Search results for: Jianbo. Wang
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 669

Search results for: Jianbo. Wang

429 New Approaches on Exponential Stability Analysis for Neural Networks with Time-Varying Delays

Authors: Qingqing Wang, Baocheng Chen, Shouming Zhong

Abstract:

In this paper, utilizing the Lyapunov functional method and combining linear matrix inequality (LMI) techniques and integral inequality approach (IIA) to study the exponential stability problem for neural networks with discrete and distributed time-varying delays.By constructing new Lyapunov-Krasovskii functional and dividing the discrete delay interval into multiple segments,some new delay-dependent exponential stability criteria are established in terms of LMIs and can be easily checked.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, Exponential stability, LMI approach, Time-varying delays.

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428 A Multi-objective Fuzzy Optimization Method of Resource Input Based on Genetic Algorithm

Authors: Tao Zhao, Xin Wang

Abstract:

With the increasing complexity of engineering problems, the traditional, single-objective and deterministic optimization method can not meet people-s requirements. A multi-objective fuzzy optimization model of resource input is built for M chlor-alkali chemical eco-industrial park in this paper. First, the model is changed into the form that can be solved by genetic algorithm using fuzzy theory. And then, a fitness function is constructed for genetic algorithm. Finally, a numerical example is presented to show that the method compared with traditional single-objective optimization method is more practical and efficient.

Keywords: Fitness function, genetic algorithm, multi-objectivefuzzy optimization, satisfaction degree membership function.

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427 Breast Motion and Discomfort of Chinese Women in Three Breast Support Conditions

Authors: X.N. Chen, J.P. Wang, D. Jiang, S.M. Shen, Y.K. Yang

Abstract:

Breast motion and discomfort has been studied in Australia, Britain and the United States, while little information was known about the breast motion conditions of Chinese women. The aim of this paper was to study the breast motion and discomfort of Chinese women in no bra condition, daily bra condition and sports bra condition. Breast motion and discomfort of 8 participants was assessed during walking at 5km h-1 and running at 10km h-1. Statistical methods were used to analyze the difference and relationship between breast displacement, perceived breast motion and breast discomfort. Three indexes were developed to evaluate the functions of bras on reducing objective breast motion, subjective breast motion and breast discomfort. The result showed that breast motion of Chinese women was smaller than previous research, which may be resulted from smaller breast size in Asian women.

Keywords: Breast discomfort, breast motion, breast support conditions, Chinese women.

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426 The Establishment of RELAP5/SNAP Model for Kuosheng Nuclear Power Plant

Authors: C. Shih, J. R. Wang, H. C. Chang, S. W. Chen, S. C. Chiang, T. Y. Yu

Abstract:

After the measurement uncertainty recapture (MUR) power uprates, Kuosheng nuclear power plant (NPP) was uprated the power from 2894 MWt to 2943 MWt. For power upgrade, several codes (e.g., TRACE, RELAP5, etc.) were applied to assess the safety of Kuosheng NPP. Hence, the main work of this research is to establish a RELAP5/MOD3.3 model of Kuosheng NPP with SNAP interface. The establishment of RELAP5/SNAP model was referred to the FSAR, training documents, and TRACE model which has been developed and verified before. After completing the model establishment, the startup test scenarios would be applied to the RELAP5/SNAP model. With comparing the startup test data and TRACE analysis results, the applicability of RELAP5/SNAP model would be assessed.

Keywords: RELAP5, TRACE, SNAP, BWR.

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425 The Establishment of Probabilistic Risk Assessment Analysis Methodology for Dry Storage Concrete Casks Using SAPHIRE 8

Authors: J. R. Wang, W. Y. Cheng, J. S. Yeh, S. W. Chen, Y. M. Ferng, J. H. Yang, W. S. Hsu, C. Shih

Abstract:

To understand the risk for dry storage concrete casks in the cask loading, transfer, and storage phase, the purpose of this research is to establish the probabilistic risk assessment (PRA) analysis methodology for dry storage concrete casks by using SAPHIRE 8 code. This analysis methodology is used to perform the study of Taiwan nuclear power plants (NPPs) dry storage system. The process of research has three steps. First, the data of the concrete casks and Taiwan NPPs are collected. Second, the PRA analysis methodology is developed by using SAPHIRE 8. Third, the PRA analysis is performed by using this methodology. According to the analysis results, the maximum risk is the multipurpose canister (MPC) drop case.

