Search results for: Evolutionary Structural Optimization

Authors: Xiaowei Zhang, Min Xu, Saeid Habibi, Fengjun Yan, Ryan Ahmed

Abstract:

Recently, Electric Vehicles (EVs) have received extensive consideration since they offer a more sustainable and greener transportation alternative compared to fossil-fuel propelled vehicles. Lithium-Ion (Li-ion) batteries are increasingly being deployed in EVs because of their high energy density, high cell-level voltage, and low rate of self-discharge. Since Li-ion batteries represent the most expensive component in the EV powertrain, accurate monitoring and control strategies must be executed to ensure their prolonged lifespan. The Battery Management System (BMS) has to accurately estimate parameters such as the battery State-of-Charge (SOC), State-of-Health (SOH), and Remaining Useful Life (RUL). In order for the BMS to estimate these parameters, an accurate and control-oriented battery model has to work collaboratively with a robust state and parameter estimation strategy. Since battery physical parameters, such as the internal resistance and diffusion coefficient change depending on the battery state-of-life (SOL), the BMS has to be adaptive to accommodate for this change. In this paper, an extensive battery aging study has been conducted over 12-months period on 5.4 Ah, 3.7 V Lithium polymer cells. Instead of using fixed charging/discharging aging cycles at fixed C-rate, a set of real-world driving scenarios have been used to age the cells. The test has been interrupted every 5% capacity degradation by a set of reference performance tests to assess the battery degradation and track model parameters. As battery ages, the combined model parameters are optimized and tracked in an offline mode over the entire batteries lifespan. Based on the optimized model, a state and parameter estimation strategy based on the Extended Kalman Filter (EKF) and the relatively new Smooth Variable Structure Filter (SVSF) have been applied to estimate the SOC at various states of life.

Keywords: Lithium-Ion batteries, genetic algorithm optimization, battery aging test, and parameter identification.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1517

Authors: Lubna Eljabu, Mohammad Etemad, Stan Matwin

Abstract:

Port authorities have many challenges in congested ports to allocate their resources to provide a safe and secure loading/unloading procedure for cargo vessels. Selecting a destination port is the decision of a vessel master based on many factors such as weather, wavelength and changes of priorities. Having access to a tool which leverages Automatic Identification System (AIS) messages to monitor vessel’s movements and accurately predict their next destination port promotes an effective resource allocation process for port authorities. In this research, we propose a method, namely, Reference Route of Trajectory (RRoT) to assist port authorities in predicting inflow and outflow traffic in their local environment by monitoring AIS messages. Our RRo method creates a reference route based on historical AIS messages. It utilizes some of the best trajectory similarity measures to identify the destination of a vessel using their recent movement. We evaluated five different similarity measures such as Discrete Frechet Distance (DFD), Dynamic Time ´ Warping (DTW), Partial Curve Mapping (PCM), Area between two curves (Area) and Curve length (CL). Our experiments show that our method identifies the destination port with an accuracy of 98.97% and an f-measure of 99.08% using Dynamic Time Warping (DTW) similarity measure.

Keywords: Spatial temporal data mining, trajectory mining, trajectory similarity, resource optimization.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 661

Authors: Sujing Wang, Song Wang, Jian Zhang, Qiang Xu

Abstract:

Flaring emissions during abnormal operating conditions such as plant start-ups, shut-downs, and upsets in chemical process industries (CPI) are usually significant. Flare minimization can help to save raw material and energy for CPI plants, and to improve local environmental sustainability. In this paper, a systematic methodology based on plant-wide dynamic simulation is presented for CPI plant flare minimizations under abnormal operating conditions. Since off-specification emission sources are inevitable during abnormal operating conditions, to significantly reduce flaring emission in a CPI plant, they must be either recycled to the upstream process for online reuse, or stored somewhere temporarily for future reprocessing, when the CPI plant manufacturing returns to stable operation. Thus, the off-spec products could be reused instead of being flared. This can be achieved through the identification of viable design and operational strategies during normal and abnormal operations through plant-wide dynamic scheduling, simulation, and optimization. The proposed study includes three stages of simulation works: (i) developing and validating a steady-state model of a CPI plant; (ii) transiting the obtained steady-state plant model to the dynamic modeling environment; and refining and validating the plant dynamic model; and (iii) developing flare minimization strategies for abnormal operating conditions of a CPI plant via a validated plant-wide dynamic model. This cost-effective methodology has two main merits: (i) employing large-scale dynamic modeling and simulations for industrial flare minimization, which involves various unit models for modeling hundreds of CPI plant facilities; (ii) dealing with critical abnormal operating conditions of CPI plants such as plant start-up and shut-down. Two virtual case studies on flare minimizations for start-up operation (over 50% of emission savings) and shut-down operation (over 70% of emission savings) of an ethylene plant have been employed to demonstrate the efficacy of the proposed study.

Keywords: Flare minimization, large-scale modeling and simulation, plant shut-down, plant start-up.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1723

Authors: Faezeh Mosallat, Eric L. Bibeau, Tarek El Mekkawy

Abstract:

Parabolic solar trough systems have seen limited deployments in cold northern climates as they are more suitable for electricity production in southern latitudes. A numerical dynamic model is developed to simulate troughs installed in cold climates and validated using a parabolic solar trough facility in Winnipeg. The model is developed in Simulink and will be utilized to simulate a trigeneration system for heating, cooling and electricity generation in remote northern communities. The main objective of this simulation is to obtain operational data of solar troughs in cold climates and use the model to determine ways to improve the economics and address cold weather issues. In this paper the validated Simulink model is applied to simulate a solar assisted absorption cooling system along with electricity generation using Organic Rankine Cycle (ORC) and thermal storage. A control strategy is employed to distribute the heated oil from solar collectors among the above three systems considering the temperature requirements. This modelling provides dynamic performance results using measured meteorological data recorded every minute at the solar facility location. The purpose of this modeling approach is to accurately predict system performance at each time step considering the solar radiation fluctuations due to passing clouds. Optimization of the controller in cold temperatures is another goal of the simulation to for example minimize heat losses in winter when energy demand is high and solar resources are low. The solar absorption cooling is modeled to use the generated heat from the solar trough system and provide cooling in summer for a greenhouse which is located next to the solar field. The results of the simulation are presented for a summer day in Winnipeg which includes comparison of performance parameters of the absorption cooling and ORC systems at different heat transfer fluid (HTF) temperatures.

