Search results for: security functional testing

Authors: M. Zeghid, M. Machhout, L. Khriji, A. Baganne, R. Tourki

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With the fast evolution of digital data exchange, security information becomes much important in data storage and transmission. Due to the increasing use of images in industrial process, it is essential to protect the confidential image data from unauthorized access. In this paper, we analyze the Advanced Encryption Standard (AES), and we add a key stream generator (A5/1, W7) to AES to ensure improving the encryption performance; mainly for images characterised by reduced entropy. The implementation of both techniques has been realized for experimental purposes. Detailed results in terms of security analysis and implementation are given. Comparative study with traditional encryption algorithms is shown the superiority of the modified algorithm.

Keywords: Cryptography, Encryption, Advanced EncryptionStandard (AES), ECB mode, statistical analysis, key streamgenerator.

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Authors: S. Jungsuttiwong, R. Tarsang, S. Pansay, T. Yakhantip, V. Promarak, T. Sudyoadsuk, T. Kaewin, S. Saengsuwan, S. Namuangrak

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In this paper, four carbazole-based D-D-π-A organic dyes code as CCT2A, CCT3A, CCT1PA and CCT2PA were reported. A series of these organic dyes containing identical donor and acceptor group but different π-system. The effect of replacing of thiophene by phenyl thiophene as π-system on the physical properties has been focused. The structural, energetic properties and absorption spectra were theoretically investigated by means of Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT). The results show that nonplanar conformation due to steric hindrance in donor part (cabazolecarbazole unit) of dye molecule can prevent unfavorable dye aggregation. By means of the TD-DFT method, the absorption spectra were calculated by B3LYP and BHandHLYP to study the affect of hybrid functional on the excitation energy (Eg). The results revealed the increasing of thiophene units not only resulted in decreasing of Eg, but also found the shifting of absorption spectra to higher wavelength. TD-DFT/BHandHLYP calculated results are more strongly agreed with the experimental data than B3LYP functions. Furthermore, the adsorptions of CCT2A and CCT3A on the TiO2 anatase (101) surface were carried out by mean of the chemical periodic calculation. The result exhibit the strong adsorption energy. The calculated results provide our new organic dyes can be effectively used as dye for Dye Sensitized Solar Cell (DSC).

Keywords: Dye-Sensitized Solar cell, Carbarzole, TD-DFT, D-D-π-A organic dye

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Authors: Geon-Woo Kim, Do-Woo Kim, Jun-Ho Lee, Jin-Beon Hwang, Jong-Wook Han

Abstract:

As various mobile sensing technologies, remote control and ubiquitous infrastructure are developing and expectations on quality of life are increasing, a lot of researches and developments on home network technologies and services are actively on going, Until now, we have focused on how to provide users with high-level home network services, while not many researches on home network security for guaranteeing safety are progressing. So, in this paper, we propose an access control model specific to home network that provides various kinds of users with home network services up one-s characteristics and features, and protects home network systems from illegal/unnecessary accesses or intrusions.

Keywords: Home network security, RBAC, access control, authentication.

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Authors: L. Novakova-Marcincinova, J. Novak-Marcincin

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Paper presents knowledge about types of test in area of materials properties of selected methods of rapid prototyping technologies. In today used rapid prototyping technologies for production of models and final parts are used materials in initial state as solid, liquid or powder material structure. In solid state are used various forms such as pellets, wire or laminates. Basic range materials include paper, nylon, wax, resins, metals and ceramics. In Fused Deposition Modeling (FDM) rapid prototyping technology are mainly used as basic materials ABS (Acrylonitrile Butadiene Styrene), polyamide, polycarbonate, polyethylene and polypropylene. For advanced FDM applications are used special materials as silicon nitrate, PZT (Piezoceramic Material - Lead Zirconate Titanate), aluminium oxide, hydroxypatite and stainless steel.

Keywords: Rapid prototyping, materials, testing of materials.

