Search results for: lattice Green's function
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 7258

Search results for: lattice Green's function

6778 The Old Traditional Structures in Iran: A Suitable Model for Today's Greenhouse

Authors: Behbood Maashkar

Abstract:

One of the principles for societies’ development is the requirement to consider past experiences. Man should always take advantage of the predecessor’s experiences and analyze their works and methods. The predecessors have had a more friendly relationship with nature and their lives less damaged the nature, and it is one of the elements of green building. One of the things the ancients have observed in regard to green building in their houses, stores, sacred places, etc. was using wind-catchers as an air conditioning and cooling system which can be considered as the first foundations of green building. In designing houses Iranian architects have paid a great attention to the factor of making use of more shaded area in hot season and insulation of wall and ceiling against influence of hot weather and also air circulation inside the building. In order to circulate the air inside closed spaces and decrease the temperature, they have considered different winds which blow in Iran and its effective power, and in order to make use of it they invented wind catcher. Direction of wind blow and its height from the earth as well as the time and duration of wind blow and other factors have been effective in making different types of wind catchers. Using wind catchers has been and is prevalent mainly in central and south regions of Iran, coastal areas of Persian Gulf, and Khorasan, especially in cities like Yazd, Kashan, Bam, Abarghoo, Jahrom, and Tabas.

Keywords: environment pollution, green building, Iran, wind catchers

Procedia PDF Downloads 248
6777 Structural Investigation and Hyperfine Interactions of BaBiₓLaₓFe₁₂₋₂ₓO₁₉ (0.0 ≤ X ≤ 0.5) Hexaferrites

Authors: Hakan Gungunes, Ismail A. Auwal, Abdulhadi Baykal, Sagar E. Shirsath

Abstract:

Barium hexaferrite, BaFe₁₂O₁₉, substituted by Bi³⁺ and La³⁺ (BaBiₓLaₓFe₁₂₋₂ₓO₁₉ where 0.0 ≤ x ≤ 0.5) were prepared by solid state synthesis route. The effect of substituted Bi³⁺ and La³⁺ ions on the structure, morphology, magnetic and cation distributions of barium hexaferrite were investigated by X-ray powder diffractometry (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), Fourier transform infrared spectroscopy (FT-IR) and Mössbauer spectroscopy. XRD powder patterns were refined by the Rietveld analysis method which confirmed the formation of single phase magneto-plumbite structure and the substitution of La³⁺ and Bi³⁺ ions into the lattice of barium ferrite. These results show that both La³⁺ and Bi³⁺ ions completely enter into barium hexaferrite lattice without disturbing the hexagonal ferrite structure. The EDX spectra confirmed the presence of all the constituents in expected elemental percentage. From 57Fe Mössbauer spectroscopy data, the variation in line width, isomer shift, quadrupole splitting and hyperfine magnetic field values on Bi and La substitutions have been determined. Cation distribution in the presently investigated hexaferrite system was estimated using the relative area of Mössbauer spectroscopy.

Keywords: hexaferrite, mössbauer, cation distribution, solid state synthesis

Procedia PDF Downloads 374
6776 Developing a Green Information Technology Model in Australian Higher-Educational Institutions

Authors: Mahnaz Jafari, Parisa Izadpanahi, Francesco Mancini, Muhammad Qureshi

Abstract:

The advancement in Information Technology (IT) has been an intrinsic element in the developments of the 21st century bringing benefits such as increased economic productivity. However, its widespread application has also been associated with inadvertent negative impacts on society and the environment necessitating selective interventions to mitigate these impacts. This study responded to this need by developing a Green IT Rating Tool (GIRT) for higher education institutions (HEI) in Australia to evaluate the sustainability of IT-related practices from an environmental, social, and economic perspective. Each dimension must be considered equally to achieve sustainability. The development of the GIRT was informed by the views of interviewed IT professionals whose opinions formed the basis of a framework listing Green IT initiatives in order of their importance as perceived by the interviewed professionals. This framework formed the base of the GIRT, which identified Green IT initiatives (such as videoconferencing as a substitute for long-distance travel) and the associated weighting of each practice. The proposed sustainable Green IT model could be integrated into existing IT systems, leading to significant reductions in carbon emissions and e-waste and improvements in energy efficiency. The development of the GIRT and the findings of this study have the potential to inspire other organizations to adopt sustainable IT practices, positively impact the environment, and be used as a reference by IT professionals and decision-makers to evaluate IT-related sustainability practices. The GIRT could also serve as a benchmark for HEIs to compare their performance with other institutions and to track their progress over time. Additionally, the study's results suggest that virtual and cloud-based technologies could reduce e-waste and energy consumption in the higher education sector. Overall, this study highlights the importance of incorporating Green IT practices into the IT systems of HEI to contribute to a more sustainable future.