Keywords: Absorption cooling, parabolic solar trough, remote community, organic Rankine cycle.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3096

Authors: Ahmed Aljudaya, Derek Ingham, Lin Ma, Kevin Hughes, Mohammed Pourkashanian

Abstract:

Researchers, power companies, and state politicians have given concentrated solar power (CSP) much attention due to its capacity to generate large amounts of electricity whereas overcoming the intermittent nature of solar resources. The Linear Fresnel Reflector (LFR) is a well-known CSP technology type for being inexpensive, having a low land use factor, and suffering from low optical efficiency. The LFR was considered a cost-effective alternative option to the Parabolic Trough Collector (PTC) because of its simplistic design, and this often outweighs its lower efficiency. The LFR power plants commercially generate steam directly and indirectly in order to produce electricity with high technical efficiency and lower its costs. The purpose of this important analysis is to compare the annual performance of the Direct Steam Generation (DSG) and Indirect Steam Generation (ISG) of LFR power plants using molten salt and other different Heat Transfer Fluids (HTF) to investigate their technical and economic effects. A 50 MWe solar-only system is examined as a case study for both steam production methods in extreme weather conditions. In addition, a parametric analysis is carried out to determine the optimal solar field size that provides the lowest Levelized Cost of Electricity (LCOE) while achieving the highest technical performance. As a result of optimizing the optimum solar field size, the solar multiple (SM) is found to be between 1.2 – 1.5 in order to achieve as low as 9 Cent/KWh for the DSG of the LFR. In addition, the power plant is capable of producing around 141 GWh annually and up to 36% of the capacity factor, whereas the ISG produces less energy at a higher cost. The optimization results show that the DSG’s performance overcomes the ISG in producing around 3% more annual energy, 2% lower LCOE, and 28% less capital cost.

Keywords: Concentrated Solar Power, Levelized cost of electricity, Linear Fresnel reflectors, Steam generation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 159

Authors: Mehran Jamshidi, Naghmeh Yazdanfar, Masoud Nasri

Abstract:

In general architecture means the art of creating the space. Comprehensive and complete body which is created by a creative and purposeful thought to respond the human needs. Professionally, architecture is the are of designing and comprehensive planning of physical spaces that is created for human-s productivity. The purpose of architectural design is to respond the human needs which is appeared in physical frame. Human in response to his needs is always looking to achieve comfort. Throughout history of human civilization this relative comfort has been inspired by nature and assimilating the facility and natural achievement in the format of artifact patterns base on the nature, so that it is achieved in this comfort level and invention of these factors. All physical factors like regional, social and economical factors are made available to human in order to achieve a specific goal and are made to gain an ideal architecture to respond the functional needs and consider the aesthetics and elemental principles and pay attention to residents- comfort. In this study the Persian architecture with exploiting and transforming the energies into the requisite energies of architecture spaces and importing fuel products, utilities, etc, in order to achieve a relative comfort level will be investigated. In this paper the study of structural and physical specialties of traditional houses in desert regions and Central Plateau of Iran gave us this opportunity to being more familiar with important specialties of energy productivity in architecture body of traditional houses in these regions specially traditional houses of Kashan and in order to use these principles to create modern architectures in these regions.

Keywords: architecture principles, stable architecture, management, energy productivity, body, energy

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1974

Authors: Tingke Wu, Man Yuan

Abstract:

“National Territorial Planning (2016-2030)” was issued by the State Council of China in 2017. As an important initiative of putting it into effect, territorial planning at provincial level makes overall arrangement of territorial development, resources and environment protection, comprehensive renovation and security system construction. Hubei province, as the pivot of the “Rise of Central China” national strategy, is now confronted with great opportunities and challenges in territorial development, protection, and renovation. Territorial spatial pattern experiences long time evolution, influenced by multiple internal and external driving forces. It is not clear what are the main causes of its formation and what are effective ways of optimizing it. By analyzing land use data in 2016, this paper reveals present status of territory in Hubei. Combined with economic and social data and construction information, driving forces of territorial spatial pattern are then analyzed. Research demonstrates that the three types of territorial space aggregate distinctively. The four aspects of driving forces include natural background which sets the stage for main functions, population and economic factors which generate agglomeration effect, transportation infrastructure construction which leads to axial expansion and significant provincial strategies which encourage the established path. On this basis, targeted strategies for optimizing territory spatial pattern are then put forward. Hierarchical protection pattern should be established based on development intensity control as respect for nature. By optimizing the layout of population and industry and improving the transportation network, polycentric network-based development pattern could be established. These findings provide basis for Hubei Territorial Planning, and reference for future territorial planning in other provinces.

Keywords: Driving forces, Hubei, optimizing strategies, spatial pattern, territory.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 589

Authors: Nik Kamariah Nik-Mat, Noor Hasmini Abd-Ghani, Jamal Mohammed Esmail Al-Ekam

Abstract:

The Malaysian government had consistently revived its campaign for “Buy Malaysian Goods” from time to time. The purpose of the campaign is to remind consumers to be ethnocentric and patriotic when purchasing product and services. This is necessary to ensure high demand for local products and services compared to foreign products. However, the decline of domestic investment in 2012 has triggered concern for the Malaysian economy. Hence, this study attempts to determine the drivers of actual purchasing behavior, intention to purchase domestic products and ethnocentrism. The study employs the cross-sectional primary data, self-administered on household, selected using stratified random sampling in four Malaysian regions. A nine factor driver of actual domestic purchasing behavior (culture openness, conservatism, collectivism, patriotism, control belief, interest in foreign travel, attitude, ethnocentrism and intention) were measured utilizing 60 items, using 7-point Likertscale. From 1000 questionnaires distributed, a sample of 486 were returned representing 48.6 percent response rate. From the fit generated structural model (SEM analysis), it was found that the drivers of actual purchase behavior are collectivism, cultural openness and patriotism; the drivers of intention to purchase domestic product are attitude, control belief, collectivism and conservatism; and drivers of ethnocentrism are cultural openness, control belief, foreign travel and patriotism. It also shows that Malaysian consumers scored high in ethnocentrism and patriotism. The findings are discussed in the perspective of its implication to Malaysian National Agenda.