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Authors: Hamdy M. Youssef, Eman A. Al-Lehaibi

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This paper presents an iteration method for the numerical solutions of a one-dimensional problem of generalized thermoelasticity with one relaxation time under given initial and boundary conditions. The thermoelastic material with variable properties as a power functional graded has been considered. Adomian’s decomposition techniques have been applied to the governing equations. The numerical results have been calculated by using the iterations method with a certain algorithm. The numerical results have been represented in figures, and the figures affirm that Adomian’s decomposition method is a successful method for modeling thermoelastic problems. Moreover, the empirical parameter of the functional graded, and the lattice design parameter have significant effects on the temperature increment, the strain, the stress, the displacement.

Keywords: Adomian, Decomposition Method, Generalized Thermoelasticity, algorithm, empirical parameter, lattice design.

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Authors: Yang Xu, Felix Bruns, Elizabeth Gonzalez, Shadi Traboulsi, Klaus Mott, Attila Bilgic

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Emergence of smartphones brings to live the concept of converged devices with the availability of web amenities. Such trend also challenges the mobile devices manufactures and service providers in many aspects, such as security on mobile phones, complex and long time design flow, as well as higher development cost. Among these aspects, security on mobile phones is getting more and more attention. Microkernel based virtualization technology will play a critical role in addressing these challenges and meeting mobile market needs and preferences, since virtualization provides essential isolation for security reasons and it allows multiple operating systems to run on one processor accelerating development and cutting development cost. However, virtualization benefits do not come for free. As an additional software layer, it adds some inevitable virtualization overhead to the system, which may decrease the system performance. In this paper we evaluate and analyze the virtualization performance cost of L4 microkernel based virtualization on a competitive mobile phone by comparing the L4Linux, a para-virtualized Linux on top of L4 microkernel, with the native Linux performance using lmbench and a set of typical mobile phone applications.

Keywords: L4 microkernel, virtualization overhead, mobilephone.

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Authors: Wenqin Wang, Shouming Zhong

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This paper presents the robust stability criteria for uncertain genetic regulatory networks with time-varying delays. One key point of the criterion is that the decomposition of the matrix ˜D into ˜D = ˜D1 + ˜D2. This decomposition corresponds to a decomposition of the delayed terms into two groups: the stabilizing ones and the destabilizing ones. This technique enables one to take the stabilizing effect of part of the delayed terms into account. Meanwhile, by choosing an appropriate new Lyapunov functional, a new delay-dependent stability criteria is obtained and formulated in terms of linear matrix inequalities (LMIs). Finally, numerical examples are presented to illustrate the effectiveness of the theoretical results.

Keywords: Genetic regulatory network, Time-varying delay, Uncertain system, Lyapunov-Krasovskii functional

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Authors: Bo Meng, Wei Wang

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Resistance of denial of service attacks is a key security requirement in voting protocols. Acquisti protocol plays an important role in development of internet voting protocols and claims its security without strong physical assumptions. In this study firstly Acquisti protocol is modeled in extended applied pi calculus, and then resistance of denial of service attacks is proved with ProVerif. The result is that it is not resistance of denial of service attacks because two denial of service attacks are found. Finally we give the method against the denial of service attacks.

Keywords: Applied pi calculus, protocol state, symbolic model, availability.

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Authors: Soheil Sobhanardakani, Seyed Vali Hosseini, Lima Tayebi

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The presence of heavy metals in the environment could constitute a hazard to food security and public health. These can be accumulated in aquatic animals such as fish. Samples of four popular brands of canned fish in the Iranian market (yellowfin tuna, common Kilka, Kawakawa and longtail tuna) were analyzed for level of Cr after wet digestion with acids using graphite furnace atomic absorption spectrophotometry. The mean concentrations for Cr in the different brands were: 2.57, 3.24, 3.16 and 1.65 μg/g for brands A, B, C and D respectively. Significant differences were observed in the Cr levels between all of the different brands of canned fish evaluated in this study. The Cr concentrations for the varieties of canned fishes were generally within the FAO/WHO, U.S. FDA and U.S. EPA recommended limits for fish.