Keywords: green information technology, international higher-educational institution, sustainable solutions, environmentally friendly IT systems

Procedia PDF Downloads 75
6775 How COVID 19 Changed Policy Makers Behavior toward Environmental Policy

Authors: Ammar Alrefaei

Abstract:

The COVID-19 pandemic changed human life. The vast majority of the COVID effect was on the healthcare sector, but its impact on the global economy cannot be denied. In the field of environment, the pandemic may have a more significant impact on the environment than all environmental activity and policies of recent years. The pandemic consequences for the environment may be far more unpredictable than one might assume. In view of this, it is imperative for legislators from different states to be prepared to apply adequate measures to counteract such consequences. This article aimed to examine the obstacles to implementing effective environmental policies after the COVID-19 pandemic using different examples from different countries. Also, how adopting new initiatives, such as the Saudi Green Initiative and the Middle East Green Initiative, can help policymakers and legislators adopt new laws and policies. In addition, this paper reviewed the developing dangers to environmental protection after the pandemic and analyzed the major challenges to instrument active environmental policies during COVID-19 and in the world after COVID.

Keywords: environmental policy, environment law, green initiative, COVID 19

Procedia PDF Downloads 110
6774 Review on the Role of Sustainability Techniques in Development of Green Building

Authors: Ubaid Ur Rahman, Waqar Younas, Sooraj Kumar Chhabira

Abstract:

Environmentally sustainable building construction has experienced significant growth during the past 10 years at international level. This paper shows that the conceptual framework adopts sustainability techniques in construction to develop environment friendly building called green building. Waste occurs during the different construction phases which causes the environmental problems like, deposition of waste on ground surface creates major problems such as bad smell. It also gives birth to different health diseases and produces toxic waste agent which is specifically responsible for making soil infertile. Old recycled building material is used in the construction of new building. Sustainable construction is economical and saves energy sources. Sustainable construction is the major responsibility of designer and project manager. The designer has to fulfil the client demands while keeping the design environment friendly. Project manager has to deliver and execute sustainable construction according to sustainable design. Steel is the most appropriate sustainable construction material. It is more durable and easily recyclable. Steel occupies less area and has more tensile and compressive strength than concrete, making it a better option for sustainable construction as compared to other building materials. New technology like green roof has made the environment pleasant, and has reduced the construction cost. It minimizes economic, social and environmental issues. This paper presents an overview of research related to the material use of green building and by using this research recommendation are made which can be followed in the construction industry. In this paper, we go through detailed analysis on construction material. By making suitable adjustments to project management practices it is shown that a green building improves the cost efficiency of the project, makes it environmental friendly and also meets future generation demands.

Keywords: sustainable construction, green building, recycled waste material, environment

Procedia PDF Downloads 244
6773 The Effects of Applying Wash and Green-A Syrups as Substitution of Sugar on Dough and Cake Properties

Authors: Banafsheh Aghamohammadi, Masoud Honarvar, Babak Ghiassi Tarzi

Abstract:

Usage of different components has been considered to improve the quality and nutritional properties of cakes in recent years. The effects of applying some sweeteners, instead of sugar, have been evaluated in cakes and many bread formulas up to now; but there has not been any research about the usage of by-products of sugar factories such as Wash and Green-A Syrups in cake formulas. In this research, the effects of substituting 25%, 50%, 75% and 100% of sugar with Wash and Green-A Syrups on some dough and cake properties, such as pH, viscosity, density, volume, weight loss, moisture, water activity, texture, staling, color and sensory evaluations, are studied. The results of these experiments showed that the pH values were not significantly different among any of the all cake batters and also most of the cake samples. Although differences among viscosity and specific gravity of all treatments were both significant and insignificant, these two parameters resulted in higher volume in all samples than the blank one. The differences in weight loss, moisture content and water activity of samples were insignificant. Evaluating of texture showed that the softness of most of samples is increased and the staling is decreased. Crumb color and sensory evaluations of samples were also affected by the replacement of sucrose with Wash and Green-A Syrups. According to the results, we can increase the shelf life and improve the quality and nutritional values of cake by using these kinds of syrups in the formulation.

Keywords: cake, green-A syrup, quality tests, sensory evaluation, wash syrup

Procedia PDF Downloads 175
6772 Significance of Bike-Frame Geometric Factors for Cycling Efficiency and Muscle Activation

Authors: Luen Chow Chan

Abstract:

With the advocacy of green transportation and green traveling, cycling has become increasingly popular nowadays. Physiology and bike design are key factors for the influence of cycling efficiency. Therefore, this study aimed to investigate the significance of bike-frame geometric factors on cycling efficiency and muscle activation for different body sizes of non-professional Asian male cyclists. Participants who represented various body sizes, as measured by leg and back lengths, carried out cycling tests using a tailor-assembled road bike with different ergonomic design configurations including seat-height adjustments (i.e., 96%, 100%, and 104% of trochanteric height) and bike frame sizes (i.e., small and medium frames) for an assessable distance of 1 km. A specific power meter and self-developed adaptable surface electromyography (sEMG) were used to measure average pedaling power and cadence generated and muscle activation, respectively. The results showed that changing the seat height was far more significant than the body and bike frame sizes. The sEMG data evidently provided a better understanding of muscle activation as a function of different seat heights. Therefore, the interpretation of this study is that the major bike ergonomic design factor dominating the cycling efficiency of Asian participants with different body sizes was the seat height.