Keywords: Actual purchase, ethnocentrism, culture openness, conservatism, collectivism, patriotism.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3119

Authors: Berna Istegun, Erkan Celebi

Abstract:

The main objective of this experimental study is to assess the shear strength and the crack behavior of the triplets built of perforated brickwork masonry elements. In order to observe the influence of shear resistance and energy dissipating before and after retrofitting applications by using the reinforcing system, static-cyclic shear tests were employed in the structural mechanics laboratory of Sakarya University. The reinforcing system is composed of hybrid multiaxial seismic fabric consisting of alkali resistant glass and polypropylene fibers. The plaster as bonding material used in the specimen’s retrofitting consists of expanded glass granular. In order to acquire exact measuring data about the failure behavior of the two mortar joints under shear stressing, vertical load-controlled cylinder having force capacity of 50 kN and loading rate of 1.5 mm/min. with an internal inductive displacement transducers is carried out perpendicular to the triplet specimens. In this study, a total of six triplet specimens with textile reinforcement were prepared for these shear bond tests. The three of them were produced as single-sided reinforced triplets with seismic fabric, while the others were strengthened on both sides. In addition, three triplet specimens without retrofitting and plaster were also tested as reference samples. The obtained test results were given in the manner of force-displacement relationships, ductility coefficients and shear strength parameters comparatively. It is concluded that two-side seismic textile applications on masonry elements with relevant plaster have considerably increased the sheer force resistance and the ductility capacity.

Keywords: Triplet shears tests, retrofitting, seismic fabric, perforated brickwork, expanded glass granular.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1270

Authors: Huan-Chieh Chiu, Hung-Shuo Wu, Chien-Hao Wang, Yu-Cheng Yang, Ching-Ya Tseng, Joe-Air Jiang

Abstract:

Power failure resulting from tower collapse due to violent seismic events might bring enormous and inestimable losses. The Chi-Chi earthquake, for example, strongly struck Taiwan and caused huge damage to the power system on September 21, 1999. Nearly 10% of extra high voltage (EHV) transmission towers were damaged in the earthquake. Therefore, seismic hazards of EHV transmission towers should be monitored and evaluated. The ultimate goal of this study is to establish a damage level assessment model for EHV transmission towers. The data of earthquakes provided by Taiwan Central Weather Bureau serve as a reference and then lay the foundation for earthquake simulations and analyses afterward. Some parameters related to the damage level of each point of an EHV tower are simulated and analyzed by the data from monitoring stations once an earthquake occurs. Through the Fourier transform, the seismic wave is then analyzed and transformed into different wave frequencies, and the data would be shown through a response spectrum. With this method, the seismic frequency which damages EHV towers the most is clearly identified. An estimation model is built to determine the damage level caused by a future seismic event. Finally, instead of relying on visual observation done by inspectors, the proposed model can provide a power company with the damage information of a transmission tower. Using the model, manpower required by visual observation can be reduced, and the accuracy of the damage level estimation can be substantially improved. Such a model is greatly useful for health and construction monitoring because of the advantages of long-term evaluation of structural characteristics and long-term damage detection.

Keywords: Smart grid, EHV transmission tower, response spectrum, damage level monitoring.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1049

Authors: Victor Maldonado

Abstract:

Recent concerns of the growing impact of aviation on climate change has prompted the emergence of a field referred to as Sustainable or “Green” Aviation dedicated to mitigating the harmful impact of aviation related CO2 emissions and noise pollution on the environment. In the current paper, a unique “green” business jet aircraft called the TransAtlantic was designed (using analytical formulation common in conceptual design) in order to show the feasibility for transatlantic passenger air travel with an aircraft weighing less than 10,000 pounds takeoff weight. Such an advance in fuel efficiency will require development and integration of advanced and emerging aerospace technologies. The TransAtlantic design is intended to serve as a research platform for the development of technologies such as active flow control. Recent advances in the field of active flow control and how this technology can be integrated on a sub-scale flight demonstrator are discussed in this paper. Flow control is a technique to modify the behavior of coherent structures in wall-bounded flows (over aerodynamic surfaces such as wings and turbine nozzles) resulting in improved aerodynamic cruise and flight control efficiency. One of the key challenges to application in manned aircraft is development of a robust high-momentum actuator that can penetrate the boundary layer flowing over aerodynamic surfaces. These deficiencies may be overcome in the current development and testing of a novel electromagnetic synthetic jet actuator which replaces piezoelectric materials as the driving diaphragm. One of the overarching goals of the TranAtlantic research platform include fostering national and international collaboration to demonstrate (in numerical and experimental models) reduced CO2/ noise pollution via development and integration of technologies and methodologies in design optimization, fluid dynamics, structures/ composites, propulsion, and controls.

Keywords: Aircraft Design, Sustainable “Green” Aviation, Active Flow Control, Aerodynamics.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2513

Authors: Zhenzhen Xu, Chunfu Shao, Shengyou Wang, Chunjiao Dong

Abstract:

To improve the satisfaction of residents' travel, this paper analyzes the characteristics and influencing factors of urban residents' travel behavior. First, a Multinominal Logit Model (MNL) model is built to analyze the characteristics of residents' travel behavior, reveal the influence of individual attributes, family attributes and travel characteristics on the choice of travel mode, and identify the significant factors. Then put forward suggestions for policy improvement. Finally, Support Vector Machine (SVM) and Multi-Layer Perceptron (MLP) models are introduced to evaluate the policy effect. This paper selects Futian Street in Futian District, Shenzhen City for investigation and research. The results show that gender, age, education, income, number of cars owned, travel purpose, departure time, journey time, travel distance and times all have a significant influence on residents' choice of travel mode. Based on the above results, two policy improvement suggestions are put forward from reducing public transportation and non-motor vehicle travel time, and the policy effect is evaluated. Before the evaluation, the prediction effect of MNL, SVM and MLP models was evaluated. After parameter optimization, it was found that the prediction accuracy of the three models was 72.80%, 71.42%, and 76.42%, respectively. The MLP model with the highest prediction accuracy was selected to evaluate the effect of policy improvement. The results showed that after the implementation of the policy, the proportion of public transportation in plan 1 and plan 2 increased by 14.04% and 9.86%, respectively, while the proportion of private cars decreased by 3.47% and 2.54%, respectively. The proportion of car trips decreased obviously, while the proportion of public transport trips increased. It can be considered that the measures have a positive effect on promoting green trips and improving the satisfaction of urban residents, and can provide a reference for relevant departments to formulate transportation policies.