Keywords: PRA, Dry storage, concrete cask, SAPHIRE.

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424 Limit State of Heterogeneous Smart Structures under Unknown Cyclic Loading

Authors: M. Chen, S-Q. Zhang, X. Wang, D. Tate

Abstract:

This paper presents a numerical solution, namely limit and shakedown analysis, to predict the safety state of smart structures made of heterogeneous materials under unknown cyclic loadings, for instance, the flexure hinge in the micro-positioning stage driven by piezoelectric actuator. In combination of homogenization theory and finite-element method (FEM), the safety evaluation problem is converted to a large-scale nonlinear optimization programming for an acceptable bounded loading as the design reference. Furthermore, a general numerical scheme integrated with the FEM and interior-point-algorithm based optimization tool is developed, which makes the practical application possible.

Keywords: Limit state, shakedown analysis, homogenization, heterogeneous structure.

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423 The Impact of Grammatical Differences on English-Mandarin Chinese Simultaneous Interpreting

Authors: Miao Sabrina Wang

Abstract:

This paper examines the impact of grammatical differences on simultaneous interpreting from English into Mandarin Chinese by drawing upon an empirical study of professional and student interpreters. The research focuses on the effects of three grammatical categories including passives, adverbial components and noun phrases on simultaneous interpreting. For each category, interpretations of instances in which the grammatical structures are the same across the two languages are compared with interpretations of instances in which the grammatical structures differ across the two languages in terms of content accuracy and delivery appropriateness. The results indicate that grammatical differences have a significant impact on the interpreting performance of both professionals and students.

Keywords: Grammatical differences, simultaneous interpreting, content accuracy, delivery appropriateness.

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422 Review for Identifying Online Opinion Leaders

Authors: Yu Wang

Abstract:

Nowadays, Internet enables its users to share the information online and to interact with others. Facing with numerous information, these Internet users are confused and begin to rely on the opinion leaders’ recommendations. The online opinion leaders are the individuals who have professional knowledge, who utilize the online channels to spread word-of-mouth information and who can affect the attitudes or even the behavior of their followers to some degree. Because utilizing the online opinion leaders is seen as an important approach to affect the potential consumers, how to identify them has become one of the hottest topics in the related field. Hence, in this article, the concepts and characteristics are introduced, and the researches related to identifying opinion leaders are collected and divided into three categories. Finally, the implications for future studies are provided.

Keywords: Online opinion leaders, user attributes analysis, text mining analysis, network structure analysis.

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421 Using RASCAL Code to Analyze the Postulated UF6 Fire Accident

Authors: J. R. Wang, Y. Chiang, W. S. Hsu, S. H. Chen, J. H. Yang, S. W. Chen, C. Shih, Y. F. Chang, Y. H. Huang, B. R. Shen

Abstract:

In this research, the RASCAL code was used to simulate and analyze the postulated UF6 fire accident which may occur in the Institute of Nuclear Energy Research (INER). There are four main steps in this research. In the first step, the UF6 data of INER were collected. In the second step, the RASCAL analysis methodology and model was established by using these data. Third, this RASCAL model was used to perform the simulation and analysis of the postulated UF6 fire accident. Three cases were simulated and analyzed in this step. Finally, the analysis results of RASCAL were compared with the hazardous levels of the chemicals. According to the compared results of three cases, Case 3 has the maximum danger in human health.

Keywords: RASCAL, UF6, Safety, Hydrogen fluoride.

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420 Design of Multi-disease Diagnosis Processor using Hypernetworks Technique

Authors: Jae-Yeon Song, Seung-Yerl Lee, Kyu-Yeul Wang, Byung-Soo Kim, Sang-Seol Lee, Seong-Seob Shin, Jae-Young Choi, Chong Ho Lee, Jeahyun Park, Duck-Jin Chung

Abstract:

In this paper, we propose disease diagnosis hardware architecture by using Hypernetworks technique. It can be used to diagnose 3 different diseases (SPECT Heart, Leukemia, Prostate cancer). Generally, the disparate diseases require specified diagnosis hardware model for each disease. Using similarities of three diseases diagnosis processor, we design diagnosis processor that can diagnose three different diseases. Our proposed architecture that is combining three processors to one processor can reduce hardware size without decrease of the accuracy.

