Part A: Nanoscience and Nanotechnology
Nanoscience and Nanotechnology Guest editor preface for the issue dedicated to the INFN-LNF conference on nanoscience and nanotechnology
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1A) 7
Istituto Nazionale di Fisica Nucleare Laboratori Nazionali di Frascati Via E. Fermi 40, 00044 Frascati, Italy
A general frame for modeling the electrical propagation along graphene nanoribbons, carbon nanotubes and metal nanowires
A Maffucci1, G Miano2
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1A) 8-14
1DIEI, University of Cassino and Southern Lazio, via G. Di Biasio 43, 03043 Cassino, Italy/INFN-LNF, Via E. Fermi 40, 00044, Frascati, Italy
2DIETI, University of Naples “Federico II”, via Claudio 21, 80125, Naples, Italy
A general frame is proposed to model the propagation of electrical signals along nano-interconnects, either made by carbon nanotubes, graphene nanoribbons or metal nanowires. In the typical operating conditions of the next generations of integrated circuits, the electrodynamics of the nano-interconnects may be conveniently described by means of a semi-classical transport model, based on the modified Boltzmann transport equation. From this model we derive here a generalized non-local dispersive Ohm’s law, which can be regarded as the constitutive equation for the material. From the knowledge of the conduction and valence subbands, it is possible to define an equivalent number of conducting channels, which affects the circuit parameters of such interconnects. The study of the dispersion introduced by the generalized Ohm’s law gives a clear explanation to the different propagation properties of nano-interconnects made by carbon materials and conventional metals.
S V Boroznin, E V Boroznina, I V Zaporotskova, O A Davletova, N P Polikarpova
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1A) 15-18
Volgograd State University, Volgograd 400062, str. Bogdanova, 32
All articles must contain an abstract. The abstract follows the addresses and should give readers concise information about the content of the article and indicate the main results obtained and conclusions drawn. As the abstract is not part of the text it should be complete in itself; no table numbers, figure numbers, references or displayed mathematical expressions should be included. It should be suitable for direct inclusion in abstracting services and should not normally exceed 200 words. The abstract should generally be restricted to a single paragraph. These pages provide you with instructions on how to use this word template to prepare your paper according to the required layout and style for CM&NT papers.
Adsorption of polyethylene, polypropylene, polyvinyl chloride monomer units on the single-walled carbon nanotube surface
I V Zaporotskova, А А Krutoyarov, N P Polikarpova
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1A) 19-22
Volgograd State University, Volgograd 400062, Universitetskii prospect, 100
The paper presents the results of research into the interaction mechanism between single-walled carbon nanotubes and most common polymers that results in the formation of stable polymer based nanotube reinforced composites. Nanotubes used as reinforcement provide strong as well as plastic polymer based nanocomposites that have a promising field of commercial application. The main characteristics of the interaction process between the nanotube (6, 6) and monomers of the polymers under study are defined. Calculations are performed by applying DFT method and B3LYP functional.
I V Zaporotskova, R V Shinkarev
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1A) 23-28
Volgograd State University, Volgograd, 400062, Universitetskii prospect, 100
The paper describes a chemical method for the fabrication of superfine polivinillpirrolidon based coating for doxorubicin-eluting polymer biliary stents. The optimal conditions for the fabrication were defined and the effectiveness of the coating when exposed to bile in static conditions was proved. The study found that the obtained drug-eluting coating reduces the process of bile crystallization on the sample polymer stent surface. The mechanism of “PVP- doxorubicin” stable adsorption complex formation was studied using quantum - chemical method DFT. A number of positions of doxorubicin molecule in respect to polyvinylpyrrolidone fragment were analyzed, and the basic characteristics of adsorption processes were defined. It was found that energetically more favorable interaction occurs via the doxorubicin molecule oxy group.