Keywords: Travel characteristics analysis, transportation choice, travel sharing rate, neural network model, traffic resource allocation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 584

Authors: F. J. Moral García, P. Valiente González, F. López Rodríguez

Abstract:

Ground-level tropospheric ozone is one of the air pollutants of most concern. It is mainly produced by photochemical processes involving nitrogen oxides and volatile organic compounds in the lower parts of the atmosphere. Ozone levels become particularly high in regions close to high ozone precursor emissions and during summer, when stagnant meteorological conditions with high insolation and high temperatures are common. In this work, some results of a study about urban ozone distribution patterns in the city of Badajoz, which is the largest and most industrialized city in Extremadura region (southwest Spain) are shown. Fourteen sampling campaigns, at least one per month, were carried out to measure ambient air ozone concentrations, during periods that were selected according to favourable conditions to ozone production, using an automatic portable analyzer. Later, to evaluate the ozone distribution at the city, the measured ozone data were analyzed using geostatistical techniques. Thus, first, during the exploratory analysis of data, it was revealed that they were distributed normally, which is a desirable property for the subsequent stages of the geostatistical study. Secondly, during the structural analysis of data, theoretical spherical models provided the best fit for all monthly experimental variograms. The parameters of these variograms (sill, range and nugget) revealed that the maximum distance of spatial dependence is between 302-790 m and the variable, air ozone concentration, is not evenly distributed in reduced distances. Finally, predictive ozone maps were derived for all points of the experimental study area, by use of geostatistical algorithms (kriging). High prediction accuracy was obtained in all cases as cross-validation showed. Useful information for hazard assessment was also provided when probability maps, based on kriging interpolation and kriging standard deviation, were produced.

Keywords: Kriging, map, tropospheric ozone, variogram.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1842

Authors: Prabhat Ranjan Prem, B.H.Bharatkumar, Nagesh R Iyer

Abstract:

A research program is conducted to evaluate the mechanical properties of Ultra High Performance Concrete, target compressive strength at the age of 28 days being more than 150 MPa. The methodology to develop such mix has been explained. The material properties, mix design and curing regime are determined. The material attributes are understood by studying the stress strain behaviour of UHPC cylinders under uniaxial compressive loading. The load –crack mouth opening displacement (cmod) of UHPC beams, flexural strength and fracture energy was evaluated using third point loading test. Compressive strength and Split tensile strength results are determined to find out the compressive and tensile behaviour. Residual strength parameters are presented vividly explaining the flexural performance, toughness of concrete.Durability studies were also done to compare the effect of fibre to that of a control mix For all the studies the Mechanical properties were evaluated by varying the percentage and aspect ratio of steel fibres The results reflected that higher aspect ratio and fibre volume produced drastic changes in the cube strength, cylinder strength, post peak response, load-cmod, fracture energy flexural strength, split tensile strength, residual strength and durability. In regards to null application of UHPC in India, an initiative is undertaken to comprehend the mechanical behaviour of UHPC, which will be vital for longer run in commercialization for structural applications.

Keywords: Ultra High Performance Concrete, Reinforcement Index, Compressive Strength, Tensile Strength, Flexural Strength, Residual Strength, Fracture Energy, Stress-Strain Relationships, Load-Crack Mouth Opening Displacement and Durability.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 10560

Authors: I. Ludviga, A. Kalvina

Abstract:

This paper aims to link together the concepts of job satisfaction, work engagement, trust, job meaningfulness and loyalty to the organisation focusing on specific type of employment – academic jobs. The research investigates the relationships between job satisfaction, work engagement and loyalty as well as the impact of trust and job meaningfulness on the work engagement and loyalty. The survey was conducted in one of the largest Latvian higher education institutions and the sample was drawn from academic staff (n=326). Structured questionnaire with 44 reflective type questions was developed to measure the constructs. Data was analysed using SPSS and Smart-PLS software. Variance based structural equation modelling (PLS-SEM) technique was used to test the model and to predict the most important factors relevant to employee engagement and loyalty. The first order model included two endogenous constructs (loyalty and intention to stay and recommend to work in this organisation, and employee engagement), as well as six exogenous constructs (feeling of fair treatment and trust in management; career growth opportunities; compensation, pay and benefits; management; colleagues and teamwork; and finally job meaningfulness). Job satisfaction was developed as second order construct and both: first and second order models were designed for data analysis. It was found that academics are more engaged than satisfied with their work and main reason for that was found to be job meaningfulness, which is significant predictor for work engagement, but not for job satisfaction. Compensation is not significantly related to work engagement, but only to job satisfaction. Trust was not significantly related neither to engagement, nor to satisfaction, however, it appeared to be significant predictor of loyalty and intentions to stay with the University. Paper revealed academic jobs as specific kind of employment where employees can be more engaged than satisfied and highlighted the specific role of job meaningfulness in the University settings.

