Search results for: transition probability density
5304 Calculated Structural and Electronic Properties of Mg and Bi
Authors: G. Patricia Abdel Rahim, Jairo Arbey Rodriguez M, María Guadalupe Moreno Armenta
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The present study shows the structural, electronic and magnetic properties of magnesium (Mg) and bismuth (Bi) in a supercell (1X1X5). For both materials were studied in five crystalline structures: rock salt (NaCl), cesium chloride (CsCl), zinc-blende (ZB), wurtzite (WZ), and nickel arsenide (NiAs), using the Density Functional Theory (DFT), the Generalized Gradient Approximation (GGA), and the Full Potential Linear Augmented Plane Wave (FP-LAPW) method. By means of fitting the Murnaghan's state equation we determine the lattice constant, the bulk modulus and it's derived with the pressure. Also we calculated the density of states (DOS) and the band structure.Keywords: bismuth, magnesium, pseudo-potential, supercell
Procedia PDF Downloads 8225303 Modelling Hydrological Time Series Using Wakeby Distribution
Authors: Ilaria Lucrezia Amerise
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The statistical modelling of precipitation data for a given portion of territory is fundamental for the monitoring of climatic conditions and for Hydrogeological Management Plans (HMP). This modelling is rendered particularly complex by the changes taking place in the frequency and intensity of precipitation, presumably to be attributed to the global climate change. This paper applies the Wakeby distribution (with 5 parameters) as a theoretical reference model. The number and the quality of the parameters indicate that this distribution may be the appropriate choice for the interpolations of the hydrological variables and, moreover, the Wakeby is particularly suitable for describing phenomena producing heavy tails. The proposed estimation methods for determining the value of the Wakeby parameters are the same as those used for density functions with heavy tails. The commonly used procedure is the classic method of moments weighed with probabilities (probability weighted moments, PWM) although this has often shown difficulty of convergence, or rather, convergence to a configuration of inappropriate parameters. In this paper, we analyze the problem of the likelihood estimation of a random variable expressed through its quantile function. The method of maximum likelihood, in this case, is more demanding than in the situations of more usual estimation. The reasons for this lie, in the sampling and asymptotic properties of the estimators of maximum likelihood which improve the estimates obtained with indications of their variability and, therefore, their accuracy and reliability. These features are highly appreciated in contexts where poor decisions, attributable to an inefficient or incomplete information base, can cause serious damages.Keywords: generalized extreme values, likelihood estimation, precipitation data, Wakeby distribution
Procedia PDF Downloads 1385302 Evaluating the Topsoil and Subsoil Physical Quality Using Relative Bulk Density in Urmia Plain
Authors: Hossein Asgarzadeh, Ayoub Osmani, Farrokh Asadzadeh, Mohammad Reza Mosaddeghi
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This study was conducted to evaluate the topsoil and subsoil physical quality using relative bulk density (RBD) in Urmia plain in Iran. Undisturbed samples were collected from two layers (topsoil and subsoil) of thirty agricultural soils. Categories of 0.72 ≥ RBD (low degree of compactness), 0.82 > RBD > 0.72 (moderate/optimum degree of compactness), and RBD ≥ 0.82 (high degree of compactness) were used to evaluate soil physical quality (SPQ). Two topsoils had a low degree of compactness, fourteen topsoils had an optimum degree of compactness, and the rest (i.e., fourteen topsoils) had a high degree of compactness. Only one subsoil had an optimum degree of compactness, and twenty-eight subsoils (i.e., 93%) had a high degree of compactness, indicating poor SPQ of the subsoil layer in the studied region. It seems that conventional tillage in the past decades destroyed the pore system in the majority of studied subsoils. The high degree of compactness would reduce soil aeration and increase soil penetration resistance which could restrict root and plant growth. Conversely, a low degree of soil compactness is expected to reduce the root-soil contact.Keywords: compactness, relative bulk density, soil physical quality
Procedia PDF Downloads 1235301 Numerical Study on the Effect of Obstacle Structure on Two-Phase Detonation Initiation
Authors: Ding Yu, Ge Yang, Wang Hong-Tao
