Search results for: Zhao Gao

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

Procedia PDF Downloads 262

Authors: Yanmin Zhao, Siu Ming Yiu

Abstract:

To claim the ownership for an executable program is a non-trivial task. An emerging direction is to add a watermark to the program such that the watermarked program preserves the original program’s functionality and removing the watermark would heavily destroy the functionality of the watermarked program. In this paper, the first watermarking signature scheme with the watermark and the constraint function hidden in the symmetric key setting is constructed. The scheme uses well-known techniques of lattice trapdoors and a lattice evaluation. The watermarking signature scheme is unforgeable under the Short Integer Solution (SIS) assumption and satisfies other security requirements such as the unremovability security property.

Keywords: short integer solution (SIS) problem, symmetric-key setting, watermarking schemes, watermarked signatures

Procedia PDF Downloads 133

Authors: Yang Geng, Anqi Zhao

Abstract:

The misreading theory of Harold Bloom provides a new diachronic perspective as an approach to the consistency between rhetoric of digital technology, dynamic movement of digital images and uncertain meaning of text. Reinterpreting the diachroneity of 'intertextuality' in the context of misreading theory extended the range of the 'intermediality' of transmedia to the intense tension between digital images and symbolic images throughout history of images. With the analogy between six categories of revisionary ratios and six steps of digital transformation, digital rhetoric might be illustrated as a linear process reflecting dynamic, intensive relations between digital moving images and original static images. Finally, it was concluded that two-way framework of the rhetoric of transformation of digital images and reversed served as a renarrative structure to revive static images by reconnecting them with digital moving images.

Keywords: rhetoric, digital art, intermediality, misreading theory

Procedia PDF Downloads 258

Authors: Hassam Ahmed, Yuanzhi Liu, Yassine Selami, Wei Tao, Hui Zhao

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The purpose of this research is to develop a real time axial force measurement system for a smart bearing through the use of strain-gauges, whereby the data acquisition is performed by an Arduino microcontroller due to its easy manipulation and low-cost. The measured signal is acquired and then discretized using a Wheatstone Bridge and an Analog-Digital Converter (ADC) respectively. For bearing monitoring, a real time monitoring system based on Internet of things (IoT) and Bluetooth were developed. Experimental tests were performed on a bearing within a force range up to 600 kN. The experimental results show that there is a proportional linear relationship between the applied force and the output voltage, and the error R squared is within 0.9878 based on the regression analysis.

Keywords: bearing, force measurement, IoT, strain gauge

Procedia PDF Downloads 144

Authors: Wei-Zhao, Yannian-Bao, Xing-Fan, Lei-Cao

Abstract:

An isostatic pressing working cylinder automatic exhaust valve is designed. The finite element models of valve core and valve body under ultra-high pressure work environment are built to study the influence of interact of valve core and valve body to sealing performance. The contact stresses of metal sealing surface with different sizes are calculated and the automatic exhaust valve is optimized. The result of simulation and experiment shows that the sealing of optimized exhaust valve is more reliable and the service life is greatly improved. The optimized exhaust valve has been used in the warm isostatic pressing equipment.

Keywords: exhaust valve, sealing, ultra-high pressure, isostatic pressing

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Authors: Jie Bai, Yongsheng Gao, Shengxin Wang, Jie Zhao

Abstract:

Through the establishment of the elbow biomechanical model, it can provide theoretical guide for rehabilitation therapy on the upper limb of the human body. A biomechanical model of the elbow joint can be built by the connection of muscle force model and elbow dynamics. But there are many undetermined coefficients in the model like the optimal joint angle and optimal muscle force which are usually specified as the experimental parameters of other workers. Because of the individual differences, there is a certain deviation of the final result. To this end, the RMS value of the deviation between the actual angle and calculated angle is considered. A set of coefficients which lead to the minimum RMS value will be chosen to be the optimal parameters. The direct search method and the conjugacy search method are used to get the optimal parameters, thus the model can be more accurate and mode adaptability.