M D’Acunto1, 2, 3, A Cricenti1, M Luce1, S Dinarelli1
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1A) 29-34
1Istituto di Struttura della Materia, Consiglio Nazionale delle Ricerche, ISM-CNR, via Fosso del cavaliere, 100, I-00133, Roma, Italy
2Istituto di Scienza e Tecnologie dell’Informazione, Consglio Nazionale delle Ricerche, ISTI-CNR, via Moruzzi 1, I-56124, Pisa, Italy
3NanoICT laboratory, Area della Ricerca CNR, Pisa, Italy
Metal nanoshells composed by a dielectric core with a thin gold layer are stimulating growing interests due to the unique optical, electric and magnetic properties exhibited by the local field enhancement near the metal – dielectric core interface due to strong local plasmon resonance and the high tunability of such resonance as a function of shape and core-material. These unique characteristics have found promising applications in a wide range of areas, such as biosensing, optical communication and medicine. In this paper, we developed a theoretical and numerical simulation based on a near-field approach to study the possibility to identify nanoshells inside mouse cells. Taking advantage from the characteristic near-infrared transparency window of many biological systems, i.e. the low light absorption coefficient of biological systems between 750-1100nm, we show the possibility to identify and detect 100-150nm diameter gold nanoshells inside the animal cells.
Yu Shunin1, 2, S Bellucci2, Yu Zhukovskii1, V Gopeyenko3, N Burlutskaya3, T Lobanova-Shunina4
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1A) 35-42
1Institute of Solid State Physics, University of Latvia, Kengaraga Str. 8, LV-1063 Riga, Latvia
2INFN-Laboratori Nazionali di Frascati, Via Enrico Fermi 40, I-00044, Frascati-Rome, Italy
3ISMA University, 1 Lomonosov, Bld 6, LV-1019, Riga, Latvia
4Riga Technical University, Aviation Institute, 1 Lomonosov, Bld V, LV-1019, Riga, Latvia
Electromagnetic properties of nanocarbon systems are essential for the creation of various nanoelectronic devices. Our major attention is focused on CNTs, graphene nanostructures (e.g., GNR and GNF), graphene-based aerogels (GBA) and CNT-based aerogels (CNTBA) as the basis for high-speed nanoelectronics and prospective nanosensors. Special attention is paid to fundamental properties of CNTs, GNRs and various CNT-Me, GNR-Me, CNT-graphene interconnects. Nanosystems of 3D GBA and CNTBA are regarded as complicated systems made up of basic nanocarbon interconnected elements. Technological interest to contacts of CNTs or GNRs with other conducting elements in nanocircuits, FET-type nanodevices, GBA and CNTBA is the reason to estimate various interconnect resistances, which depend on chirality effects in the interconnects. Simulations of electromagnetic properties in interconnects have been performed to evaluate integral resistances, capacitances and impedances of various topologies (1D, 2D and 3D) in nanodevices, including their frequency properties (GHz&THz).
Part B: Operation Research: Modelling and Simulation
An improved adaptive weighted clustering algorithm based on time interval grade in Mobile Ad Hoc networks
Huyin Zhang1, Jing Wang1, 2, Fang Xu1, Ning Xu1, Zhiyong Wang1, Xuejun Zhou2, Haitao Lin2, Peng Yu2, Yuanyuan Zhou2
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 7-14
1Computer Institute of Wuhan University, Wuhan, Hubei province, China
2Department of Information and Network Technology, Electronic Engineering School, Naval University of Engineering, Wuhan, Hubei, China
Mobile Ad Hoc Networks (MANETs) are self-configuring dynamic networks of mobile devices connected by wireless links without any fixed infrastructure or centralized administration. In order to achieve stable clusters, the cluster-heads (CHs) maintaining the cluster should be stable with minimum re-affiliation times and number of changes on CHs, with maximal throughput of the clustering formation and maintenance. An improved adaptive weighted clustering algorithm based on time interval grade (IATIGWCA) in MANETs is proposed. Each node can be assigned an adaptive role and set its status value through their Hello messages in the formation procedure of clusters, and an appropriate CH of a cluster is elected by the calculation the total weight which comprising four factors: degree difference, average Euclidean distance, average relative speed and consumed battery power. In the maintenance procedure of clusters, the duration of clustering maintenance is set to 2 grades which are Little Time Slot and Big Time Slot in order to improve the efficiency of clustering and decrease the times of computation of the total weight of every node. The simulation results show that the selection of numbers of CHs and numbers of clusters in the stage of the formation of clusters is an optimal solution which brings higher throughput, less re-affiliation times, less number of changes on CHs and longer residence time of cluster in IATIGWCA than LID and WCA.