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Aiming at the detonation performance and detonation wave propagation distance of liquid fuel detonation engine, the kerosene/oxygen-enriched air mixture is chosen as the research object; its detonation initiation and detonation wave propagation process by mild energy input are numerically studied by using Euler-Lagrange method in the present study. The effects of a semicircular obstacle, rectangular obstacle, and triangular obstacle on the detonation characteristic parameters in the detonation tube are compared and analyzed, and the effect of the angle between obstacle and flame propagation direction on flame propagation characteristics and detonation process when the blocking ratio is constant are studied. The results show that the flame propagation velocity decreases with the increase of the angle in the range of 0-90°, and when the angle is 0° which corresponds to the semicircle obstacle gets the highest detonation wave propagation velocity. With the increase of the angle in the range of 0-90°, DDT (Deflagration to detonation transition) distance decreases first and then increases.Keywords: deflagration to detonation transition, numerical simulation, obstacle structure, turbulent flame
Procedia PDF Downloads 825300 Comparative Performance of Artificial Bee Colony Based Algorithms for Wind-Thermal Unit Commitment
Authors: P. K. Singhal, R. Naresh, V. Sharma
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This paper presents the three optimization models, namely New Binary Artificial Bee Colony (NBABC) algorithm, NBABC with Local Search (NBABC-LS), and NBABC with Genetic Crossover (NBABC-GC) for solving the Wind-Thermal Unit Commitment (WTUC) problem. The uncertain nature of the wind power is incorporated using the Weibull probability density function, which is used to calculate the overestimation and underestimation costs associated with the wind power fluctuation. The NBABC algorithm utilizes a mechanism based on the dissimilarity measure between binary strings for generating the binary solutions in WTUC problem. In NBABC algorithm, an intelligent scout bee phase is proposed that replaces the abandoned solution with the global best solution. The local search operator exploits the neighboring region of the current solutions, whereas the integration of genetic crossover with the NBABC algorithm increases the diversity in the search space and thus avoids the problem of local trappings encountered with the NBABC algorithm. These models are then used to decide the units on/off status, whereas the lambda iteration method is used to dispatch the hourly load demand among the committed units. The effectiveness of the proposed models is validated on an IEEE 10-unit thermal system combined with a wind farm over the planning period of 24 hours.Keywords: artificial bee colony algorithm, economic dispatch, unit commitment, wind power
Procedia PDF Downloads 3755299 Parameter Estimation for the Mixture of Generalized Gamma Model
Authors: Wikanda Phaphan
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Mixture generalized gamma distribution is a combination of two distributions: generalized gamma distribution and length biased generalized gamma distribution. These two distributions were presented by Suksaengrakcharoen and Bodhisuwan in 2014. The findings showed that probability density function (pdf) had fairly complexities, so it made problems in estimating parameters. The problem occurred in parameter estimation was that we were unable to calculate estimators in the form of critical expression. Thus, we will use numerical estimation to find the estimators. In this study, we presented a new method of the parameter estimation by using the expectation – maximization algorithm (EM), the conjugate gradient method, and the quasi-Newton method. The data was generated by acceptance-rejection method which is used for estimating α, β, λ and p. λ is the scale parameter, p is the weight parameter, α and β are the shape parameters. We will use Monte Carlo technique to find the estimator's performance. Determining the size of sample equals 10, 30, 100; the simulations were repeated 20 times in each case. We evaluated the effectiveness of the estimators which was introduced by considering values of the mean squared errors and the bias. The findings revealed that the EM-algorithm had proximity to the actual values determined. Also, the maximum likelihood estimators via the conjugate gradient and the quasi-Newton method are less precision than the maximum likelihood estimators via the EM-algorithm.Keywords: conjugate gradient method, quasi-Newton method, EM-algorithm, generalized gamma distribution, length biased generalized gamma distribution, maximum likelihood method
Procedia PDF Downloads 2195298 Ultrahigh Thermal Stability of Dielectric Permittivity in 0.6Bi(Mg₁/₂Ti₁/₂)O₃-0.4Ba₀.₈Ca₀.₂(Ti₀.₈₇₅Nb₀.₁₂₅)O₃
Authors: Kaiyuan Chena, Senentxu Lanceros-Méndeza, Laijun Liub, Qi Zhanga