Keywords: Diagnosis processor, Hypernetworks, Leukemia, Mask, Prostate cancer, SPECT Heart data

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419 The Influence of Substrate Bias on the Mechanical Properties of a W- and S-containing DLC-based Solid-lubricant Film

Authors: Guojia Ma, Guoqiang Lin, Shuili Gong, Gang Sun, Dawang Wang

Abstract:

A diamond-like carbon (DLC) based solid-lubricant film was designed and DLC films were successfully prepared using a microwave plasma enhanced magnetron sputtering deposition technology. Post-test characterizations including Raman spectrometry, X-ray diffraction, nano-indentation test, adhesion test, friction coefficient test were performed to study the influence of substrate bias voltage on the mechanical properties of the W- and S-doped DLC films. The results indicated that the W- and S-doped DLC films also had the typical structure of DLC films and a better mechanical performance achieved by the application of a substrate bias of -200V.

Keywords: Adhesive Strength, Coefficient of Friction, Substrate Bias, W- and S-doped DLC film

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418 Research on the Predict Method of Random Vibration Cumulative Fatigue Damage Life Based on the Finite Element Analysis

Authors: Wang Chengcheng, Li Chuanri, Xu Fei, Guo Ying

Abstract:

Aiming at most of the aviation products are facing the problem of fatigue fracture in vibration environment, we makes use of the testing result of a bracket, analysis for the structure with ANSYS-Workbench, predict the life of the bracket by different ways, and compared with the testing result. With the research on analysis methods, make an organic combination of simulation analysis and testing, Not only ensure the accuracy of simulation analysis and life predict, but also make a dynamic supervision of product life process, promote the application of finite element simulation analysis in engineering practice.

Keywords: Random vibration, finite element simulation, fatigue, frequency domain.

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417 Nanofibrous Ion Exchangers

Authors: Jaromír Marek, Jakub Wiener, Yan Wang

Abstract:

The main goal of this study was to find simple and industrially applicable production of ion exchangers based on nanofibrous polystyrene matrix and characterization of prepared material. Starting polystyrene nanofibers were sulfonated and crosslinked under appropriate conditions at the same time by sulfuric acid. Strongly acidic cation exchanger was obtained in such a way. The polymer matrix was made from polystyrene nanofibers prepared by NanospiderTM technology.

Various types postpolymerization reactions and other methods of crosslinking were studied. Greatly different behavior between nano- and microsize materials was observed. The final nanofibrous material was characterized and compared to common granular ion exchangers and available microfibrous ion exchangers. The sorption properties of nanofibrous ion exchangers were compared with the granular ion exchangers. For nanofibrous ion exchangers of comparable ion exchange capacity was observed considerably faster adsorption kinetics.

Keywords: Electrospinning, ion exchangers, nanofibers, polystyrene.

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416 Selection of Rayleigh Damping Coefficients for Seismic Response Analysis of Soil Layers

Authors: Huai-Feng Wang, Meng-Lin Lou, Ru-Lin Zhang

Abstract:

One good analysis method in seismic response analysis is direct time integration, which widely adopts Rayleigh damping. An approach is presented for selection of Rayleigh damping coefficients to be used in seismic analyses to produce a response that is consistent with Modal damping response. In the presented approach, the expression of the error of peak response, acquired through complete quadratic combination method, and Rayleigh damping coefficients was set up and then the coefficients were produced by minimizing the error. Two finite element modes of soil layers, excited by 28 seismic waves, were used to demonstrate the feasibility and validity.

Keywords: Rayleigh damping, modal damping, damping coefficients, seismic response analysis.

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415 Thermoplastic Composites with Reduced Discoloration and Enhanced Fire-Retardant Property

Authors: Peng Cheng, Liqing Wei, Hongyu Chen, Ruomiao Wang

Abstract:

This paper discusses a light-weight reinforced thermoplastic (LWRT) composite with superior fire retardancy. This porous LWRT composite is manufactured using polyolefin, fiberglass, and fire retardant additives via a wet-lay process. However, discoloration of the LWRT can be induced by various mechanisms, which may be a concern in the building and construction industry. It is commonly understood that discoloration is strongly associated with the presence of phenolic antioxidant(s) and NOx. The over-oxidation of phenolic antioxidant(s) is probably the root-cause of the discoloration (pinking/yellowing). Hanwha Azdel, Inc. developed a LWRT with fire-retardant property of ASTM E84-Class A specification, as well as negligible discoloration even under harsh conditions. In addition, this thermoplastic material is suitable for secondary processing (e.g. compression molding) if necessary.