Keywords: bike frame sizes, cadence rate, pedaling power, seat height

Procedia PDF Downloads 119
6771 Impacts of Urban Morphologies on Air Pollutants Dispersion in Porto's Urban Area

Authors: Sandra Rafael, Bruno Vicente, Vera Rodrigues, Carlos Borrego, Myriam Lopes

Abstract:

Air pollution is an environmental and social issue at different spatial scales, especially in a climate change context, with an expected decrease of air quality. Air pollution is a combination of high emissions and unfavourable weather conditions, where wind speed and wind direction play a key role. The urban design (location and structure of buildings and trees) can both promote the air pollutants dispersion as well as promote their retention within the urban area. Today, most of the urban areas are applying measures to adapt to future extreme climatic events. Most of these measures are grounded on nature-based solutions, namely green roofs and green areas. In this sense, studies are required to evaluate how the implementation of these actions will influence the wind flow within the urban area and, consequently, how this will influence air pollutants' dispersion. The main goal of this study was to evaluate the influence of a set of urban morphologies in the wind conditions and in the dispersion of air pollutants, in a built-up area in Portugal. For that, two pollutants were analysed (NOx and PM10) and four scenarios were developed: i) a baseline scenario, which characterizes the current status of the study area, ii) an urban green scenario, which implies the implementation of a green area inside the domain, iii) a green roof scenario, which consists in the implementation of green roofs in a specific area of the domain; iv) a 'grey' scenario, which consists in a scenario with absence of vegetation. For that, two models were used, namely the Weather Research and Forecasting model (WRF) and the CFD model VADIS (pollutant dispersion in the atmosphere under variable wind conditions). The WRF model was used to initialize the CFD model, while the last was used to perform the set of numerical simulations, on an hourly basis. The implementation of the green urban area promoted a reduction of air pollutants' concentrations, 16% on average, related to the increase in the wind flow, which promotes air pollutants dispersion; while the application of green roofs showed an increase of concentrations (reaching 60% during specific time periods). Overall the results showed that a strategic placement of vegetation in cities has the potential to make an important contribution to increase air pollutants dispersion and so promote the improvement of air quality and sustainability of urban environments.

Keywords: air pollutants dispersion, wind conditions, urban morphologies, road traffic emissions

Procedia PDF Downloads 345
6770 An Analytical Wall Function for 2-D Shock Wave/Turbulent Boundary Layer Interactions

Authors: X. Wang, T. J. Craft, H. Iacovides

Abstract:

When handling the near-wall regions of turbulent flows, it is necessary to account for the viscous effects which are important over the thin near-wall layers. Low-Reynolds- number turbulence models do this by including explicit viscous and also damping terms which become active in the near-wall regions, and using very fine near-wall grids to properly resolve the steep gradients present. In order to overcome the cost associated with the low-Re turbulence models, a more advanced wall function approach has been implemented within OpenFoam and tested together with a standard log-law based wall function in the prediction of flows which involve 2-D shock wave/turbulent boundary layer interactions (SWTBLIs). On the whole, from the calculation of the impinging shock interaction, the three turbulence modelling strategies, the Lauder-Sharma k-ε model with Yap correction (LS), the high-Re k-ε model with standard wall function (SWF) and analytical wall function (AWF), display good predictions of wall-pressure. However, the SWF approach tends to underestimate the tendency of the flow to separate as a result of the SWTBLI. The analytical wall function, on the other hand, is able to reproduce the shock-induced flow separation and returns predictions similar to those of the low-Re model, using a much coarser mesh.

Keywords: SWTBLIs, skin-friction, turbulence modeling, wall function

Procedia PDF Downloads 346
6769 Key Affecting Factors for Social Sustainability through Urban Green Space Planning

Authors: Raziyeh Teimouri, Sadasivam Karuppannan, Alpana Sivam, Ning Gu

Abstract:

Urban Green Space (UGS) is one of the most critical components of urban systems to create sustainable cities. UGS has valuable social benefits that closely correlate with people's life quality. Studying social sustainability factors that can be achieved by green spaces is required for optimal UGS planning to increase urban social sustainability. This paper aims to identify key factors that enhance urban social sustainability through UGS planning. To reach the goal of the study international experts’ survey has been conducted. According to the results of the survey analysis, factors of proper distribution, links to public transportation, walkable access, sense of place, social interactions, public education, safety and security, walkability and cyclability, physical activity and recreational facilities, suitability for all ages, disabled people, women, and children are among the key factors that should consider in UGS planning programs to promote urban social sustainability.

Keywords: UGS, planning, social sustainability, key factors

Procedia PDF Downloads 76
6768 Modelling Asymmetric Magnetic Recording Heads with an Underlayer Using Superposition

Authors: Ammar Edress Mohamed, Mustafa Aziz, David Wright

Abstract:

This paper analyses and calculates the head fields of asymmetrical 2D magnetic recording heads when the soft-underlayer is present using the appropriate Green's function to derive the surface potential/field by utilising the surface potential for asymmetrical head without underlayer. The results follow closely the corners, while the gap region shows a linear behaviour for d/g < 0.5 compared with the calculated fields from finite-element.

