral type. The proposed methods employ a suitable Lyapunov-Krasovskii’s functional and a new form of the augmented system. New delay-dependent stability criteria for the systems are established in terms of Linear matrix inequalities (LMIs) which can be easily solved by various effective optimization algorithms. Numerical examples showed that the proposed method is effective and can provide less conservative results.

Keywords: Neutral systems, Time-delay, Stability, Lyapunovmethod, LMI.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1882
436 Positive Periodic Solutions for a Predator-prey Model with Modified Leslie-Gower Holling-type II Schemes and a Deviating Argument

Authors: Yanling Zhu, Kai Wang

Abstract:

In this paper, by utilizing the coincidence degree theorem a predator-prey model with modified Leslie-Gower Hollingtype II schemes and a deviating argument is studied. Some sufficient conditions are obtained for the existence of positive periodic solutions of the model.

Keywords: Predator-prey model, Holling II type functional response, positive periodic solution, coincidence degree theorem.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1462
435 Development of a Vegetation Searching System

Authors: Rattanathip Rattanachai, Kunyanuth Kularbphettong

Abstract:

This paper describes the development of a Vegetation Searching System based on Web Application in case of Suan Sunandha Rajabhat University. The model was developed by PHP, JavaScript and MySQL database system and it was designed to support searching for endemic and rare species of trees on Web site. We describe the design methods and functional components of this prototype. To evaluate the system performance, questionnaires for the system usability and Black Box Testing were used to measure expert and user satisfaction. The results were satisfactory as followed: Means for experts and users were 4.30 and 4.50, and standard deviation for experts and users were 0.61and 0.73 respectively. Further analysis showed that the quality of the plant searching Website was also at a good level as well.

Keywords: Endemic species, Vegetation, Web based System, and Black Box Testing.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1746
434 Building an e-Learning System Model with Implications for Research and Instructional Use

Authors: Kuan-Chou Chen, Keh-Wen “Carin” Chuang

Abstract:

This paper demonstrates a model of an e-Learning system based on nowadays learning theory and distant education practice. The relationships in the model are designed to be simple and functional and do not necessarily represent any particular e- Learning environments. It is meant to be a generic e-Learning system model with implications for any distant education course instructional design. It allows online instructors to move away from the discrepancy between the courses and body of knowledge. The interrelationships of four primary sectors that are at the e-Learning system are presented in this paper. This integrated model includes [1] pedagogy, [2] technology, [3] teaching, and [4] learning. There are interactions within each of these sectors depicted by system loop map.

Keywords: e-Learning system, online courses instructionaldesign, integrated model, interrelationships.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1517
433 An Integrated Biotechnology Database of the National Agricultural Information Center in Korea

Authors: Chang Kug Kim, Dong Suk Park, Young Joo Seol, Jang Ho Hahn

Abstract:

The National Agricultural Biotechnology Information Center (NABIC) plays a leading role in the biotechnology information database for agricultural plants in Korea. Since 2002, we have concentrated on functional genomics of major crops, building an integrated biotechnology database for agro-biotech information that focuses on bioinformatics of major agricultural resources such as rice, Chinese cabbage, and microorganisms. In the NABIC, integration-based biotechnology database provides useful information through a user-friendly web interface that allows analysis of genome infrastructure, multiple plants, microbial resources, and living modified organisms.

Keywords: biotechnology, database, genome information

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2560
432 C4H6 Adsorption on the Surface of a BN Nanotube: DFT Studies

Authors: Maziar Noei

Abstract:

Adsorption of a boron nitride nanotube (BNNT) was examined toward ethylacetylene (C4H6) molecule by using density functional theory (DFT) calculations at the B3LYP/6-31G (d) level, and it was found that the adsorption energy (Ead) of ethylacetylene the pristine nanotubes is about -1.60kcal/mol. But when nanotube has been doped with Si and Al atoms, the adsorption energy of ethylacetylene molecule was increased. Calculation showed that when the nanotube is doping by Al, the adsorption energy is about - 24.19kcal/mol and also the amount of HOMO/LUMO energy gap (Eg) will reduce significantly. Boron nitride nanotube is a suitable adsorbent for ethylacetylene and can be used in separation processes ethylacetylene. It is seem that nanotube (BNNT) is a suitable semiconductor after doping, and the doped BNNT in the presence of ethylacetylene an electrical signal is generating directly and therefore can potentially be used for ethylacetylene sensors.

Keywords: Sensor, Nanotube, DFT, Ethylacetylene.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2572
431 Theoretical Calculation of Electrical and Optical Properties of BaZrO3

Authors: Leyla Safaie Kouchaksaraie

Abstract:

In this project electrical and optical properties of BaZrO3 have been accomplished through the full-potential linear augmented plane wave (FP-LAPW) by applying Wein2k software. In this study band structure, density of state, gap energy, refractive index and optical conduction have been studied. The results of calculations show that BaZrO3 is an insulator with an indirect gap in which 3.2 ev and studied refractive index equal 2.07. These results are in accordance with the ones obtained in experimental researches.

Keywords: Density Functional Theory (DFT), Full PotentialLinearized Augmented Plane Wave (Fp-LAPW), GeneralizedGradient Approximation (GGA), Linearized Augmented Plane Wave(LAPW), Local Density Approximation (LDA)

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2149