Keywords: Discoloration, fire-retardant, thermoplastic composites, wet-lay process.

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414 Spline Basis Neural Network Algorithm for Numerical Integration

Authors: Lina Yan, Jingjing Di, Ke Wang

Abstract:

A new basis function neural network algorithm is proposed for numerical integration. The main idea is to construct neural network model based on spline basis functions, which is used to approximate the integrand by training neural network weights. The convergence theorem of the neural network algorithm, the theorem for numerical integration and one corollary are presented and proved. The numerical examples, compared with other methods, show that the algorithm is effective and has the characteristics such as high precision and the integrand not required known. Thus, the algorithm presented in this paper can be widely applied in many engineering fields.

Keywords: Numerical integration, Spline basis function, Neural network algorithm

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413 Unified Gas-Kinetic Scheme for Gas-Particle Flow in Shock-Induced Fluidization of Particles Bed

Authors: Zhao Wang, Hong Yan

Abstract:

In this paper, a unified-gas kinetic scheme (UGKS) for the gas-particle flow is constructed. UGKS is a direct modeling method for both continuum and rarefied flow computations. The dynamics of particle and gas are described as rarefied and continuum flow, respectively. Therefore, we use the Bhatnagar-Gross-Krook (BGK) equation for the particle distribution function. For the gas phase, the gas kinetic scheme for Navier-Stokes equation is solved. The momentum transfer between gas and particle is achieved by the acceleration term added to the BGK equation. The new scheme is tested by a 2cm-in-thickness dense bed comprised of glass particles with 1.5mm in diameter, and reasonable agreement is achieved.

Keywords: Gas-particle flow, unified gas-kinetic scheme, momentum transfer, shock-induced fluidization.

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412 A New Proxy Signature Scheme As Secure As ElGamal Signature

Authors: Song Han, Elizabeth Chang, Jie Wang, Wanquan Liu

Abstract:

Proxy signature helps the proxy signer to sign messages on behalf of the original signer. It is very useful when the original signer (e.g. the president of a company) is not available to sign a specific document. If the original signer can not forge valid proxy signatures through impersonating the proxy signer, it will be robust in a virtual environment; thus the original signer can not shift any illegal action initiated by herself to the proxy signer. In this paper, we propose a new proxy signature scheme. The new scheme can prevent the original signer from impersonating the proxy signer to sign messages. The proposed scheme is based on the regular ElGamal signature. In addition, the fair privacy of the proxy signer is maintained. That means, the privacy of the proxy signer is preserved; and the privacy can be revealed when it is necessary.

Keywords: ElGamal signature, Proxy signature, Security, Hash function, Fair privacy.

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411 Evaluation of Aerodynamic Noise Generation by a Generic Side Mirror

Authors: Yiping Wang, Zhengqi Gu, Weiping Li, Xiaohui Lin

Abstract:

The aerodynamic noise radiation from a side view mirror (SVM) in the high-speed airflow is calculated by the combination of unsteady incompressible fluid flow analysis and acoustic analysis. The transient flow past the generic SVM is simulated with variable turbulence model, namely DES Detached Eddy Simulation and LES (Large Eddy Simulation). Detailed velocity vectors and contour plots of the time-varying velocity and pressure fields are presented along cut planes in the flow-field. Mean and transient pressure are also monitored at several points in the flow field and compared to corresponding experimentally data published in literature. The acoustic predictions made using the Ffowcs-Williams-Hawkins acoustic analogy (FW-H) and the boundary element (BEM).

Keywords: Aerodynamic noise, BEM, DES, FW-H acousticanalogy, LES

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410 Nearfield UWB Pulse Array Beamformer based on Multirate Filter Bank

Authors: Min Wang , Shuyuan Yang

Abstract:

The paper presents a method of designing ultrawide band (UWB) pulse array beamformer in the case of nearfield. Firstly the principle of space-time processing of UWB pulse array is discussed. The radical beampattern transform based on spherical coordinates is employed to solve the nearfield beamforming of UWB pulse array. The frequency invariant technology is considered for the frequency dependent beampattern of UWB pulse array. We use a multirate bank scheme of to implement the FI beamformer of UWB pulse array. By using multirate filters in each element channel, it can make the response of the UWB array to avoid distortion in the whole band. The simulation resultes are given to prove the efficiency and feasibility of this method.