Keywords: Heavy metals, essential metals, canned fish, food security.

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Authors: Anders Thorsèn, Behrooz Sangchoolie, Peter Folkesson, Ted Strandberg

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As more parts of the power grid become connected to the internet, the risk of cyberattacks increases. To identify the cybersecurity threats and subsequently reduce vulnerabilities, the common practice is to carry out a cybersecurity risk assessment. For safety classified systems and products, there is also a need for safety risk assessments in addition to the cybersecurity risk assessment to identify and reduce safety risks. These two risk assessments are usually done separately, but since cybersecurity and functional safety are often related, a more comprehensive method covering both aspects is needed. Some work addressing this has been done for specific domains like the automotive domain, but more general methods suitable for, e.g., Intelligent Distributed Grids, are still missing. One such method from the automotive domain is the Security-Aware Hazard Analysis and Risk Assessment (SAHARA) method that combines safety and cybersecurity risk assessments. This paper presents an approach where the SAHARA method has been modified to be more suitable for larger distributed systems. The adapted SAHARA method has a more general risk assessment approach than the original SAHARA. The proposed method has been successfully applied on two use cases of an intelligent distributed grid.

Keywords: Intelligent distribution grids, threat analysis, risk assessment, safety, cybersecurity.

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Authors: Maha Sharkas, Dahlia R. ElShafie, Nadder Hamdy

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Image watermarking has proven to be quite an efficient tool for the purpose of copyright protection and authentication over the last few years. In this paper, a novel image watermarking technique in the wavelet domain is suggested and tested. To achieve more security and robustness, the proposed techniques relies on using two nested watermarks that are embedded into the image to be watermarked. A primary watermark in form of a PN sequence is first embedded into an image (the secondary watermark) before being embedded into the host image. The technique is implemented using Daubechies mother wavelets where an arbitrary embedding factor α is introduced to improve the invisibility and robustness. The proposed technique has been applied on several gray scale images where a PSNR of about 60 dB was achieved.

Keywords: Image watermarking, Multimedia Security, Wavelets, Image Processing.

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Authors: Franco Frattolillo, Salvatore D'Onofrio

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This paper presents a watermarking protocol able to solve the well-known “customer-s right problem" and “unbinding problem". In particular, the protocol has been purposely designed to be adopted in a web context, where users wanting to buy digital contents are usually neither provided with digital certificates issued by certification authorities (CAs) nor able to autonomously perform specific security actions. Furthermore, the protocol enables users to keep their identities unexposed during web transactions as well as allows guilty buyers, i.e. who are responsible distributors of illegal replicas, to be unambiguously identified. Finally, the protocol has been designed so that web content providers (CPs) can exploit copyright protection services supplied by web service providers (SPs) in a security context. Thus, CPs can take advantage of complex services without having to directly implement them.

Keywords: Copyright protection, digital rights management, watermarkingprotocols.

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Authors: Ryuya Uda

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Nowadays, computer worms, viruses and Trojan horse become popular, and they are collectively called malware. Those malware just spoiled computers by deleting or rewriting important files a decade ago. However, recent malware seems to be born to earn money. Some of malware work for collecting personal information so that malicious people can find secret information such as password for online banking, evidence for a scandal or contact address which relates with the target. Moreover, relation between money and malware becomes more complex. Many kinds of malware bear bots to get springboards. Meanwhile, for ordinary internet users, countermeasures against malware come up against a blank wall. Pattern matching becomes too much waste of computer resources, since matching tools have to deal with a lot of patterns derived from subspecies. Virus making tools can automatically bear subspecies of malware. Moreover, metamorphic and polymorphic malware are no longer special. Recently there appears malware checking sites that check contents in place of users' PC. However, there appears a new type of malicious sites that avoids check by malware checking sites. In this paper, existing protocols and methods related with the web are reconsidered in terms of protection from current attacks, and new protocol and method are indicated for the purpose of security of the web.