Keywords: elbow biomechanical model, RMS, direct search, conjugacy search

Procedia PDF Downloads 550

Authors: Yongkui Cui, Fengping Wang, Hailei Zhao, Muhammad Zubair Iqbal, Ziya Wang, Yan Li, Pengpeng LV

Abstract:

The novel 3D SnO cabbages self-assembled by nanosheets were successfully synthesized via template-free hydrothermal growth method under facile conditions.The XRD results manifest that the as-prepared SnO is tetragonal phase. The TEM and HRTEM results show that the cabbage nanosheets are polycrystalline structure consisted of considerable single-crystalline nanoparticles. Two typical Raman modes A1g=210 and Eg=112 cm-1 of SnO are observed by Raman spectroscopy. Moreover, galvanostatic cycling tests has been performed using the SnO cabbages as anode material of lithium ion battery and the electrochemical results suggest that the synthesized SnO cabbage structures are a promising anode material for lithium ion batteries.

Keywords: electrochemical property, hydrothermal synthesis, lithium ion battery, stannous oxide

Procedia PDF Downloads 462

Authors: Peihao Huang, Chun Zhao

Abstract:

Thin-film transistors(TFTs) have the advantages of low power consumption, short reaction time, and have high research value in the field of semiconductors, based on this reason, people have focused on gallium oxide-indium oxide thin-film transistors, a relatively common thin-film transistor, elaborated and analyzed his production process, "aqueous solution method", explained the purpose of each step of operation, and finally explored the influence of potassium ions doped in the channel layer on the electrical properties of the device, as well as the effect of oxygen vacancies on its switching ratio and memory, and summarized the conclusions.

Keywords: aqueous solution, oxygen vacancies, switch ratio, thin-film transistor(TFT)

Procedia PDF Downloads 117

Authors: Jing Zhao, Yoshiharu Ishikawa, Chuan Xiao, Kento Sugiura

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In order to analyze large-scale scientific data, research on data exploration and visualization has gained popularity. In this paper, we focus on the exploration and visualization of scientific simulation data, and define a spatial V-Optimal histogram for data summarization. We propose histogram construction algorithms based on a general binary hierarchical partitioning as well as a more specific one, the l-grid partitioning. For effective data summarization and efficient data visualization in scientific data analysis, we propose an optimal algorithm as well as a heuristic algorithm for histogram construction. To verify the effectiveness and efficiency of the proposed methods, we conduct experiments on the massive evacuation simulation data.

Keywords: simulation data, data summarization, spatial histograms, exploration, visualization

Procedia PDF Downloads 177

Authors: Xiaobing Liu, Bo Zhang, Xiaolong Zhao

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The square-dancing is one of the most popular new physical activities in China in recent years, which has become a hotspot of Chinese landscape research. This paper collects 749 news reports from four authoritative newspapers in Harbin for 3 years, and probes into the space use needs of participants and non-participants of square-dancing. In this paper, the research results are compared with the contents of three related planning and design codes in China, and some modification or supplementary suggestions are proposed from three aspects, such as decision-making process, total-quantity control, and site design. Different from the traditional research, this research does not use the data from interviews and the questionnaires, but uses the traditional media report content for analyzing. To some extent, it avoids the research result being excessively subjective, enhances objectivity and the authority.

Keywords: China, landscape, space design, square-dancing

Procedia PDF Downloads 267

Authors: Gong Kangming, Zhao Caiqi

Abstract:

High-rise special-shaped structure, such as main frame structure of the statues, is one of the structure forms in irregular structure widely used. Due to the complex shape of the statue structure, with a large aspect ratio, its wind load value and the overall mechanical properties are very different from the high-rise buildings with the general rules. The paper taking a certain 48 meters high main frame structure of the statue located in Shuangyashan City, Heilongjiang Province, static and dynamic properties are analyzed by the finite element software. Through static and dynamic analysis, it got a number of useful conclusions that have a certain reference value for the analysis and design of the future similar structure.

Keywords: a Buddhism goddess Guanyin body, wind load, dynamic analysis, bolster, node design

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Authors: Sun Ailu, Zhao Wanmin

Abstract:

In the process of rapid urbanization, old urban renewal is an important task in China's urban construction. This study, using status survey and Analytic Hierarchy Process (AHP) method, taking Chongqing of China as an example, puts forward the problems faced by the old urban area from the aspects of function, facilities and environment. Further, this study summarizes the types of the old urban area and proposes space renewal strategies for three typical old urban areas, such as old residential area, old factory and old market. These old urban areas are confronted with the problems of functional layout confounding, lack of infrastructure and poor living environment. At last, this paper proposes spatial strategies for urban renewal, which are hoped to be useful for urban renewal management in China.