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0.6Bi(Mg1/2Ti1/2)O3-0.4Ba0.8Ca0.2(Nb0.125Ti0.875)O3 (0.6BMT-0.4BCNT) ceramics with a pseudo-cubic structure and re-entrant dipole glass behavior have been investigated via X-ray diffraction and dielectric permittivity-temperature spectra. It shows an excellent dielectric-temperature stability with small variations of dielectric permittivity (± 5%, 420 - 802 K) and dielectric loss tangent (tanδ < 2.5%, 441 - 647 K) in a wide temperature range. Three dielectric anomalies are observed from 290 K to 1050 K. The low-temperature weakly coupled re-entrant relaxor behavior was described using Vogel-Fulcher law and the new glass model. The mid- and high-temperature dielectric anomalies are characterized by isothermal impedance and electrical modulus. The activation energy of both dielectric relaxation and conductivity follows the Arrhenius law in the temperature ranges of 633 - 753 K and 833 - 973 K, respectively. The ultrahigh thermal stability of the dielectric permittivity is attributed to the weakly coupling of polar clusters, the formation of diffuse phase transition (DPT) and the local phase transition of calcium-containing perovskite.Keywords: permittivity, relaxor, electronic ceramics, activation energy
Procedia PDF Downloads 1025297 Airport Pavement Crack Measurement Systems and Crack Density for Pavement Evaluation
Authors: Ali Ashtiani, Hamid Shirazi
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This paper reviews the status of existing practice and research related to measuring pavement cracking and using crack density as a pavement surface evaluation protocol. Crack density for pavement evaluation is currently not widely used within the airport community and its use by the highway community is limited. However, surface cracking is a distress that is closely monitored by airport staff and significantly influences the development of maintenance, rehabilitation and reconstruction plans for airport pavements. Therefore crack density has the potential to become an important indicator of pavement condition if the type, severity and extent of surface cracking can be accurately measured. A pavement distress survey is an essential component of any pavement assessment. Manual crack surveying has been widely used for decades to measure pavement performance. However, the accuracy and precision of manual surveys can vary depending upon the surveyor and performing surveys may disrupt normal operations. Given the variability of manual surveys, this method has shown inconsistencies in distress classification and measurement. This can potentially impact the planning for pavement maintenance, rehabilitation and reconstruction and the associated funding strategies. A substantial effort has been devoted for the past 20 years to reduce the human intervention and the error associated with it by moving toward automated distress collection methods. The automated methods refer to the systems that identify, classify and quantify pavement distresses through processes that require no or very minimal human intervention. This principally involves the use of a digital recognition software to analyze and characterize pavement distresses. The lack of established protocols for measurement and classification of pavement cracks captured using digital images is a challenge to developing a reliable automated system for distress assessment. Variations in types and severity of distresses, different pavement surface textures and colors and presence of pavement joints and edges all complicate automated image processing and crack measurement and classification. This paper summarizes the commercially available systems and technologies for automated pavement distress evaluation. A comprehensive automated pavement distress survey involves collection, interpretation, and processing of the surface images to identify the type, quantity and severity of the surface distresses. The outputs can be used to quantitatively calculate the crack density. The systems for automated distress survey using digital images reviewed in this paper can assist the airport industry in the development of a pavement evaluation protocol based on crack density. Analysis of automated distress survey data can lead to a crack density index. This index can be used as a means of assessing pavement condition and to predict pavement performance. This can be used by airport owners to determine the type of pavement maintenance and rehabilitation in a more consistent way.Keywords: airport pavement management, crack density, pavement evaluation, pavement management
Procedia PDF Downloads 1855296 Organizational Innovations of the 20th Century as High Tech of the 21st: Evidence from Patent Data
Authors: Valery Yakubovich, Shuping wu