Keywords: Information Security, Malware, Network Security, World Wide Web

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Authors: Manish Kumar

Abstract:

Reinforced cement concrete is getting extensively used for construction of different type of structures for the last one century. During this period, we have constructed many structures like buildings, bridges, industrial structures, pavement, water tanks etc. using this construction material. These structures have been created with huge investment of resources. It is essential to maintain those structures in functional condition. Since deterioration in RCC Structures is a common and natural phenomenon it is required to have a detailed plan, methodology for structural repair and rehabilitation shall be in place for dealing such issues. It is important to know exact reason of distress, type of distress and correct method of repair concrete structures. The different methods of repair are described in paper according to distress category which can be refereed for repair. Major finding of the study is that to protect our structure we need to have maintenance frequency and correct material to be chosen for repair. Also workmanship during repair needs to be taken utmost care for quality repair.

Keywords: Deterioration, functional condition, reinforced cement concrete, resources.

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Authors: P.Megala, T.V.Hymavathi

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Papaya and banana bars were developed incorporating inulin (IN) and fructooligosaccharides (FOS) (Liquid and Powder form) in various proportions. The control bars were standardized using 70% fruit pulp, 30% sugar, 0.3% citric acid while the treated bars were standardized with 70% fruit pulp, 15% sugar, 15% of IN and FOS and 0.3% citric acid. Among the various proportions tested, papaya bars with 90% FOS (Powder) + 10% IN and banana bars with 90% FOS (liquid) + 10% IN were sensorially best accepted. The study revealed that addition of IN and FOS improved the sensory scores. The Physico-chemical and proximatecomposition analysis revealed slight changes in brix°, total sugars, reducing sugars, nonreducing sugars, moisture, protein, fat, vitamin C, ash, iron, zinc, calcium and crude fibre between control and treated fruit bars. Further the glycemic index of papaya bar was reduced from 65 to 54 when treated with FOS and IN.

Keywords: Banana, fructooligosaccharides, functional fruit bars, inulin, papaya

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Authors: Blaise Fyama, Elie Museng, Grace Mukoma

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In this article we present a java implementation of video telephony using the SIP protocol (Session Initiation Protocol). After a functional analysis of the SIP protocol, we relied on the work of Italian researchers of University of Parma-Italy to acquire adequate libraries for the development of our own communication tool. In order to optimize the code and improve the prototype, we used, in an incremental approach, test techniques based on a static analysis based on the evaluation of the complexity of the software with the application of metrics and the number cyclomatic of Mccabe. The objective is to promote the emergence of local start-ups producing IP video in a well understood local context. We have arrived at the creation of a video telephony tool whose code is optimized.

Keywords: Static analysis, coding, complexity, mccabe metrics, Sip, uml.

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Authors: Faezzan Madli, Zamri Noranai, Md. Norrizam Mohamad Jaat, Hamidon Salleh, Mohammad Zainal Md Yusof

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Current air conditioning system is using refrigerant as the cooling medium. The main purpose of this study is to develop an air conditioning system using chill water as the cooling medium. In this system, chill water used to replace refrigerant as the cooling medium. This study is focus on the split type unit air conditioning system only. It will be involving some renovation on the indoor unit and freezer. The cooling capability of this system was validate by few series of testing, which conducted at standard 36m3 office room. Result of the testing found that 0.1 m3 of chill water is able to maintain the room temperature within standard up to 4 ~ 8 hours. It expected able to maintain room temperature up to 10 hour with some improvement.

Keywords: Chill water, air-condition, office room.