Keywords: Job satisfaction, job meaningfulness, higher education, work engagement.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2906

Authors: Johan Wall, Johan Fredin, Anders Jönsson, Göran Broman

Abstract:

Designing modern machine tools is a complex task. A simulation tool to aid the design work, a virtual machine, has therefore been developed in earlier work. The virtual machine considers the interaction between the mechanics of the machine (including structural flexibility) and the control system. This paper exemplifies the usefulness of the virtual machine as a tool for product development. An optimisation study is conducted aiming at improving the existing design of a machine tool regarding weight and manufacturing accuracy at maintained manufacturing speed. The problem can be categorised as constrained multidisciplinary multiobjective multivariable optimisation. Parameters of the control and geometric quantities of the machine are used as design variables. This results in a mix of continuous and discrete variables and an optimisation approach using a genetic algorithm is therefore deployed. The accuracy objective is evaluated according to international standards. The complete systems model shows nondeterministic behaviour. A strategy to handle this based on statistical analysis is suggested. The weight of the main moving parts is reduced by more than 30 per cent and the manufacturing accuracy is improvement by more than 60 per cent compared to the original design, with no reduction in manufacturing speed. It is also shown that interaction effects exist between the mechanics and the control, i.e. this improvement would most likely not been possible with a conventional sequential design approach within the same time, cost and general resource frame. This indicates the potential of the virtual machine concept for contributing to improved efficiency of both complex products and the development process for such products. Companies incorporating such advanced simulation tools in their product development could thus improve its own competitiveness as well as contribute to improved resource efficiency of society at large.

Keywords: Machine tools, Mechatronics, Non-deterministic, Optimisation, Product development, Virtual machine

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1953

Authors: T. Sakamoto, S. Kainuma

Abstract:

Firstly, in order to examine the influence of the remaining amount of the rust on the coating film durability, the accelerated deterioration tests were carried out. In order to prepare test specimens, uncoated steel plates were corroded by the Salt Spray Test (SST) prior to the accelerated deterioration tests, and then the prepared test specimens were coated by epoxy resin and phthalic acid resin each of which has different gas-barrier performance. As the result, it was confirmed that the under-film corrosion occurred in the area and the adjacency to great quantities of salt exists in the rust, and did not occurred in the specimen which was applied the epoxy resin paint after the surface preparation by the power tool. Secondly, in order to clarify the influence of the corrosive factors on the coating film durability, outdoor exposure tests were conducted for one year on actual steel bridge located at a coastal area. The tests specimens consist of coated corroded plates and the uncoated steel plates, and they were installed on the different structural members of the bridge for one year. From the test results, the uncoated steel plates which were installed on the underside of the member are easily corrosive and had highly correlation with the amount of salt in the rust. On the other hand, the most corrosive under-film steel was the vertical surface of the web plate. Thus, it was confirmed that under-film corrosion rate was not match with corrosion rate of the uncoated steel. Consequently, it is estimated that the main factors of under-film corrosion are gas-barrier property of coating film and corrosive factors such as water vapor and temperature. The salt which significantly corrodes the uncoated steel plate is not directly related to the under-film corrosion.

Keywords: Accelerated deterioration test, Coating durability, Environmental factor, Under-film corrosion.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1420

Authors: J. Novak, A. Kohoutkova, V. Kristek, J. Vodicka, M. Sramek

Abstract:

While the use of cast-in-place concrete for an airfield and highway pavement overlay is very common, the application of precast concrete elements is very limited today. The main reasons consist of high production costs and complex structural behavior. Despite that, several precast concrete systems have been developed and tested with the aim to provide a system with rapid construction. The contribution deals with the reinforcement design of a hexagonal element developed for a proposed airfield pavement system. The sub-base course of the system is composed of compacted recycled concrete aggregates and fiber reinforced concrete with recycled aggregates place on top of it. The selected element belongs to a group of precast concrete elements which are being considered for the construction of a surface course. Both high costs of full-scale experiments and the need to investigate various elements force to simulate their behavior in a numerical analysis software by using finite element method instead of performing expensive experiments. The simulation of the selected element was conducted on a nonlinear model in order to obtain such results which could fully compensate results from experiments. The main objective was to design reinforcement of the precast concrete element subject to quasi-static loading from airplanes with respect to geometrical imperfections, manufacturing imperfections, tensile stress in reinforcement, compressive stress in concrete and crack width. The obtained findings demonstrate that the position and the presence of imperfection in a pavement highly affect the stress distribution in the precast concrete element. The precast concrete element should be heavily reinforced to fulfill all the demands. Using under-reinforced concrete elements would lead to the formation of wide cracks and cracks permanently open.

Keywords: Imperfection, numerical simulation, pavement, precast concrete element, reinforcement design, stress analysis.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 732

Authors: Seyedeh Mozhgan Seyed-Talebi, Javad Beheshtian

Abstract:

The toxicity of lead associated with the lifecycle of perovskite solar cells (PSCs( is a serious concern which may prove to be a major hurdle in the path toward their commercialization. The current proposed lead-free PSCs including Ag(I), Bi(III), Sb(III), Ti(IV), Ge(II), and Sn(II) low-toxicity cations are still plagued with the critical issues of poor stability and low efficiency. This is mainly because of their chemical stability. In the present research, utilization of all inorganic CsSnGeI₃ based materials offers the advantages to enhance resistance of device to degradation, reduce the cost of cells, and minimize the carrier recombination. The presence of inorganic halide perovskite improves the photovoltaic parameters of PCSs via improved surface coverage and stability. The inverted structure of simulated devices using a 1D simulator like solar cell capacitance simulator (SCAPS) version 3308 involves TCOHTL/Perovskite/ETL/Au contact layer. PEDOT:PSS, PCBM, and CsSnGeI₃ used as hole transporting layer (HTL), electron transporting layer (ETL), and perovskite absorber layer in the inverted structure for the first time. The holes are injected from highly stable and air tolerant Sn_0.5Ge_0.5I₃ perovskite composition to HTM and electrons from the perovskite to ETL. Simulation results revealed a great dependence of power conversion efficiency (PCE) on the thickness and defect density of perovskite layer. Here the effect of an increase in operating temperature from 300 K to 400 K on the performance of CsSnGeI₃ based perovskite devices is investigated. Comparison between simulated CsSnGeI₃ based PCSs and similar real testified devices with spiro-OMeTAD as HTL showed that the extraction of carriers at the interfaces of perovskite absorber depends on the energy level mismatches between perovskite and HTL/ETL. We believe that optimization results reported here represent a critical avenue for fabricating the stable, low-cost, efficient, and eco-friendly all-inorganic Cs-Sn-Ge based lead-free perovskite devices.