Keywords: magnetic recording, finite elements, asymmetrical magnetic heads, superposition, Laplace's equation

Procedia PDF Downloads 389
6767 Fixed-Bed Column Studies of Green Malachite Removal by Use of Alginate-Encapsulated Aluminium Pillared Clay

Authors: Lazhar mouloud, Chemat Zoubida, Ouhoumna Faiza

Abstract:

The main objective of this study, concerns the modeling of breakthrough curves obtained in the adsorption column of malachite green into alginate-encapsulated aluminium pillared clay in fixed bed according to various operating parameters such as the initial concentration, the feed rate and the height fixed bed, applying mathematical models namely: the model of Bohart and Adams, Wolborska, Bed Depth Service Time, Clark and Yoon-Nelson. These models allow us to express the different parameters controlling the performance of the dynamic adsorption system. The results have shown that all models were found suitable for describing the whole or a definite part of the dynamic behavior of the column with respect to the flow rate, the inlet dye concentration and the height of fixed bed.

Keywords: adsorption column, malachite green, pillared clays, alginate, modeling, mathematic models, encapsulation.

Procedia PDF Downloads 506
6766 The Effect of Yb3+ Concentration on Spectroscopic properties of Strontium Cerate Doped with Tm3+ and Yb3+

Authors: Yeon Woo Seo, Haeyoung Choi, Jung Hyun Jeong

Abstract:

Recently, the UC phosphors have attracted much attention owing to their wide applicability in areas such as biological fluorescence labeling, three-dimensional color displays, temperature sensor, solar cells, white light emitting diodes (WLEDs), fiber optic communication, anti-counterfeiting and other areas. The UC efficiency is mainly dependent on the host lattice and the interaction between the host lattice and doped ions. Up to date, various host matrices, such as oxides, fluorides, vanadates and phosphates, have been investigated as efficient UC luminescent hosts. Recently, oxide materials with low phonon energy have been investigated as the host matrices of UC materials due to their high chemical durability and physical stability. A series of Sr2CeO4: Tm3+/Yb3+ phosphors with different concentrations of Yb3+ ions have been successfully prepared using the high-energy ball milling method. In this study, we reported the UC luminescent properties of Tm3+/Yb3+ ions co-doped Sr2CeO4 phosphors under an excitation wavelength of 975 nm. Furthermore, the structural and morphological characteristics, as well as the UC luminescence mechanism were investigated in detail. The X-ray diffraction patterns confirmed their orthorhombic structure. Under 975 nm excitation, the emission peaks were observed at 478 nm (blue) and 652 nm (red), corresponding to the 1G4 → 3H6 and 1G4 → 3F4 transitions of Tm3+, respectively. The optimized doping concentration of Yb3+ ion was 10 mol%.

Keywords: Strontium Cerate, up-conversion, luminescence, Tm3+, Yb3+

Procedia PDF Downloads 261
6765 The Layered Transition Metal Dichalcogenides as Materials for Storage Clean Energy: Ab initio Investigations

Authors: S. Meziane, H. I. Faraoun, C. Esling

Abstract:

Transition metal dichalcogenides have potential applications in power generation devices that convert waste heat into electric current by the so-called Seebeck and Hall effects thus providing an alternative energy technology to reduce the dependence on traditional fossil fuels. In this study, the thermoelectric properties of 1T and 2HTaX2 (X= S or Se) dichalcogenide superconductors have been computed using the semi-classical Boltzmann theory. Technologically, the task is to fabricate suitable materials with high efficiency. It is found that 2HTaS2 possesses the largest value of figure of merit ZT= 1.27 at 175 K. From a scientific point of view, we aim to model the underlying materials properties and in particular the transport phenomena as mediated by electrons and lattice vibrations responsible for superconductivity, Charge Density Waves (CDW) and metal/insulator transitions as function of temperature. The goal of the present work is to develop an understanding of the superconductivity of these selected materials using the transport properties at the fundamental level.

Keywords: Ab initio, High efficiency, Power generation devices, Transition metal dichalcogenides

Procedia PDF Downloads 196
6764 Comfort in Green: Thermal Performance and Comfort Analysis of Sky Garden, SM City, North EDSA, Philippines

Authors: Raul Chavez Jr.