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Authors: Mayank Shakya, Soundra Pandian. K. K

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A linear feedback shift register (LFSR) is proposed which targets to reduce the power consumption from within. It reduces the power consumption during testing of a Circuit Under Test (CUT) at two stages. At first stage, Control Logic (CL) makes the clocks of the switching units of the register inactive for a time period when output from them is going to be same as previous one and thus reducing unnecessary switching of the flip-flops. And at second stage, the LFSR reorders the test vectors by interchanging the bit with its next and closest neighbor bit. It keeps fault coverage capacity of the vectors unchanged but reduces the Total Hamming Distance (THD) so that there is reduction in power while shifting operation.

Keywords: Linear Feedback Shift Register, Total Hamming Distance, Fault Coverage, Control Logic

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Authors: Sergio Pissanetzky

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The ability of the brain to organize information and generate the functional structures we use to act, think and communicate, is a common and easily observable natural phenomenon. In object-oriented analysis, these structures are represented by objects. Objects have been extensively studied and documented, but the process that creates them is not understood. In this work, a new class of discrete, deterministic, dissipative, host-guest dynamical systems is introduced. The new systems have extraordinary self-organizing properties. They can host information representing other physical systems and generate the same functional structures as the brain does. A simple mathematical model is proposed. The new systems are easy to simulate by computer, and measurements needed to confirm the assumptions are abundant and readily available. Experimental results presented here confirm the findings. Applications are many, but among the most immediate are object-oriented engineering, image and voice recognition, search engines, and Neuroscience.

Keywords: AI, artificial intelligence, complex system, object oriented, OO, refactoring.

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Authors: Emma K. Sales

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Durian is the flagship fruit of Mindanao and there is an abundance of several cultivars with many confusing identities/ names. The project was conducted to develop procedure for reliable and rapid detection and sorting of durian planting materials. Moreover, it is also aimed to establish specific genetic or DNA markers for routine testing and authentication of durian cultivars in question. The project developed molecular procedures for routine testing. SSR primers were also screened and identified for their utility in discriminating durian cultivars collected. Results of the study showed the following accomplishments: 1. Twenty (29) SSR primers were selected and identified based on their ability to discriminate durian cultivars, 2. Optimized and established standard procedure for identification and authentication of Durian cultivars 3. Genetic profile of durian is now available at Biotech Unit Our results demonstrate the relevance of using molecular techniques in evaluating and identifying durian clones. The most polymorphic primers tested in this study could be useful tools for detecting variation even at the early stage of the plant especially for commercial purposes. The process developed combines the efficiency of the microsatellites development process with the optimization of non-radioactive detection process resulting in a user-friendly protocol that can be performed in two (2) weeks and easily incorporated into laboratories about to start microsatellite development projects. This can be of great importance to extend microsatellite analyses to other crop species where minimal genetic information is currently available. With this, the University can now be a service laboratory for routine testing and authentication of durian clones.

Keywords: DNA, SSR Analysis, genotype, genetic diversity, cultivars.

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Authors: I. Paeglite, A. Paeglitis

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Paper presents a study about dynamic effects obtained from the dynamic load testing of the city highway bridges in Latvia carried out from 2005 to 2012. 9 prestressed concrete bridges and 4 composite bridges were considered. 11 of 13 bridges were designed according to the Eurocodes but two according to the previous structural codes used in Latvia (SNIP 2.05.03-84). The dynamic properties of the bridges were obtained by heavy vehicle passing the bridge roadway with different driving speeds and with or without even pavement. The obtained values of the Dynamic amplification factor (DAF) and the bridge natural frequency were analyzed and compared to the values of built-in traffic load models provided in Eurocode 1. The actual DAF values for even bridge pavement in the most cases are smaller than the value adopted in Eurocode 1. Vehicle speed for uneven pavements significantly influence Dynamic amplification factor values.

Keywords: Bridge, dynamic effects, load testing, dynamic amplification factor.