Keywords: Hole transporting layer, lead-free, perovskite Solar cell, SCAPS-1D, Sn-Ge based material.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 776

Authors: Alexandru Epureanu, Virgil Teodor

Abstract:

One of the main research directions in CAD/CAM machining area is the reducing of machining time. The feedrate scheduling is one of the advanced techniques that allows keeping constant the uncut chip area and as sequel to keep constant the main cutting force. They are two main ways for feedrate optimization. The first consists in the cutting force monitoring, which presumes to use complex equipment for the force measurement and after this, to set the feedrate regarding the cutting force variation. The second way is to optimize the feedrate by keeping constant the material removal rate regarding the cutting conditions. In this paper there is proposed a new approach using an extended database that replaces the system model. The feedrate scheduling is determined based on the identification of the reconfigurable machine tool, and the feed value determination regarding the uncut chip section area, the contact length between tool and blank and also regarding the geometrical roughness. The first stage consists in the blank and tool monitoring for the determination of actual profiles. The next stage is the determination of programmed tool path that allows obtaining the piece target profile. The graphic representation environment models the tool and blank regions and, after this, the tool model is positioned regarding the blank model according to the programmed tool path. For each of these positions the geometrical roughness value, the uncut chip area and the contact length between tool and blank are calculated. Each of these parameters are compared with the admissible values and according to the result the feed value is established. We can consider that this approach has the following advantages: in case of complex cutting processes the prediction of cutting force is possible; there is considered the real cutting profile which has deviations from the theoretical profile; the blank-tool contact length limitation is possible; it is possible to correct the programmed tool path so that the target profile can be obtained. Applying this method, there are obtained data sets which allow the feedrate scheduling so that the uncut chip area is constant and, as a result, the cutting force is constant, which allows to use more efficiently the machine tool and to obtain the reduction of machining time.

Keywords: Reconfigurable machine tool, system identification, uncut chip area, cutting conditions scheduling.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1436

Authors: Emre Kara, Şura Karakuzu, Ahmet F. Geylan, Metehan Demir, Kadir Koç, Halil Aykul

Abstract:

The material selection in the design of the sandwich structures is very crucial aspect because of the positive or negative influences of the base materials to the mechanical properties of the entire panel. In the literature, it was presented that the selection of the skin and core materials plays very important role on the behavior of the sandwich. Beside this, the use of the correct adhesive can make the whole structure to show better mechanical results and behavior. In the present work, the static three-point bending tests were performed on the sandwiches having an aluminum alloy foam core, the skins made of three different types of fabrics and two different commercial adhesives (flexible polyurethane and toughened epoxy based) at different values of support span distances by aiming the analyses of their flexural performance in terms of absorbed energy, peak force values and collapse mechanisms. The main results of the flexural loading are: force-displacement curves obtained after the bending tests, peak force and absorbed energy values, collapse mechanisms and adhesion quality. The experimental results presented that the sandwiches with epoxy based toughened adhesive and the skins made of S-Glass Woven fabrics indicated the best adhesion quality and mechanical properties. The sandwiches with toughened adhesive exhibited higher peak force and energy absorption values compared to the sandwiches with flexible adhesive. The use of these sandwich structures can lead to a weight reduction of the transport vehicles, providing an adequate structural strength under operating conditions.

Keywords: Adhesive and adhesion, Aluminum foam, Bending, Collapse mechanisms.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2185

Authors: Fariba Tadayon, Elmira Hassanlou, Hasan Bagheri, Mostafa Jafarian

Abstract:

Heavy metals are released into water, plants, soil, and food by natural and human activities. Lead has toxic roles in the human body and may cause serious problems even in low concentrations, since it may have several adverse effects on human. Therefore, determination of lead in different samples is an important procedure in the studies of environmental pollution. In this work, an ultrasonic assisted-ionic liquid based-liquid-liquid microextraction (UA-IL-DLLME) procedure for the determination of lead in zucchini, pomegranate, and lettuce has been established and developed by using flame atomic absorption spectrometer (FAAS). For UA-IL-DLLME procedure, 10 mL of the sample solution containing Pb2+ was adjusted to pH=5 in a glass test tube with a conical bottom; then, 120 μL of 1-Hexyl-3-methylimidazolium hexafluoro phosphate (CMIM)(PF6) was rapidly injected into the sample solution with a microsyringe. After that, the resulting cloudy mixture was treated by ultrasonic for 5 min, then the separation of two phases was obtained by centrifugation for 5 min at 3000 rpm and IL-phase diluted with 1 cc ethanol, and the analytes were determined by FAAS. The effect of different experimental parameters in the extraction step including: ionic liquid volume, sonication time and pH was studied and optimized simultaneously by using Response Surface Methodology (RSM) employing a central composite design (CCD). The optimal conditions were determined to be an ionic liquid volume of 120 μL, sonication time of 5 min, and pH=5. The linear ranges of the calibration curve for the determination by FAAS of lead were 0.1-4 ppm with R2=0.992. Under optimized conditions, the limit of detection (LOD) for lead was 0.062 μg.mL-1, the enrichment factor (EF) was 93, and the relative standard deviation (RSD) for lead was calculated as 2.29%. The levels of lead for pomegranate, zucchini, and lettuce were calculated as 2.88 μg.g-1, 1.54 μg.g-1, 2.18 μg.g-1, respectively. Therefore, this method has been successfully applied for the analysis of the content of lead in different food samples by FAAS.