Abstract:

Green roof's body of knowledge appears to be in its infancy stage in the Philippines. To contribute to its development, this study intends to answer the question: Does the existing green roof in Metro Manila perform well in providing thermal comfort and satisfaction to users? Relatively, this study focuses on thermal sensation and satisfaction of users, surface temperature comparison, weather data comparison of the site (Sky Garden) and local weather station (PAG-ASA), and its thermal resistance capacity. Initially, the researcher conducted a point-in-time survey in parallel with weather data gathering from PAG-ASA and Sky Garden. In line with these, ambient and surface temperature are conducted through the use of a digital anemometer, with humidity and temperature, and non-contact infrared thermometer respectively. Furthermore, to determine the Sky Garden's overall thermal resistance, materials found on site were identified and tabulated based on specified locations. It revealed that the Sky Garden can be considered comfortable based from PMV-PPD Model of ASHRAE Standard 55 having similar results from thermal comfort and thermal satisfaction survey, which is contrary to the actual condition of the Sky Garden by means of a psychrometric chart which falls beyond the contextualized comfort zone. In addition, ground floor benefited the most in terms of lower average ambient temperature and humidity compared to the Sky Garden. Lastly, surface temperature data indicates that the green roof portion obtained the highest average temperature yet performed well in terms of heat resistance compared to other locations. These results provided the researcher valuable baseline information of the actual performance of a certain green roof in Metro Manila that could be vital in locally enhancing the system even further and for future studies.

Keywords: Green Roof, Thermal Analysis, Thermal Comfort, Thermal Performance

Procedia PDF Downloads 165
6763 Biofilm Is Facilitator for Microplastic Ingestion in Green Mussel Perna Viridis

Authors: Yixuan Wang, A. C. Y. Wong, J. M. Y. Chiu, S. G. Cheung

Abstract:

After being released into the ocean, microplastics (MPs) are quickly colonized by microbes. The biofilm that forms on MPs alters their characteristics and perplexes users, including filter-feeders, some of whom choose to eat MPs that have biofilm. It has been proposed that filter feeders like mussels and other bivalves could serve as bioindicators of MP pollution. Mussels are considered selective feeders with particle sorting capability. Two sizes (27-32 µm and 90-106 µm), shapes (microspheres and microfibers), and types (polyethylene, polystyrene and polyester) of MPs were available for the green mussel, Perna viridis, at three concentrations (100 P/ml, 1000 P/ml and 10,000 P/ml). These MPs were incubated in the sea for 0, 3 or 14 days for biofilm development. The presence of the biofilm significantly affected the ingestion of MPs, and the mussels preferred MPs with biofilm, with a higher preference observed for biofilm with a longer incubation period. Additionally, the ingestion rate varied with the interaction between the concentration, size and form of MPs. The findings are discussed in relation to the possibility that mussels serve as MP bioindicators.

Keywords: marine miroplastics, biofilm, bioindicator, green mussel perna viridis

Procedia PDF Downloads 58
6762 Phytolith Analysis of Intrabasaltic Palaeosols (Bole Beds) from the Deccan Volcanic Province of Western India: A Preliminary Study

Authors: Sayyed Mohammed Rafi

Abstract:

Phytolith studies were carried out for the intrabasaltic bole beds occurring in the western part of the Deccan Volcanic Province. This preliminary study indicates the presence of multiform phytoliths both in red and green boles. Red bole indicates well preserved elongate phytoliths from Acanthaceae plants while bulky Bulliform phytoliths mainly from Pleioblastus/ Andropogonea/reeds plants. Degeneration of few phytoliths from red bole indicates either leaching/etching or some other activity that is responsible for such post-preservation conditions. Phytoliths from the green bole, however, seem to be well preserved as compared to those from the red bole. The phytoliths from green bole are mainly of Festucoid types (especially small square and rectangular types) indicating the presence of Chrysobalanaceae type of vegetation followed by elongate phytoliths from Acanthaceae plant types. The Multiform Trichomes seems to be derived from Panicoid/Andropogonoid/Burseraceae/Fabaceae while Bulliforms from Pleioblastus/Andropogonea/reeds. Presences of silicified woody elements from both red and green boles indicate the presence of dicotyledonous plants which could have been in the form of small shrubs. The degenerated phytoliths in red bole suggest leaching/etching or higher intensity of weathering suggesting the existence of well-drained conditions during its formation that enhanced the leaching activity while the presence of well-preserved phytoliths in green bole point towards the existence of damp and desiccated conditions during its formation. The prevalence of dry condition during red bole formation could suggest their formation under higher temperature as compared to green bole. Based on the phytolith analysis it is too early to comment on the palaeoclimates which could have prevailed during the bole bed formations. However a detailed micromorphological, as well as phytolith analysis of more samples, can throw light on the palaeoenvironmental conditions as well as the biological activity during their formation.

Keywords: Deccan volcanic province, intrabasaltic bole beds, palaeoclimate, phytoliths

Procedia PDF Downloads 241
6761 Utilization of Watermelon Rind Extract as Green Anti-Scalent for Cooling Water Systems

Authors: Elsayed G. Zaki, Nora A. Hamad, Hadeel G. El-Shorbagy

Abstract:

The effect of watermelon rind extract as green inhibitors for the formation of calcium sulphate scale have been investigated using conductivity measurements concurrently with the scanning electron microscopy (SEM), and optical microscopic examinations. Mineral scales were deposited from the brine solution by cathodic polarization of the steel surface. The results show up that the anti-scaling property of the extracts could be attributed to the presence of citrulline. In solution, citrulline retards calcium sulphate precipitation via formation of a complex with the calcium cations. Thin, smooth and non adherent film formed over the steel surface, under cathodic polarization, by the deposition of the calcium- citrulline complex. The stability of the aqueous extracts with time was also investigated.