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Authors: YoHan Choi, HeeSuk Seo, SeungHwan Ju, SungHyu Han

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As currently various portable devices were launched, smart business conducted using them became common. Since smart business can use company-internal resources in an exlternal remote place, user authentication that can identify authentic users is an important factor. Commonly used user authentication is a method of using user ID and Password. In the user authentication using ID and Password, the user should see and enter authentication information him or her. In this user authentication system depending on the user’s vision, there is the threat of password leaks through snooping in the process which the user enters his or her authentication information. This study designed and produced a user authentication module using an actuator to respond to the snooping threat.

Keywords: Actuator, User Authentication, Security Evaluation.

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Authors: Y. Harold Robinson, M. Rajaram, E. Golden Julie, S. Balaji

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This paper describes the proficient way of choosing the cluster head based on dominating set algorithm in a wireless sensor network (WSN). The algorithm overcomes the energy deterioration problems by this selection process of cluster heads. Clustering algorithms such as LEACH, EEHC and HEED enhance scalability in WSNs. Dominating set algorithm keeps the first node alive longer than the other protocols previously used. As the dominating set of cluster heads are directly connected to each node, the energy of the network is saved by eliminating the intermediate nodes in WSN. Security and trust is pivotal in network messaging. Cluster head is secured with a unique key. The member can only connect with the cluster head if and only if they are secured too. The secured trust model provides security for data transmission in the dominated set network with the group key. The concept can be extended to add a mobile sink for each or for no of clusters to transmit data or messages between cluster heads and to base station. Data security id preferably high and data loss can be prevented. The simulation demonstrates the concept of choosing cluster heads by dominating set algorithm and trust evaluation using DSTE. The research done is rationalized.

Keywords: Wireless Sensor Networks, LEECH, EEHC, HEED, DSTE.

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Authors: Shunsuke Miyoshi, Yasuyuki Nogami, Takuya Kusaka, Nariyoshi Yamai

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Elliptic curve discrete logarithm problem(ECDLP) is one of problems on which the security of pairing-based cryptography is based. This paper considers Pollard’s rho method to evaluate the security of ECDLP on Barreto-Naehrig(BN) curve that is an efficient pairing-friendly curve. Some techniques are proposed to make the rho method efficient. Especially, the group structure on BN curve, distinguished point method, and Montgomery trick are well-known techniques. This paper applies these techniques and shows its optimization. According to the experimental results for which a large-scale parallel system with MySQL is applied, 94-bit ECDLP was solved about 28 hours by parallelizing 71 computers.

Keywords: Pollard’s rho method, BN curve, Montgomery multiplication.

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Authors: Sofia Stoica

Abstract:

In this paper, we use historical data to predict the stock price of a tech company. To this end, we use a dataset consisting of the stock prices over the past five years of 10 major tech companies: Adobe, Amazon, Apple, Facebook, Google, Microsoft, Netflix, Oracle, Salesforce, and Tesla. We implemented and tested three models – a linear regressor model, a k-nearest neighbor model (KNN), and a sequential neural network – and two algorithms – Multiplicative Weight Update and AdaBoost. We found that the sequential neural network performed the best, with a testing error of 0.18%. Interestingly, the linear model performed the second best with a testing error of 0.73%. These results show that using historical data is enough to obtain high accuracies, and a simple algorithm like linear regression has a performance similar to more sophisticated models while taking less time and resources to implement.

Keywords: Finance, machine learning, opening price, stock market.

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Authors: Andhe Dharani, P. S. Satyanarayana, Andhe Pallavi

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Considering payload, reliability, security and operational lifetime as major constraints in transmission of images we put forward in this paper a steganographic technique implemented at the physical layer. We suggest transmission of Halftoned images (payload constraint) in wireless sensor networks to reduce the amount of transmitted data. For low power and interference limited applications Turbo codes provide suitable reliability. Ensuring security is one of the highest priorities in many sensor networks. The Turbo Code structure apart from providing forward error correction can be utilized to provide for encryption. We first consider the Halftoned image and then the method of embedding a block of data (called secret) in this Halftoned image during the turbo encoding process is presented. The small modifications required at the turbo decoder end to extract the embedded data are presented next. The implementation complexity and the degradation of the BER (bit error rate) in the Turbo based stego system are analyzed. Using some of the entropy based crypt analytic techniques we show that the strength of our Turbo based stego system approaches that found in the OTPs (one time pad).