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Organization theorists have long claimed that organizational innovations are nontechnological, in part because they are unpatentable. The claim rests on the assumption that organizational innovations are abstract ideas embodied in persons and contexts rather than in context-free practical tools. However, over the last three decades, organizational knowledge has been increasingly embodied in digital tools which, in principle, can be patented. To provide the first empirical evidence regarding the patentability of organizational innovations, we trained two machine learning algorithms to identify a population of 205,434 patent applications for organizational technologies (OrgTech) and, among them, 141,285 applications that use organizational innovations accumulated over the 20th century. Our event history analysis of the probability of patenting an OrgTech invention shows that ideas from organizational innovations decrease the probability of patent allowance unless they describe a practical tool. We conclude that the present-day digital transformation places organizational innovations in the realm of high tech and turns the debate about organizational technologies into the challenge of designing practical organizational tools that embody big ideas about organizing. We outline an agenda for patent-based research on OrgTech as an emerging phenomenon.Keywords: organizational innovation, organizational technology, high tech, patents, machine learning
Procedia PDF Downloads 1225295 Conventional and Computational Investigation of the Synthesized Organotin(IV) Complexes Derived from o-Vanillin and 3-Nitro-o-Phenylenediamine
Authors: Harminder Kaur, Manpreet Kaur, Akanksha Kapila, Reenu
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Schiff base with general formula H₂L was derived from condensation of o-vanillin and 3-nitro-o-phenylenediamine. This Schiff base was used for the synthesis of organotin(IV) complexes with general formula R₂SnL [R=Phenyl or n-octyl] using equimolar quantities. Elemental analysis UV-Vis, FTIR, and multinuclear spectroscopic techniques (¹H, ¹³C, and ¹¹⁹Sn) NMR were carried out for the characterization of the synthesized complexes. These complexes were coloured and soluble in polar solvents. Computational studies have been performed to obtain the details of the geometry and electronic structures of ligand as well as complexes. Geometry of the ligands and complexes have been optimized at the level of Density Functional Theory with B3LYP/6-311G (d,p) and B3LYP/MPW1PW91 respectively followed by vibrational frequency analysis using Gaussian 09. Observed ¹¹⁹Sn NMR chemical shifts of one of the synthesized complexes showed tetrahedral geometry around Tin atom which is also confirmed by DFT. HOMO-LUMO energy distribution was calculated. FTIR, ¹HNMR and ¹³CNMR spectra were also obtained theoretically using DFT. Further IRC calculations were employed to determine the transition state for the reaction and to get the theoretical information about the reaction pathway. Moreover, molecular docking studies can be explored to ensure the anticancer activity of the newly synthesized organotin(IV) complexes.Keywords: DFT, molecular docking, organotin(IV) complexes, o-vanillin, 3-nitro-o-phenylenediamine
Procedia PDF Downloads 1605294 Radiation Emission from Ultra-Relativistic Plasma Electrons in Short-Pulse Laser Light Interactions
Authors: R. Ondarza-Rovira, T. J. M. Boyd
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Intense femtosecond laser light incident on over-critical density plasmas has shown to emit a prolific number of high-order harmonics of the driver frequency, with spectra characterized by power-law decays Pm ~ m-p, where m denotes the harmonic order and p the spectral decay index. When the laser pulse is p-polarized, plasma effects do modify the harmonic spectrum, weakening the so-called universal decay with p=8/3 to p=5/3, or below. In this work, appeal is made to a single particle radiation model in support of the predictions from particle-in-cell (PIC) simulations. Using this numerical technique we further show that the emission radiated by electrons -that are relativistically accelerated by the laser field inside the plasma, after being expelled into vacuum, the so-called Brunel electrons is characterized not only by the plasma line but also by ultraviolet harmonic orders described by the 5/3 decay index. Results obtained from these simulations suggest that for ultra-relativistic light intensities, the spectral decay index is further reduced, with p now in the range 2/3 ≤ p ≤ 4/3. This reduction is indicative of a transition from the regime where Brunel-induced plasma radiation influences the spectrum to one dominated by bremsstrahlung emission from the Brunel electrons.Keywords: ultra-relativistic, laser-plasma interactions, high-order harmonic emission, radiation, spectrum