Keywords: Dispersive liquid-liquid microextraction, Central composite design, Food samples, Flame atomic absorption spectrometry.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1272

Authors: Sana Hamdi, Emna Bouazizi, Sami Faiz

Abstract:

In recent years, real-time spatial applications, like location-aware services and traffic monitoring, have become more and more important. Such applications result dynamic environments where data as well as queries are continuously moving. As a result, there is a tremendous amount of real-time spatial data generated every day. The growth of the data volume seems to outspeed the advance of our computing infrastructure. For instance, in real-time spatial Big Data, users expect to receive the results of each query within a short time period without holding in account the load of the system. But with a huge amount of real-time spatial data generated, the system performance degrades rapidly especially in overload situations. To solve this problem, we propose the use of data partitioning as an optimization technique. Traditional horizontal and vertical partitioning can increase the performance of the system and simplify data management. But they remain insufficient for real-time spatial Big data; they can’t deal with real-time and stream queries efficiently. Thus, in this paper, we propose a novel data partitioning approach for real-time spatial Big data named VPA-RTSBD (Vertical Partitioning Approach for Real-Time Spatial Big data). This contribution is an implementation of the Matching algorithm for traditional vertical partitioning. We find, firstly, the optimal attribute sequence by the use of Matching algorithm. Then, we propose a new cost model used for database partitioning, for keeping the data amount of each partition more balanced limit and for providing a parallel execution guarantees for the most frequent queries. VPA-RTSBD aims to obtain a real-time partitioning scheme and deals with stream data. It improves the performance of query execution by maximizing the degree of parallel execution. This affects QoS (Quality Of Service) improvement in real-time spatial Big Data especially with a huge volume of stream data. The performance of our contribution is evaluated via simulation experiments. The results show that the proposed algorithm is both efficient and scalable, and that it outperforms comparable algorithms.

Keywords: Real-Time Spatial Big Data, Quality Of Service, Vertical partitioning, Horizontal partitioning, Matching algorithm, Hamming distance, Stream query.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1036

Authors: K. S. Sivakumaran, T. Thanga, B. Halabieh

Abstract:

The end panels of a large rectangular industrial duct, which experience significant internal pressures, also experience considerable transverse shear due to transfer of gravity loads to the supports. The current design practice of such thin plate panels for shear load is based on methods used for the design of plate girder webs. The structural arrangements, the loadings and the resulting behavior associated with the industrial duct end panels are, however, significantly different from those of the web of a plate girder. The large aspect ratio of the end panels gives rise to multiple bands of tension fields, whereas the plate girder web design is based on one tension field. In addition to shear, the industrial end panels are subjected to internal pressure which in turn produces significant membrane action. This paper reports a study which was undertaken to review the current industrial analysis and design methods and to propose a comprehensive method of designing industrial duct end panels for shear resistance. In this investigation, a nonlinear finite element model was developed to simulate the behavior of industrial duct end panel, along with the associated edge stiffeners, subjected to transverse shear and internal pressures. The model considered the geometric imperfections and constitutive relations for steels. Six scale independent dimensionless parameters that govern the behavior of such end panel were identified and were then used in a parametric study. It was concluded that the plate slenderness dominates the shear strength of stockier end panels, and whereas, both the plate slenderness and the aspect ratio influence the shear strength of slender end panels. Based on these studies, this paper proposes design aids for estimating the shear strength of rectangular duct end panels.

Keywords: Thin plate, transverse shear, tension field, finite element analysis, parametric study, design.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1954

Authors: Palak J. Shukla, Atul K. Desai, Chentankumar D. Modhera

Abstract:

For any country in the world, it has become a priority to protect the critical infrastructure from looming risks of terrorism. In any infrastructure system, the structural elements like lower floors, exterior columns, walls etc. are key elements which are the most susceptible to damage due to blast load. The present study revisits the state of art review of the design and analysis of reinforced concrete panels subjected to blast loading. Various aspects in association with blast loading on structure, i.e. estimation of blast load, experimental works carried out previously, the numerical simulation tools, various material models, etc. are considered for exploring the current practices adopted worldwide. Discussion on various parametric studies to investigate the effect of reinforcement ratios, thickness of slab, different charge weight and standoff distance is also made. It was observed that for the simulation of blast load, CONWEP blast function or equivalent numerical equations were successfully employed by many researchers. The study of literature indicates that the researches were carried out using experimental works and numerical simulation using well known generalized finite element methods, i.e. LS-DYNA, ABAQUS, AUTODYN. Many researchers recommended to use concrete damage model to represent concrete and plastic kinematic material model to represent steel under action of blast loads for most of the numerical simulations. Most of the studies reveal that the increase reinforcement ratio, thickness of slab, standoff distance was resulted in better blast resistance performance of reinforced concrete panel. The study summarizes the various research results and appends the present state of knowledge for the structures exposed to blast loading.

Keywords: Blast phenomenon, experimental methods, material models, numerical methods.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1109

Authors: E. De Finis, P. Gattinoni, L. Scesi

Abstract:

Massive rock avalanches formed some of the largest landslide deposits on Earth and they represent one of the major geohazards in high-relief mountains. This paper interprets a very large sedimentary fan (the Sernio fan, Valtellina, Northern Italy), located 20 Km SW from Val Pola Rock avalanche (1987), as the deposit of a partial collapse of a Deep Seated Gravitational Slope Deformation (DSGSD), afterwards eroded and buried by debris flows. The proposed emplacement sequence has been reconstructed based on geomorphological, structural and mechanical evidences. The Sernio fan is actually considered anomalous with reference to the very high ratio between the fan area (≈ 4.5km2) and the basin area (≈ 3km2). The morphology of the fan area is characterised by steep slopes (dip ≈ 20%) and the fan apex is extended for 1.8 km inside the small catchment basin. This sedimentary fan was originated by a landslide that interested a part of a large deep-seated gravitational slope deformation, involving a wide area of about 55 km². The main controlling factor is tectonic and it is related to the proximity to regional fault systems and the consequent occurrence of fault weak rocks (GSI locally lower than 10 with compressive stress lower than 20MPa). Moreover, the fan deposit shows sedimentary evidences of recent debris flow events. The best current explanation of the Sernio fan involves an initial failure of some hundreds of Mm3. The run-out was quite limited because of the morphology of Valtellina’s valley floor, and the deposit filled the main valley forming a landslide dam, as confirmed by the lacustrine deposits detected upstream the fan. Nowadays the debris flow events represent the main hazard in the study area.