N Karatun1, S Khatjatouski2, A Statsenko2
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 15-17
1ISMA University, 1 Lomonosov Str., build. 6, LV-1019, Riga, Latvia
2Belarusian-Russian University, 43 Mir Avenue, Mogilev, 212000, Belarus
The mathematic model of force loads calculations of static constructions in the framework of Theoretical Mechanics course is presented. The software to visualize and analyse force loads of static constructions is created.
Application of the fiber image detection algorithm based on the Grey system theory and Directed graph
Xiaodong Wang1, Jianhui Yang2
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 18-22
1Department of Mathematics and Physics, Zhengzhou Institute of Aeronautical Industry Management, China
2School of Mathematics and Statistics, ZhouKou Normal University, Henan, China
After doing research on fiber image with low quality and the Grey prediction model, the Grey correlation degree, directed graph and existing edge detection algorithm, this article proposed a new edge detection algorithm to obtain complete and continuous edge and to improve the defects in traditional operators profiled fiber contour extraction, such as the discontinuous edge, the false edge. This article obtains the fiber outline firstly, and then the edge detection algorithm is applied to the adhesive fibers. Thus, filling algorithm and contour tracking algorithm are used to get the fibers' outer contour. After that applying the directed graph algorithm to edge detection and the complete edge is gained after the burr is eliminated. Proven by the experimental results, the proposed edge detection algorithm can overcome the defects of the conventional edge detection algorithm, such fracture as edge, false edge, etc.
Wei Liu1, 2, Cunchen Tang1, Fan Kang1
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 23-28
1International School of software, Wuhan University, Wuhan, Hubei, 430079, China
2Department of Information Engineering, Wuhan Business University, Wuhan, Hubei, 430056, China
User behavior analysis is important for both Web information retrieval technologies and commercial search engine algorithms. With the expansion of information data, the current search engine is facing some serious problems, such as limited storage space and computing power. The paper discussed the shortcomings and technical bottlenecks of the current traditional search engine. Then, in the understanding of search engine features and technical requirement, it improved the system by means of the cloud computing architecture. With the combination of the static analysis of user behaviour and real-time monitoring, real-time acquisition of Web log and user to access the context information of the page, the paper tested the whole system performance in the laboratory environment, demonstrated the superiority of the system by analysis of experimental data.
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 29-32
School of Computer and Information Engineering, Xinxiang University, Henan, China
International School of Software, Wuhan University, Wuhan, China
Due to large space demanding and time-consuming, as the Internet is large and complex, the detection and prevention of the worm has many engineering constraints factors, the classic graph theory algorithms cannot suitable for solving some problems in the large-scale network. Sub-graphs of vertices have a higher density of edges within them while a lower density of edges between sub-graphs. To solve large-scale network analysis, the method of using DFS network segmentation algorithm based on network topology was proposed by analyzing the study of graph depth-first search (Depth First Search, referred to as DFS) segmentation algorithm, and thus obtain a description of the network connectivity of undirected connected graph G (V, E).this provide a strong theoretical support for fast access network backbone node. The result of experiments shows that the proposed method is effective.