Keywords: UWB pulse array, frequency invariant, multiratebank, nearfield beamformer, radical transform

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409 Flow Field Analysis of Submerged Horizontal Plate Type Breakwater

Authors: Ke Wang, Zhi-Qiang Zhang, Z. Chen

Abstract:

A submerged horizontal plate type breakwater is pointed out as an efficient wave protection device for cage culture in marine fishery. In order to reveal the wave elimination principle of this type breakwater, boundary element method is utilized to investigate this problem. The flow field and the trajectory of water particles are studied carefully. The flow field analysis shows that: the interaction of incident wave and adverse current above the plate disturbs the water domain drastically. This can slow down the horizontal velocity and vertical velocity of the water particles.

Keywords: boundary element method, plate type breakwater, flow field analysis

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408 Efficient Aggregate Signature Algorithm and Its Application in MANET

Authors: Daxing Wang, Jikai Teng

Abstract:

An aggregate signature scheme can aggregate n signatures on n distinct messages from n distinct signers into a single signature. Thus, n verification equations can be reduced to one. So the aggregate signature adapts to Mobile Ad hoc Network (MANET). In this paper, we propose an efficient ID-based aggregate signature scheme with constant pairing computations. Compared with the existing ID-based aggregate signature scheme, this scheme greatly improves the efficiency of signature communication and verification. In addition, in this work, we apply our ID-based aggregate sig- nature to authenticated routing protocol to present a secure routing scheme. Our scheme not only provides sound authentication and a secure routing protocol in ad hoc networks, but also meets the nature of MANET.

Keywords: Identity-based cryptography, Aggregate signature, Bilinear pairings, Authenticated routing scheme.

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407 XML Data Management in Compressed Relational Database

Authors: Hongzhi Wang, Jianzhong Li, Hong Gao

Abstract:

XML is an important standard of data exchange and representation. As a mature database system, using relational database to support XML data may bring some advantages. But storing XML in relational database has obvious redundancy that wastes disk space, bandwidth and disk I/O when querying XML data. For the efficiency of storage and query XML, it is necessary to use compressed XML data in relational database. In this paper, a compressed relational database technology supporting XML data is presented. Original relational storage structure is adaptive to XPath query process. The compression method keeps this feature. Besides traditional relational database techniques, additional query process technologies on compressed relations and for special structure for XML are presented. In this paper, technologies for XQuery process in compressed relational database are presented..

Keywords: XML, compression, query processing

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406 Characteristics of Speed Dispersion in Urban Expressway

Authors: Fujian Wang, Shubin Ruan, Meiwei Dai

Abstract:

Speed dispersion has tight relation to traffic safety. In this paper, several kinds of indicating parameters (the standard speed deviation, the coefficient of variation, the deviation of V85 and V15, the mean speed deviations, and the difference between adjacent car speeds) are applied to investigate the characteristics of speed dispersion, where V85 and V15 are 85th and 15th percentile speed, respectively. Their relationships are into full investigations and the results show that: there exists a positive relation (linear) between mean speed and the deviation of V85 and V15; while a negative relation (quadratic) between traffic flow and standard speed deviation. The mean speed deviation grows exponentially with mean speed while the absolute speed deviation between adjacent cars grows linearly with the headway. The results provide some basic information for traffic management.

Keywords: Headway, indicating parameters, speed dispersion, urban expressway.

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405 Managing HR Knowledge in a Large Privately Owned Enterprise: An Empirical Case Analysis

Authors: Cindy Wang-Cowham, Judy Ningyu Tang

Abstract:

The paper contributes towards the development of scarce literature on HR knowledge management. Drawing literature from knowledge management, the authors define the meaning of HR knowledge and propose that there are social mechanisms in organizations that facilitate the management and sharing of HR knowledge. Instead of investigating the subject in large multinational corporations, the present paper examines it in a large Chinese privately owned enterprise, which has an international standing. The main finding of the case analysis is that communication and feedback plays a pivotal role when managing HR knowledge. Social mechanisms can stimulate the communication and feedback between employees, thus facilitate knowledge exchange.