Keywords: old urban renewal, renewal mode, renewal strategy, Chongqing, China

Procedia PDF Downloads 187

Authors: Chunxiao Wu, Dongyun Jiang, Tao Jiang, Luxia Xu, Qian Xu, Meng Zhao, Qin Zhu, Zhigang Guo, Jinlan Pan, Suning Chen

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The stability and evolution of human genetics depends on chromosomes (and chromosome-chromosome interactions). We wish to understand the spatial location of chromosomes in dividing cells in order to understand the relationship between chromosome-chromosome interactions and to further investigate the role of chromosomes and their impact on cell biological behavior. In this study, we explored the relative spatial positional relationships of chromosomes [t (9;22) and t (15;17)] in B-ALL cells by using the three-dimensions DNA in situ fluorescent hybridization (3D-FISH) method. The results showed that chromosomes [t (9;22) and t (15;17)] showed relatively stable spatial relationships. The relative stability of the spatial location of chromosomes in dividing cells may be relevant to disease.

Keywords: chromosome, human genetics, chromosome territory, 3D-FISH

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Authors: Junqi Zhao, Yongqiang Chen

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The preference for different conflict resolution styles are influenced by cultural background and power distance of two parties involving in conflict. This research put forward 7 hypotheses and tested the preference differences of the five conflict resolution styles between Chinese owner and contractor as well as the preference differences concerning the same style between two parties. The research sample includes 202 practitioners from construction enterprises in mainland China. Research result found that theories concerning conflict resolution styles could be applied in the Chinese construction industry. Some results of this research were not in line with former research, and this research also gave explanation to the differences from the characteristics of construction projects. Based on the findings, certain suggestions were made to serve as a guidance for managers to choose appropriate conflict resolution styles for a better handling of conflict.

Keywords: Chinese owner and contractor, conflict, construction project, conflict resolution styles

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Authors: Zhao Weijie, Lin Xinjian, Liu Xiaojuan, Li Lihua

Abstract:

The Howland current pump is widely used in bio-impedance measurement. Much attention has been focused on the output impedance of the Howland circuit. Here we focus on the maximum load of the Howland source and discuss the relationship between the circuit parameters at maximum load. We conclude that the signal input terminal of the feedback resistor should be as large as possible, but that the current-limiting resistor should be smaller. The op-amp saturation voltage should also be high. The bandwidth of the circuit is proportional to the bandwidth of the op-amp. The Howland current pump was simulated using multisim12. When the AD8066AR was selected as the op-amp, the maximum load was 11.5 kΩ, and the Howland current pump had a stable output ipp to 2mAp up to 200 kHz. However, with an OPA847 op-amp and a load of 6.3 kΩ, the output current was also stable, and the frequency was as high as 3 MHz.

Keywords: bio-impedance, improved Howland current pump, load characteristics, bioengineering

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Authors: Jisong Zhang, Yinghua Zhao

Abstract:

The present study investigated the mechanical properties and microstructure of Ultra-High Performance Concrete (UHPC) containing supplementary cementitious materials (SCMs), such as fly ash (FA) and silica fume (SF), and to verify the synergistic effect in the ternary system. On the basis of 30% fly ash replacement, the incorporation of either 10% SF or 20% SF show a better performance compared to the reference sample. The efficiency factor (k-value) was calculated as a synergistic effect to predict the compressive strength of UHPC with these SCMs. The SEM of micrographs and pore volume from BJH method indicate a high correlation with compressive strength. Further, an artificial neural networks model was constructed for prediction of the compressive strength of UHPC containing these SCMs.

Keywords: artificial neural network, fly ash, mechanical properties, ultra-high performance concrete

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Authors: Yufu Yin, Tao Lin, Shanghong Zhao, Zihang Zhu, Xuan Li, Wei Jiang, Qiurong Zheng, Hui Wang

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In this paper, a frequency-dependent and tunable phase shifter is proposed and numerically analyzed. The key devices are the dual-polarization binary phase shift keying modulator (DP-BPSK) and the fiber Bragg grating (FBG). The phase-frequency response of the FBG is employed to determine the frequency-dependent phase shift. The simulation results show that a linear phase shift of the recovered output microwave signal which depends on the frequency of the input RF signal is achieved. In addition, by adjusting the power of the RF signal, the full range phase shift from 0° to 360° can be realized. This structure shows the spurious free dynamic range (SFDR) of 70.90 dB·Hz^2/3 and 72.11 dB·Hz^2/3 under different RF powers.