Keywords: anti-scaling, scale inhibitor, green extracts, water treatment

Procedia PDF Downloads 273
6760 A Study on ZnO Nanoparticles Properties: An Integration of Rietveld Method and First-Principles Calculation

Authors: Kausar Harun, Ahmad Azmin Mohamad

Abstract:

Zinc oxide (ZnO) has been extensively used in optoelectronic devices, with recent interest as photoanode material in dye-sensitize solar cell. Numerous methods employed to experimentally synthesized ZnO, while some are theoretically-modeled. Both approaches provide information on ZnO properties, but theoretical calculation proved to be more accurate and timely effective. Thus, integration between these two methods is essential to intimately resemble the properties of synthesized ZnO. In this study, experimentally-grown ZnO nanoparticles were prepared by sol-gel storage method with zinc acetate dihydrate and methanol as precursor and solvent. A 1 M sodium hydroxide (NaOH) solution was used as stabilizer. The optimum time to produce ZnO nanoparticles were recorded as 12 hours. Phase and structural analysis showed that single phase ZnO produced with wurtzite hexagonal structure. Further work on quantitative analysis was done via Rietveld-refinement method to obtain structural and crystallite parameter such as lattice dimensions, space group, and atomic coordination. The lattice dimensions were a=b=3.2498Å and c=5.2068Å which were later used as main input in first-principles calculations. By applying density-functional theory (DFT) embedded in CASTEP computer code, the structure of synthesized ZnO was built and optimized using several exchange-correlation functionals. The generalized-gradient approximation functional with Perdew-Burke-Ernzerhof and Hubbard U corrections (GGA-PBE+U) showed the structure with lowest energy and lattice deviations. In this study, emphasize also given to the modification of valence electron energy level to overcome the underestimation in DFT calculation. Both Zn and O valance energy were fixed at Ud=8.3 eV and Up=7.3 eV, respectively. Hence, the following electronic and optical properties of synthesized ZnO were calculated based on GGA-PBE+U functional within ultrasoft-pseudopotential method. In conclusion, the incorporation of Rietveld analysis into first-principles calculation was valid as the resulting properties were comparable with those reported in literature. The time taken to evaluate certain properties via physical testing was then eliminated as the simulation could be done through computational method.

Keywords: density functional theory, first-principles, Rietveld-refinement, ZnO nanoparticles

Procedia PDF Downloads 308
6759 Defuzzification of Periodic Membership Function on Circular Coordinates

Authors: Takashi Mitsuishi, Koji Saigusa

Abstract:

This paper presents circular polar coordinates transformation of periodic fuzzy membership function. The purpose is identification of domain of periodic membership functions in consequent part of IF-THEN rules. The proposed methods are applied to the simple color construct system.

Keywords: periodic membership function, polar coordinates transformation, defuzzification, circular coordinates

Procedia PDF Downloads 307
6758 Green Aviation System: The Way Forward for Better Environment

Authors: Ramana Reddy, Vijay Kothari

Abstract:

Aircraft provide a fast, reliable mode of transport with no comparable alternative for long distance travel. Throughout the years, technology improvements have been made to aircraft and engines to make them more fuel efficient. Air traffic continues to grow around the world and needs more aircrafts to accommodate such rapid growth. This has direct consequences on two of the most important environmental factors i.e. emissions and noise. Aviation contributes about 2% of global greenhouse gas emissions. Aviation emits a number of pollutants that alter the chemical composition of the atmosphere, changing its radiative balance and hence influencing the climate. In order to reduce or if possible eliminate potential harm to the environment and also make air travel efficient and economical, an environmentally beneficial concept called “Green Aviation System” is required. This is a structured frame work with elements like innovative technologies/tools in engineering design, manufacturing, airport and fleet operations.

Keywords: air traffic, environment, emissions, noise, green aviation system

Procedia PDF Downloads 454
6757 Assessing Green Metrics of Cement Supply Chain in Iran: A Fuzzy DEMATEL Approach

Authors: Hadi Badri Ahmadi, Xuping Wang

Abstract:

Due to strict regulations and public awareness, corporations should develop policies to effectively decrease the negative environmental effects of their products and enhance their supply chain environmental sustainability. Assessment of environmental issues in the context of many industries has been studied in the previous literature. However, Iran cement industry has received less attention from researchers. Therefore, in this paper, we apply a Decision-Making Trial and Evaluation Laboratory (DEMATEL) approach to assess the relationships among green metrics of Iran cement industry supply chain under fuzzy environment. The study findings provide considerable insight for cement industry managers and experts in order to enhance the environmental sustainability of their supply chain and move towards sustainable development.