Keywords: Halftoning, Turbo codes, security, operationallifetime, Turbo based stego system.

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Authors: Tarig Mohamed Ahmed

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The usage of internet is rapidly increasing and the usage of mobile agent technology in internet environment has a great demand. The security issue one of main obstacles that restrict the mobile agent technology to spread. This paper proposes Secure-Image Mechanism (SIM) as a new mechanism to protect mobile agents against malicious hosts. . SIM aims to protect mobile agent by using the symmetric encryption and hash function in cryptography science. This mechanism can prevent the eavesdropping and alteration attacks. It assists the mobile agents to continue their journey normally incase attacks occurred.

Keywords: Agent protection, cryptography, mobile agent security.

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Authors: T. Zergoug, S.H. Abaidia, A. Nedjar, M. Y. Mokeddem

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Physical properties of uranium dinitride (UN2) were investigated in detail using first principle calculations based on density functional theory (DFT). To study the strong correlation effects due to 5f uranium valence electrons, the on-site coulomb interaction correction U via the Hubbard-like term (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard-U is strong like Young modulus but for others it is weakly noticeable such as bulk modulus. We noticed also that from U=7.5 eV, elastic results don’t agree with the cubic cell because of the C44 values which turn out to be negative.

Keywords: Ab initio, bulk modulus, DFT, DFT + U.

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Authors: R. C. J. Mphahlele, K. Bolton, H. Kasaini

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Empirical force fields and density functional theory (DFT) was used to study the binding energies and structures of methylamine on the surface of activated carbons (ACs). This is a first step in studying the adsorption of alkyl amines on the surface of functionalized ACs. The force fields used were Dreiding (DFF), Universal (UFF) and Compass (CFF) models. The generalized gradient approximation with Perdew Wang 91 (PW91) functional was used for DFT calculations. In addition to obtaining the aminecarboxylic acid adsorption energies, the results were used to establish reliability of the empirical models for these systems. CFF predicted a binding energy of -9.227 (kcal/mol) which agreed with PW91 at - 13.17 (kcal/mol), compared to DFF 0 (kcal/mol) and UFF -0.72 (kcal/mol). However, the CFF binding energies for the amine to ester and ketone disagreed with PW91 results. The structures obtained from all models agreed with PW91 results.

Keywords: Activated Carbons, Binding energy, DFT, Force fields.

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Authors: Bakhtiar Ul Haq, R. Ahmed, A. Shaari, Mazmira Binti Mohamed, Nisar Ali

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The capability of exploiting the electronic charge and spin properties simultaneously in a single material has made diluted magnetic semiconductors (DMS) remarkable in the field of spintronics. We report the designing of DMS based on zinc-blend ZnO doped with Cr impurity. The full potential linearized augmented plane wave plus local orbital FP-L(APW+lo) method in density functional theory (DFT) has been adapted to carry out these investigations. For treatment of exchange and correlation energy, generalized gradient approximations have been used. Introducing Cr atoms in the matrix of ZnO has induced strong magnetic moment with ferromagnetic ordering at stable ground state. Cr:ZnO was found to favor the short range magnetic interaction that reflect tendency of Cr clustering. The electronic structure of ZnO is strongly influenced in the presence of Cr impurity atoms where impurity bands appear in the band gap.

Keywords: ZnO, Density functional theory, Diluted magnetic semiconductors, Ferromagnetic materials, FP-L(APW+lo).

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