Keywords: microwave photonics, phase shifter, spurious free dynamic range, frequency-dependent

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Authors: Tharini N. de Silva, Xiao Zhibo, Zhao Rui, Mao Kezhi

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Causal relation identification is a crucial task in information extraction and knowledge discovery. In this work, we present two approaches to causal relation identification. The first is a classification model trained on a set of knowledge-based features. The second is a deep learning based approach training a model using convolutional neural networks to classify causal relations. We experiment with several different convolutional neural networks (CNN) models based on previous work on relation extraction as well as our own research. Our models are able to identify both explicit and implicit causal relations as well as the direction of the causal relation. The results of our experiments show a higher accuracy than previously achieved for causal relation identification tasks.

Keywords: causal realtion extraction, relation extracton, convolutional neural network, text representation

Procedia PDF Downloads 736

Authors: Zhao Haoyue

Abstract:

Due to the combined effects of climate change, urban expansion, and population growth, various environmental issues, such as urban heat islands and pollution, arise. Therefore, reliable information on urban environmental climate is needed to address and mitigate the negative effects. The emergence of urban climate maps provides a practical basis for urban climate regulation and improvement. This article takes Shapingba District, Chongqing City, as an example to study the construction method of urban thermal environment climate maps based on GIS spatial analysis technology. The thermal load, ventilation potential analysis map, and thermal environment comprehensive analysis map were obtained. Based on the classification criteria obtained from the climate map, corresponding protection and planning mitigation measures have been proposed.

Keywords: urban climate, GIS, heat island analysis, urban thermal environment

Procedia PDF Downloads 114

Authors: Shuai Zhao, Shalendra D. Sharma, Jin Xu

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This research uses advanced machine learning models to learn a number of hypotheses regarding political executives. Specifically, it analyses the impact these powerful leaders have on economic growth by using leaders’ data from the Archigos database from 1835 to the end of 2015. The data is processed by the AutoGluon, which was developed by Amazon. Automated Machine Learning (AutoML) and AutoGluon can automatically extract features from the data and then use multiple classifiers to train the data. Use a linear regression model and classification model to establish the relationship between leaders and economic growth (GDP per capita growth), and to clarify the relationship between their characteristics and economic growth from a machine learning perspective. Our work may show as a model or signal for collaboration between the fields of statistics and artificial intelligence (AI) that can light up the way for political researchers and economists.

Keywords: comparative politics, political executives, leaders’ characteristics, artificial intelligence

Procedia PDF Downloads 86

Authors: Wen Po Cheng, Chen Zhao Feng, Ruey Fang Yu, Lin Jia Jun, Lin Ji Ye, Chen Yuan Wei

Abstract:

Humic acid was used as the removal target for evaluating the coagulation efficiency in this study. When the coagulant ions mix with a humic acid solution, a Fluorescence quenching effect may be observed conditionally. This effect can be described by Stern-Volmer linear equation which can be used for quantifying the quenching value (Kq) of the Fluorescence quenching effect. In addition, a Complex-Formation Titration (CFT) theory was conducted and the result was used to explain the electron-neutralization capability of the coagulant (AlCl₃) at different pH. The results indicated that when pH of the ACl₃ solution was between 6 and 8, fluorescence quenching effect obviously occurred. The maximum Kq value was found to be 102,524 at pH 6. It means that the higher the Kq value is, the better complex reaction between a humic acid and aluminum salts will be. Through the Kq value study, the optimum pH can be quantified when the humic acid solution is coagulated with aluminum ions.

Keywords: humic acid, fluorescence quenching effect, complex reaction, titration

Procedia PDF Downloads 578

Authors: Mao Zhaofang, Xu Yida, Fang Kan, Fu Enyuan, Zhao Zhao

Abstract:

Nowadays, last-mile distribution plays an increasingly important role in the whole industrial chain delivery link and accounts for a large proportion of the whole distribution process cost. Promoting the upgrading of logistics networks and improving the layout of final distribution points has become one of the trends in the development of modern logistics. Due to the discrete and heterogeneous needs and spatial distribution of customer demand, which will lead to a higher delivery failure rate and lower vehicle utilization, last-mile delivery has become a time-consuming and uncertain process. As a result, courier companies have introduced a range of innovative parcel storage facilities, including pick-up points and lockers. The introduction of pick-up points and lockers has not only improved the users’ experience but has also helped logistics and courier companies achieve large-scale economy. Against the backdrop of the COVID-19 of the previous period, contactless delivery has become a new hotspot, which has also created new opportunities for the development of collection services. Therefore, a key issue for logistics companies is how to design/redesign their last-mile distribution network systems to create integrated logistics and distribution networks that consider pick-up points and lockers. This paper focuses on the introduction of self-pickup facilities in new logistics and distribution scenarios and the heterogeneous demands of customers. In this paper, we consider two types of demand, including ordinary products and refrigerated products, as well as corresponding transportation vehicles. We consider the constraints associated with self-pickup points and lockers and then address the location-routing problem with self-pickup facilities and heterogeneous demands (LRP-PFHD). To solve this challenging problem, we propose a mixed integer linear programming (MILP) model that aims to minimize the total cost, which includes the facility opening cost, the variable transport cost, and the fixed transport cost. Due to the NP-hardness of the problem, we propose a hybrid adaptive large-neighbourhood search algorithm to solve LRP-PFHD. We evaluate the effectiveness and efficiency of the proposed algorithm by using instances generated based on benchmark instances. The results demonstrate that the hybrid adaptive large neighbourhood search algorithm is more efficient than MILP solvers such as Gurobi for LRP-PFHD, especially for large-scale instances. In addition, we made a comprehensive analysis of some important parameters (e.g., facility opening cost and transportation cost) to explore their impacts on the results and suggested helpful managerial insights for courier companies.

Keywords: city logistics, last-mile delivery, location-routing, adaptive large neighborhood search

Procedia PDF Downloads 80

Authors: Yaping Zhao, Yimin Zhang

Abstract:

In the present paper, the stationary random vibration of a uniform cantilever beam is investigated. Two types of damping mechanism, i.e. the external and internal viscous dampings, are taken into account simultaneously. The excitation form is the support motion, and it is ideal white. Because two type of damping mechanism are considered concurrently, the product of the modal damping ratio and the natural frequency is not a constant anymore. As a result, the infinite definite integral encountered in the process of computing the mean square response is more complex than that in the existing literature. One signal progress of this work is to have calculated these definite integrals accurately. The precise solution of the mean square response is thus obtained in the infinite series form finally. Numerical examples are supplied and the numerical outcomes acquired confirm the validity of the theoretical analyses.

Keywords: random vibration, cantilever beam, mean square response, white noise

Procedia PDF Downloads 384

Authors: Liang Zhao, Guangwen Wang, Guichang Liu

Abstract:

Constant potometer is an important component of pipeline anti-corrosion systems in the chemical industry. Based on Internet of Things (IoT) technology, Programmable Logic Controller (PLC) technology and database technology, this paper developed a set of a constant potometer remote monitoring management system. The remote monitoring and remote adjustment of the working status of the constant potometer are realized. The system has real-time data display, historical data query, alarm push management, user permission management, and supporting Web access and mobile client application (APP) access. The actual engineering project test results show the stability of the system, which can be widely used in cathodic protection systems.

Keywords: internet of things, pipe corrosion protection, potentiostat, remote monitoring

Procedia PDF Downloads 147

Authors: Yawen Xia, Rubi Yang, Jing Zhao

Abstract:

We examine the environmental, social, and governance (ESG) decision-making of companies during turbulent times like COVID-19. We find that firms’ ESG reputation risk comove with their industry and local peers, suggesting that managers may follow their industry and local counterparts in engaging in irresponsible activities. Moreover, the comovement in reputation risk is attenuated during the COVID-19 pandemic. Further analyses suggest that the reduction in comovement varies by state-level partisanship and death rate during the pandemic. Comovement in reputation risk declines more significantly in the Democratic states with stringent social distancing policies and in states with higher infection severity. Our findings suggest that social distancing provisions during COVID-19 may lead to a reduction in social activities and information sharing among enterprise managers.