Keywords: green supply chain, DEMATEL, fuzzy set theory, environmental sustainability, sustainable development, cement industry

Procedia PDF Downloads 413
6756 The Preparation of 2H-Indazolo [2, 1-b] Phthalazinetriones by One-Pot 4,4ʹ-Bipyridinium Dichloride Ordered Mesoporous Silica

Authors: Aigin Bashti

Abstract:

Preparation of multicomponent reactions (MCRs) via a simple one-pot strategy is considered a novel procedure which has attracted a lot of interest from organic and medicinal chemists. Due to the great importance of phthalazide triones, it was decided to introduce a novel and cost-effective green procedure for the preparation of these derivatives. In this methodology, an efficient 4,4ʹ-Bipyridinium Dichloride Ordered Mesoporous Silica functionalized catalyst (BP-SBA-15) was utilized. The catalyst was characterized by X-ray diffraction analysis (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), thermo-gravimetric analysis (TGA), and Fourier-transform infrared spectroscopy (FT-IR) analysis. In conclusion, it should be mentioned that this methodology has some advantages, including short reaction time, high yield of the products, recyclable catalyst, green procedure, and facile work-up procedure. The catalyst was successfully utilized for the one-pot preparation of various phthalazinetrione derivatives.

Keywords: dimedone, green procedure, multicomponent reactions, phthalhydrazide

Procedia PDF Downloads 97
6755 SiC Particulate-Reinforced SiC Composites Fabricated by PIP Method Using Highly Concentrated SiC Slurry

Authors: Jian Gu, Sea-Hoon Lee, Jun-Seop Kim

Abstract:

SiC particulate-reinforced SiC ceramic composites (SiCp/SiC) were successfully fabricated using polymer impregnation and pyrolysis (PIP) method. The effects of green density, infiltrated method, pyrolytic temperature, and heating rate on the densification behavior of the composites were investigated. SiCp/SiC particulate reinforced composites with high relative density up to 88.06% were fabricated after 4 PIP cycles using SiC pellets with high green density. The pellets were prepared by drying 62-70 vol.% aqueous SiC slurries, and the maximum relative density of the pellets was 75.5%. The hardness of the as-fabricated SiCp/SiCs was 21.05 GPa after 4 PIP cycles, which value increased to 23.99 GPa after a heat treatment at 2000℃. Excellent mechanical properties, thermal stability, and short processing time render the SiCp/SiC composite as a challenging candidate for the high-temperature application.

Keywords: high green density, mechanical property, polymer impregnation and pyrolysis, structural application

Procedia PDF Downloads 136
6754 Renewable and Functional Biopolymers Using Green Chemistry

Authors: Aman Ullah

Abstract:

The use of renewable resources in supplementing and/or replacing traditional petrochemical products, through green chemistry, is becoming the focus of research. The utilization of oils can play a primitive role towards sustainable development due to their large scale availability, built-in-functionality, biodegradability and no net CO2 production. Microwaves, being clean, green and environmentally friendly, are emerging as an alternative source for product development. Solvent free conversion of fatty acid methyl esters (FAME's) derived from canola oil and waste cooking oil under microwave irradiation demonstrated dramatically enhanced rates. The microwave-assisted reactions lead to the most valuable terminal olefins with enhanced yields, purities and dramatic shortening of reaction times. Various monomers/chemicals were prepared in high yield in very short time. The complete conversions were observed at temperatures as low as 40 ºC within less than five minutes. The products were characterized by GC-MS, GC-FID and NMR. The monomers were separated and polymerized into different polymers including biopolyesthers, biopolyesters, biopolyamides and biopolyolefins. The polymers were characterized in details for their structural, thermal, mechanical and viscoelastic properties. The ability for complete conversion of oils under solvent free conditions and synthesis of different biopolymers is undoubtedly an attractive concept from both an academic and an industrial point of view.

Keywords: monomers, biopolymers, green chemistry, bioplastics, biomaterials

Procedia PDF Downloads 104
6753 A Literature Review: The Anti-Obesity Effect of Epigallocathecin-3-Gallate of Camellia sinensis (Green Tea) Extraction as a Potential Adjuvant Therapy for Management Obesity

Authors: Nunuy Nuraeni, Vera Amalia Lestari, Atri Laranova, Viena Nissa Mien Fadhillah, Mutia, Muhammad Ikhlas Abdian Putra

Abstract:

Introduction: Obesity is a common disease with high prevalence especially in developing countries including Indonesia. The obesitygenic lifestyle such as excessive intake of food, sedentary lifestyle is the major environmental etiologies of obesity. Obesity is also as one of burden disease with high morbidity due to its complication, such as diabetes mellitus and hypertension. The objective of this literature review is to know how the Epigallocathecin-3-Gallate of Green tea or Camellia sinensis effect as anti-obesity agent and reduce the complication of obesity. Material and Methods: This study based on the secondary data analysis complemented by primary data collection from several journal and textbook. We identified the effect of Epigallocathecin-3-Gallate of Green tea or Camellia sinensis as adjuvant therapy for management obesity and to prevent the complications of obesity. Results: Based on the result, Green tea or Camellia sinensis contain Epigallocathecin-3-Gallate (EGCG) that has anti-obesity effect such as induce apoptosis, inhibit adipogenesis, increasing lipolytic activity, increasing fat oxidation and thermogenesis. Discussion: EGCG are naturally distributed in green tea, that contains a biological activity that has a potential effect to treat obesity. Conclusion: EGCG are capable to treat obesity. By consuming EGCG can prevent obesity in normal health person and prevent complication in patient with obesity.