Keywords: HR knowledge, knowledge management, large privately owned enterprises, China.

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404 Controller Synthesis of Switched Positive Systems with Bounded Time-Varying Delays

Authors: Xinhui Wang, Xiuyong Ding

Abstract:

This paper addresses the controller synthesis problem of discrete-time switched positive systems with bounded time-varying delays. Based on the switched copositive Lyapunov function approach, some necessary and sufficient conditions for the existence of state-feedback controller are presented as a set of linear programming and linear matrix inequality problems, hence easy to be verified. Another advantage is that the state-feedback law is independent on time-varying delays and initial conditions. A numerical example is provided to illustrate the effectiveness and feasibility of the developed controller.

Keywords: Switched copositive Lyapunov functions, positive linear systems, switched systems, time-varying delays, stabilization.

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403 Web Log Mining by an Improved AprioriAll Algorithm

Authors: Wang Tong, He Pi-lian

Abstract:

This paper sets forth the possibility and importance about applying Data Mining in Web logs mining and shows some problems in the conventional searching engines. Then it offers an improved algorithm based on the original AprioriAll algorithm which has been used in Web logs mining widely. The new algorithm adds the property of the User ID during the every step of producing the candidate set and every step of scanning the database by which to decide whether an item in the candidate set should be put into the large set which will be used to produce next candidate set. At the meantime, in order to reduce the number of the database scanning, the new algorithm, by using the property of the Apriori algorithm, limits the size of the candidate set in time whenever it is produced. Test results show the improved algorithm has a more lower complexity of time and space, better restrain noise and fit the capacity of memory.

Keywords: Candidate Sets Pruning, Data Mining, ImprovedAlgorithm, Noise Restrain, Web Log

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402 Remote Rehabilitation Development Status in China–To Eliminate the Disabled People`s Space Obstacles

Authors: Ning Liu, Jue Wang, Zhe Li

Abstract:

The remote diagnosis and remote medical smoked to part. In China, in accordance with the requirements of different applications of remote diagnosis and Relates to the technical difference, which can be divided into special purpose remote diagnosis and treatment system, the remote will Referral system, remote medical consultation system, remote rehabilitation technology and remote operation technology. In this article, will introduce China for the special purpose of service remote diagnosis and treatment system and technology, including: China disabled status and virtual reality technology; China 's domestic family medical care system and China 's current situation of the development of telemedicine.

Keywords: China, Remote rehabilitation, The disabled people

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401 Using SNAP and RADTRAD to Establish the Analysis Model for Maanshan PWR Plant

Authors: J. R. Wang, H. C. Chen, C. Shih, S. W. Chen, J. H. Yang, Y. Chiang

Abstract:

In this study, we focus on the establishment of the analysis model for Maanshan PWR nuclear power plant (NPP) by using RADTRAD and SNAP codes with the FSAR, manuals, and other data. In order to evaluate the cumulative dose at the Exclusion Area Boundary (EAB) and Low Population Zone (LPZ) outer boundary, Maanshan NPP RADTRAD/SNAP model was used to perform the analysis of the DBA LOCA case. The analysis results of RADTRAD were similar to FSAR data. These analysis results were lower than the failure criteria of 10 CFR 100.11 (a total radiation dose to the whole body, 250 mSv; a total radiation dose to the thyroid from iodine exposure, 3000 mSv).

Keywords: RADionuclide, transport, removal, and dose estimation, RADTRAD, symbolic nuclear analysis package, SNAP, dose, PWR.

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400 Ab Initio Molecular Dynamics Simulations of Furfural at the Liquid-Solid Interface

Authors: Sanwu Wang, Hongli Dang, Wenhua Xue, Darwin Shields, Xin Liu, Friederike C. Jentoft, Daniel E. Resasco

Abstract:

The bonding configuration and the heat of adsorption of a furfural molecule on the Pd(111) surface were determined by ab initio density-functional-theory calculations. The dynamics of pure liquid water, the liquid-solid interface formed by liquid water and the Pd(111) surface, as well as furfural at the water-Pd interface, were investigated by ab initio molecular dynamics simulations at finite temperatures. Calculations and simulations suggest that the bonding configurations at the water-Pd interface promote decarbonylation of furfural.

Keywords: Ab initio molecular dynamics simulations, bio-fuels, density functional theory, liquid-solid interfaces.

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