Keywords: Anomalous sedimentary fans, debris flow, deep seated gravitational slope deformation, Italy, rock avalanche.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1722

Authors: Ismail Abubakar, Hamid Mehrabi, Reg Morton

Abstract:

Currently, extensive signal analysis is performed in order to evaluate structural health of turbomachinery blades. This approach is affected by constraints of time and the availability of qualified personnel. Thus, new approaches to blade dynamics identification that provide faster and more accurate results are sought after. Generally, modal analysis is employed in acquiring dynamic properties of a vibrating turbomachinery blade and is widely adopted in condition monitoring of blades. The analysis provides useful information on the different modes of vibration and natural frequencies by exploring different shapes that can be taken up during vibration since all mode shapes have their corresponding natural frequencies. Experimental modal testing and finite element analysis are the traditional methods used to evaluate mode shapes with limited application to real live scenario to facilitate a robust condition monitoring scheme. For a real time mode shape evaluation, rapid evaluation and low computational cost is required and traditional techniques are unsuitable. In this study, artificial neural network is developed to evaluate the mode shape of a lab scale rotating blade assembly by using result from finite element modal analysis as training data. The network performance evaluation shows that artificial neural network (ANN) is capable of mapping the correlation between natural frequencies and mode shapes. This is achieved without the need of extensive signal analysis. The approach offers advantage from the perspective that the network is able to classify mode shapes and can be employed in real time including simplicity in implementation and accuracy of the prediction. The work paves the way for further development of robust condition monitoring system that incorporates real time mode shape evaluation.

Keywords: Modal analysis, artificial neural network, mode shape, natural frequencies, pattern recognition.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 887

Authors: Srinivasan Chandrasekaran, Shihas A. Khader

Abstract:

Motion response of floating structures is of great concern in marine engineering. Nonlinearity is an inherent property of any floating bodies subjected to irregular waves. These floating structures are continuously subjected to environmental loadings from wave, current, wind etc. This can result in undesirable motions of the vessel which may challenge the operability. For a floating body to remain in its position, it should be able to induce a restoring force when displaced. Mooring is provided to enable this restoring force. This paper discusses the hydrodynamic performance and motion characteristics of an 8 point spread mooring system applied to a pipe laying barge operating in the West African sea. The modelling of the barge is done using a computer aided-design (CAD) software RHINOCEROS. Irregular waves are generated using a suitable wave spectrum. Both frequency domain and time domain analysis is done. Numerical simulations based on potential theory are carried out to find the responses and hydrodynamic performance of the barge in both free floating as well as moored conditions. Initially, potential flow frequency domain analysis is done to obtain the Response Amplitude Operator (RAO) which gives an idea about the structural motion in free floating state. RAOs for different wave headings are analyzed. In the following step, a time domain analysis is carried out to obtain the responses of the structure in the moored condition. In this study, wave induced motions are only taken into consideration. Wind and current loads are ruled out and shall be included in further studies. For the current study, 2000 seconds simulation is taken. The results represent wave induced motion responses, mooring line tensions and identify critical mooring lines.

Keywords: Irregular wave, moored barge, time domain analysis, numerical simulation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2741

Authors: Puthsodary Tat

Abstract:

Democracy has been categorially accepted and used as foreign and domestic policy agendas for the hope of peace, economic growth and prosperity for more than 25 years in Cambodia. However, the country is now in the grip of dictatorship, human rights violations, and prospective economic sanctions. This paper examines different perceptions and experiences of democratic assistance. In this study, the author employs discourse theory, idealism and realism as a theory-based methodology for debating and assessing the implications of democratization. Discourse theory is used to establish a platform for understanding discursive formations, body of knowledge and the games of truth of democracy. Idealist approaches give rational arguments for adopting key tenets that work well on the ground. In contrast, realism allows for some sweeping critiques of utopian ideal and offers particular views on why Western hegemonic missions do not work well. From idealist views, the research finds that Cambodian people still believe that democracy is a prima facie universality for peace, growth and prosperity. From realism, democratization is on the brink of death in three reasons. Firstly, there are tensions between Western and local discourses about democratic values and norms. Secondly, democratic tenets have been undermined by the ruling party-controlled courts, corruption, structural oppression and political patronage-based institutions. The third pitfall is partly associated with foreign aid dependency and geopolitical power struggles in the region. Finally, the study offers a precise mosaic of democratic principles that may be used to avoid a future geopolitical and economic crisis.

Keywords: Corruption, democracy, democratic principles, discourse theory, discursive formations, foreign aid dependency, games of truth, geopolitical and economic crisis, geopolitical power struggle, hegemonic mission, idealism, realism, utopian ideal.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 957

Authors: Dhananjay C. Joshi, Jung-Hsin Lin

Abstract:

Protein-protein interactions (PPI) play a crucial role in many biological processes such as cell signalling, transcription, translation, replication, signal transduction, and drug targeting, etc. Structural information about protein-protein interaction is essential for understanding the molecular mechanisms of these processes. Structures of protein-protein complexes are still difficult to obtain by biophysical methods such as NMR and X-ray crystallography, and therefore protein-protein docking computation is considered an important approach for understanding protein-protein interactions. However, reliable prediction of the protein-protein complexes is still under way. In the past decades, several grid-based docking algorithms based on the Katchalski-Katzir scoring scheme were developed, e.g., FTDock, ZDOCK, HADDOCK, RosettaDock, HEX, etc. However, the success rate of protein-protein docking prediction is still far from ideal. In this work, we first propose a more practical measure for evaluating the success of protein-protein docking predictions,the rate of first success (RFS), which is similar to the concept of mean first passage time (MFPT). Accordingly, we have assessed the ZDOCK bound and unbound benchmarks 2.0 and 3.0. We also createda new benchmark set for protein-protein docking predictions, in which the complexes have experimentally determined binding affinity data. We performed free energy calculation based on the solution of non-linear Poisson-Boltzmann equation (nlPBE) to improve the binding mode prediction. We used the well-studied thebarnase-barstarsystem to validate the parameters for free energy calculations. Besides,thenlPBE-based free energy calculations were conducted for the badly predicted cases by ZDOCK and ZRANK. We found that direct molecular mechanics energetics cannot be used to discriminate the native binding pose from the decoys.Our results indicate that nlPBE-based calculations appeared to be one of the promising approaches for improving the success rate of binding pose predictions.

Keywords: protein-protein docking, protein-protein interaction, molecular mechanics energetics, Poisson-Boltzmann calculations

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1784