Keywords: adjuvant therapy, anti-obesity effect, complication, epigallocathecin-3-gallate, obesity

Procedia PDF Downloads 277
6752 The Effect of Internal Auditing Function on the Quality of Financial Reporting: A Theoretical Framework

Authors: Hani Albogami

Abstract:

The internal audit function is considered as one of the internal corporate governance mechanisms that may have an impact on improving earnings quality by constraining earnings management. The internal audit function is also a unique corporate governance mechanism because internal auditors have more involvement with the day-to-day operations comparing to the audit committee, and also internal auditors audit their companies the whole year compared to the external auditor who audits only a certain time of the year. The relationships between internal audit function and earnings management can be understood by some theories. Therefore, this paper provides a theoretical background of the influence of the quality of internal audit function on earnings management. In particular, the agency theory, institutional theory, singling theory, and resource dependency theory are adapted by this paper to provide some understanding and analyses that can be a basis for future research to contribute to the corporate governance academic studies.

Keywords: internal audit, corporate governance, earnings management, accounting

Procedia PDF Downloads 199
6751 Efficient Estimation for the Cox Proportional Hazards Cure Model

Authors: Khandoker Akib Mohammad

Abstract:

While analyzing time-to-event data, it is possible that a certain fraction of subjects will never experience the event of interest, and they are said to be cured. When this feature of survival models is taken into account, the models are commonly referred to as cure models. In the presence of covariates, the conditional survival function of the population can be modelled by using the cure model, which depends on the probability of being uncured (incidence) and the conditional survival function of the uncured subjects (latency), and a combination of logistic regression and Cox proportional hazards (PH) regression is used to model the incidence and latency respectively. In this paper, we have shown the asymptotic normality of the profile likelihood estimator via asymptotic expansion of the profile likelihood and obtain the explicit form of the variance estimator with an implicit function in the profile likelihood. We have also shown the efficient score function based on projection theory and the profile likelihood score function are equal. Our contribution in this paper is that we have expressed the efficient information matrix as the variance of the profile likelihood score function. A simulation study suggests that the estimated standard errors from bootstrap samples (SMCURE package) and the profile likelihood score function (our approach) are providing similar and comparable results. The numerical result of our proposed method is also shown by using the melanoma data from SMCURE R-package, and we compare the results with the output obtained from the SMCURE package.

Keywords: Cox PH model, cure model, efficient score function, EM algorithm, implicit function, profile likelihood

Procedia PDF Downloads 142
6750 A Pilot Study on the Sensory Processing Difficulty Pattern Association between the Hot and Cold Executive Function Deficits in Attention Deficit Hyperactivity Deficit Child

Authors: Sheng-Fen Fan, Sung-Hui Tseng

Abstract:

Attention deficit hyperactivity deficit (ADHD) child display diverse sensory processing difficulty behaviors. There is less evidence to figure out how the association between executive function and sensory deficit. To determine whether sensory deficit influence the executive functions, we examined sensory processing by SPM and try to indicate hot/cold executive function (EF) by BRIEF2, respectively. We found that the hot executive function deficit might associate with auditory processing in a variety of settings, and vestibular input to maintain balance and upright posture; the cold EF deficit might opposite to the hot EF deficit, the vestibular sensory modulation difficulty association with emotion shifting and emotional regulation. These results suggest that sensory processing might be another consideration factor to influence the higher cognitive control or emotional regulation of EF. Overall, this study indicates the distinction between hot and cold EF impairments with different sensory modulation problem. Moreover, for clinician, it needs more cautious consideration to conduct intervention with ADHD.

Keywords: hot executive function, cold executive function, sensory processing, ADHD

Procedia PDF Downloads 283
6749 Green Synthesis of Silver Nanoparticles by Olive Leaf Extract: Application in the Colorimetric Detection of Fe+3 Ions

Authors: Nasibeh Azizi Khereshki

Abstract:

Olive leaf (OL) extract as a green reductant agent was utilized for the biogenic synthesis of silver nanoparticles (Ag NPs) for the first time in this study, and then its performance was evaluated for colorimetric detection of Fe3+ in different media. Some analytical methods were used to characterize the nanosensor. The effective sensing parameters were optimized by central composite design (CCD) combined with response surface methodology (RSM) application. Then, the prepared material's applicability in antibacterial and optical chemical sensing for naked-eye detection of Fe3+ ions in aqueous solutions were evaluated. Furthermore, OL-Ag NPs-loaded paper strips were successfully applied to the colorimetric visualization of Fe3+. The colorimetric probe based on OL-AgNPs illustrated excellent selectivity and sensitivity towards Fe3+ ions, with LOD and LOQ of 0.81 μM and 2.7 μM, respectively. In addition, the developed method was applied to detect Fe3+ ions in real water samples and validated with a 95% confidence level against a reference spectroscopic method.

Keywords: Ag NPs, colorimetric detection, Fe(III) ions, green synthesis, olive leaves

Procedia PDF Downloads 76