Feng Liu, Jing Wang
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 33-40
1ShiJiaZhuang University of Economics, He Bei Shi Jia Zhuang, 050000, China
Internet of Vehicles has great effect on improving the efficiency of the transportation system and driving safety. Communication process of Internet of Vehicles can be done adopting various wireless communication modes which include 3G, WLAN and WAVE. As each wireless communication mode has different traffic scene applicability and different communication effects, this paper proposed a selection method for wireless communication mode based on support vector machine. This method obtained learning samples which indicate the communication mode with best communication performance through simulation of various traffic scenes in OPENT Modeler. Through the study of support vector machine algorithm, this designed method can output the predicted result mode of wireless communication adaptively under unknown traffic scenes. The outstanding results show that the selection method based on support vector machine can accurately choose the optimal communication mode in Internet of vehicles.
XiaoBo Cao, ChengDong Xu, GuoChao Fan
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 41-48
Key Laboratory of Dynamics and Control of Flight Vehicle, Ministry of Education, Beijing
School of Aerospace Engineering, Beijing Institute of Technology, Beijing, China
The process of complicated products design has the characters of high complexity, long period and various requirement of resource. So a reasonable resource scheduling scheme has great significance to the design of complicated product, so as to shortening product development cycles and reducing the cost of product. Firstly, design task collaboration and scheduling features in three complicate product design process modes are discussed in terms of research results of collaboration design and Integration Design Environment (IDE). Secondly, Virtual Design Unit (VDU) is adopted to be taken as the basic task execute unit, VDU design is a complex product design, Furthermore, Design Task Scheduling Approach based Design Ability (DTSADA) is detailed stated by combining ACO and GA.. Finally, a design task scheduling case is demonstrated to validate the proposed approach.
Olexander Solomentsev, Oleksiy Zuiev, Maksym Zaliskyi, Ivan Yashanov
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 49-56
Aviation radioelectronic complexes department, National Aviation University, Komarova Av. 1, 03680, Kyiv, Ukraine
Two variants of diagnostics programs of radioelectronic equipment in exploitation systems are considered. Analytical formulas for calculation of efficiency indexes in the absence and presence of first and second kind errors are given.
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 57-61
School of Management, Harbin Institute of Technology, Harbin, China
This paper adopts artificial neural network (ANN) and two varieties of time series neural network to forecast the stock index of Chinese market. Daily close prices between 1999 and 2011 are tested. The ANN works as a benchmark. Its inputs include delayed price and technical indicators. Time series neural network with external input (NARX) outperforms the Time series neural network (NAR), and it works best when the delay is 8. Moreover, NARX has the best ability of the three. This is mainly resulted from the fact that it contains external data and the technical indicators while NAR does not. As a whole, the ANN and NARX models achieved satisfying results. They can be employed by practitioners to assist trading and by regulators for monitoring. The NARX will be improved when more external data imported.
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 62-65
1Xinxiang University, Henan, China
2International School of Software, Wuhan University, Wuhan, China
Au-Co alloy deposit was prepared by selecting the best component in the bath with citrate the deposit exhibited golden appearance and high percentage of coverage. Good hardness and improving anti-corrosion capability could be achieved by adding 3~4.5%Co element and little rare-earth element to the system, and micro-hardness could increase to 180~190Hv. Optimized bath has stable performance, good throwing power and good covering power. The Scanning Electron Microscope (SEM) illustrated that the deposit was smooth, compact and crystal was nice. It is suited for electrical production; decorative coating, advance electrodeposits and hard-gold depose sit.
Yun Ma, Hua Si
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 66-71
Xinxiang University, Henan, China
Mechanical tests and electron microscopy scanning tests were done and micro-structural parameters were quantitatively analyzed in order to study the essence of structural characteristics of Dredge Fills. After comparing the mechanical test results with the statistical results of microstructure parameters, it can be find that the transition stage of the stress-strain curve of dredge fill compression test is also the mutation stage of the curve of micro-structural parameters, and the same time, the micro-structural parameters of shear test soil samples under different axial strain were not linear variation with the axial strain increases and mutated in 10% to 15% axial strain. The analysis result shows that the structural mechanical properties of the dredge fill are subject to its microstructure, and mutation of mechanical test curve is a macroscopic manifestation of microscopic structure damage. The experimental results indicate that dredge fill has the basic mechanical properties of structural soil.