Keywords: ESG, Covid, peer pressure, local comovement, orporate governance

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Authors: Mosab Alrashed, Wei Xu, Stephen Abineri, Yifan Zhao, Jörn Mehnen

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Thermographic inspection is a relatively new technique for Non-Destructive Testing (NDT) which has been gathering increasing interest due to its relatively low cost hardware and extremely fast data acquisition properties. This technique is especially promising in the area of rapid automated damage detection and quantification. In collaboration with a major industry partner from the aerospace sector advanced thermography-based NDT software for impact damaged composites is introduced. The software is based on correlation analysis of time-temperature profiles in combination with an image enhancement process. The prototype software is aiming to a) better visualise the damages in a relatively easy-to-use way and b) automatically and quantitatively measure the properties of the degradation. Knowing that degradation properties play an important role in the identification of degradation types, tests and results on specimens which were artificially damaged have been performed and analyzed.

Keywords: NDT, correlation analysis, image processing, damage, inspection

Procedia PDF Downloads 549

Authors: Hyeongbok Kim, Lingling Zhao, Xiaohong Su, Junjie Wang

Abstract:

The Bernoulli filter is a precise Bayesian filter for single target tracking based on the random finite set theory. The standard Bernoulli filter often underestimates the number of targets. This study proposes a Gaussian particle flow (GPF) Bernoulli filter employing particle flow to migrate particles from prior to posterior positions to improve the performance of the standard Bernoulli filter. By employing the particle flow filter, the computational speed of the Bernoulli filters is significantly improved. In addition, the GPF Bernoulli filter provides a more accurate estimation compared with that of the standard Bernoulli filter. Simulation results confirm the improved tracking performance and computational speed in two- and three-dimensional scenarios compared with other algorithms.

Keywords: Bernoulli filter, particle filter, particle flow filter, random finite sets, target tracking

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Authors: Zhao Pengcheng, Yin Siyuan

Abstract:

Fintech is the new hot topic of the 21st century, a discipline that combines financial theory with computer modelling. It can provide both digital analysis methods for investment banks and investment decisions for users. Given the variety of services available, it is necessary to provide a superior method of requirements elicitation to ensure that users' needs are addressed in the software development process. The accuracy of traditional software requirements elicitation methods is not sufficient, so this study attempts to use a multi-perspective based requirements heuristic framework. Methods such as interview and questionnaire combination, card sorting, and model driven are proposed. The collection results from PCA show that the new methods can better help with requirements elicitation. However, the method has some limitations and, there are some efficiency issues. However, the research in this paper provides a good theoretical extension that can provide researchers with some new research methods and perspectives viewpoints.

Keywords: requirement elicitation, FinTech, mobile application, survey, interview, model-driven

Procedia PDF Downloads 105

Authors: Junlong Shang, Zhengxian Chua, Hoongping Peh, Zhiye Zhao

Abstract:

Due to scarce land resources in Singapore, it is imperative to increase water storage capacities to meet the increasing demand of water to secure a sustainable development, which can be achieved in the underground by rock caverns. In this paper, a preliminary study on the effects of cavern span, height and radius on the cavern stability is presented to provide a guidance on the cavern construction in the context of Singapore. It is found that the radius of caverns should be around half of the span width (i.e., B/R=2) to reduce vertical displacement at the crown of cavern. The smaller the rock cover, the smaller displacement. The minimum rock thickness should be at least the same as the cavern span to eliminate excessive yielded element. Finally, rock support system is introduced to maintain the profile of caverns.

Keywords: cavern dimension, numerical modelling, sustainable development, underground rock cavern

Procedia PDF Downloads 322

Authors: Li Na Zhao, Arieh Warshel

Abstract:

The design of enzymes is an extremely challenging task, and this is also true for metalloenzymes. In the case of naturally evolved enzymes, one may consider the active site residues as the musicians in the enzyme orchestra, while the metal can be considered as their concertmaster. Together they catalyze reactions as if they performed a masterpiece written by nature. The Lactonase can be thought as a member of the amidohydrolase family, with two concertmasters, Fe and Zn, at its active site. It catalyzes the quorum sensing signal- N-acyl homoserine lactones (AHLs or N-AHLs)- by hydrolyzing the lactone ring. This process, known as quorum quenching, provides a strategy in the treatment of infectious diseases without introducing selection pressure. However, the activity of lactonase is metal-dependent, and this dependence hampers the clinic usage. In our study, we use the empirical valence bond (EVB) approach to evaluate the catalytic contributions decomposing them to electrostatic and other components.

Keywords: enzyme redesign, empirical valence bond, lactonase, quorum quenching

Procedia PDF Downloads 254