Jiahzu Zheng, Yehemin Gao
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 72-76
Jiangsu Nanjing Forestry University, 210037, China
Calculation of the forest land parcel surface area is vital to the confirmation, segmentation and assignment of forest ownership. Therefore, the method calculating irregular forest land parcel surface area, which is based on the principle of space triangle area calculation, establishes automatic extraction of irregular forest parcel boundary and structures Triangulated Irregular Network (TIN) model by interpolating feature points based on Thin Plate Spline (TPS) function. This paper expounds the feasibility of this method and complete calculation process. By experimental comparison, this method can reduce about four-fifths of field data collection effort in the case of no accuracy loss in calculating results. Simultaneously, this method extracts boundary automatically without manual drawing boundary lined, improves degree of automation in computing within the industry greatly.
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 77-79
Jiangsu Maritime Institute, Jiangsu, 211107, China
It is known to us all that in factors of determining shipbuilding cycle, ship assembly occupies an important position in shipbuilding. In traditional shipbuilding model, front-line workers conduct assembly according to the two-dimensional drawing of marine designer. They will make mistakes inattentively, which results in the waste of manpower and material resources. At the same time, the abstraction of drawing will tend to generate deviation in the communication system between designer and ship-owner because of no concrete model object. This paper adopted a kind of technology that could use three-dimensional entity form to express ship model and assembling process-ship virtual assembly technology. The combination of virtual reality technology and ship assembly technology revealed the insufficient and defect in design, which avoided the waste of manpower and material resources during practical assembly. Through the selection and comparison of virtual assembly, we could optimize assembly technology, thus to convenient for the learning and execution of front-liner workers, enhance shipbuilding efficiency and shorten shipbuilding cycle.
Fengquan Ji, Yuanyuan Jia
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 80-84
College of Architecture & Urban Planning, Anhui Jianzhu University, Anhui, 230022, China
This paper briefly summarized the concept of landscape ecology and ecological architecture and the current research status of ecological architecture both at home and abroad. It also analyzed ecological architecture system based on landscape ecology, and studied the construction of ecological architecture from the aspects of the construction of ecological architecture system and space structure. In addition, this paper reviewed with the green building demonstration in University of Logistics for instance.
Modelling and Simulation Modelling and simulation of relationship between internal cell temperature and apparent resistivity for lithium-ion battery
X B Hong, N Z Li, W W Yin, J H Feng, G X Liu
COMPUTER MODELLING & NEW TECHNOLOGIES 2015 19(1B) 85-91
College of mechanical and automotive engineering, South China University of Technology, Guangzhou, 510640 China
Safety problems caused by thermal runaway have been restricting the popularization and application of power lithium-ion battery (LIB). As Electrical Resistance Tomography (ERT) method can potentially detect the variations of internal cell apparent resistivity influenced by temperature, the simulation of the relationship between the internal cell temperature and apparent resistivity is presented to monitor the thermal circumstance inside LIB cell. Using the linear interpolation functions, the LIB model is built and meshed. The appropriate boundary conditions are imposed to simulate the cell virtual heating process and ERT process. During the simulations, the distributions of the apparent resistivity at different temperatures are given. It is found that the correlation of apparent resistivity and temperature is well fitted by quintic function. Meanwhile, the evaluation of quintic fit under cell discharge reveals a deviation of 6.2K between the cell core temperature and the surface temperatures. The presented method cannot only be applied in thermal balance management, life prediction and load control, but also afford a possible way for monitoring the health of separator structure of LIB.