Procedia PDF Downloads 4645293 Advanced Analysis on Dissemination of Pollutant Caused by Flaring System Effect Using Computational Fluid Dynamics (CFD) Fluent Model with WRF Model Input in Transition Season
Authors: Benedictus Asriparusa
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In the area of the oil industry, there is accompanied by associated natural gas. The thing shows that a large amount of energy is being wasted mostly in the developing countries by contributing to the global warming process. This research represents an overview of methods in Minas area employed by these researchers in PT. Chevron Pacific Indonesia to determine ways of measuring and reducing gas flaring and its emission drastically. It provides an approximation includes analytical studies, numerical studies, modeling, computer simulations, etc. Flaring system is the controlled burning of natural gas in the course of routine oil and gas production operations. This burning occurs at the end of a flare stack or boom. The combustion process will release emissions of greenhouse gases such as NO2, CO2, SO2, etc. This condition will affect the air and environment around the industrial area. Therefore, we need a simulation to create the pattern of the dissemination of pollutant. This research paper has being made to see trends in gas flaring model and current developments to predict dominant variable which gives impact to dissemination of pollutant. Fluent models used to simulate the distribution of pollutant gas coming out of the stack. While WRF model output is used to overcome the limitations of the analysis of meteorological data and atmospheric conditions in the study area. This study condition focused on transition season in 2012 at Minas area. The goal of the simulation is looking for the exact time which is most influence towards dissemination of pollutants. The most influence factor divided into two main subjects. It is the quickest wind and the slowest wind. According to the simulation results, it can be seen that quickest wind moves to horizontal way and slowest wind moves to vertical way.Keywords: flaring system, fluent model, dissemination of pollutant, transition season
Procedia PDF Downloads 3805292 Stochastic Nuisance Flood Risk for Coastal Areas
Authors: Eva L. Suarez, Daniel E. Meeroff, Yan Yong
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The U.S. Federal Emergency Management Agency (FEMA) developed flood maps based on experts’ experience and estimates of the probability of flooding. Current flood-risk models evaluate flood risk with regional and subjective measures without impact from torrential rain and nuisance flooding at the neighborhood level. Nuisance flooding occurs in small areas in the community, where a few streets or blocks are routinely impacted. This type of flooding event occurs when torrential rainstorm combined with high tide and sea level rise temporarily exceeds a given threshold. In South Florida, this threshold is 1.7 ft above Mean Higher High Water (MHHW). The National Weather Service defines torrential rain as rain deposition at a rate greater than 0.3-inches per hour or three inches in a single day. Data from the Florida Climate Center, 1970 to 2020, shows 371 events with more than 3-inches of rain in a day in 612 months. The purpose of this research is to develop a data-driven method to determine comprehensive analytical damage-avoidance criteria that account for nuisance flood events at the single-family home level. The method developed uses the Failure Mode and Effect Analysis (FMEA) method from the American Society of Quality (ASQ) to estimate the Damage Avoidance (DA) preparation for a 1-day 100-year storm. The Consequence of Nuisance Flooding (CoNF) is estimated from community mitigation efforts to prevent nuisance flooding damage. The Probability of Nuisance Flooding (PoNF) is derived from the frequency and duration of torrential rainfall causing delays and community disruptions to daily transportation, human illnesses, and property damage. Urbanization and population changes are related to the U.S. Census Bureau's annual population estimates. Data collected by the United States Department of Agriculture (USDA) Natural Resources Conservation Service’s National Resources Inventory (NRI) and locally by the South Florida Water Management District (SFWMD) track the development and land use/land cover changes with time. The intent is to include temporal trends in population density growth and the impact on land development. Results from this investigation provide the risk of nuisance flooding as a function of CoNF and PoNF for coastal areas of South Florida. The data-based criterion provides awareness to local municipalities on their flood-risk assessment and gives insight into flood management actions and watershed development.Keywords: flood risk, nuisance flooding, urban flooding, FMEA
Procedia PDF Downloads 1005291 Investigation of Martensitic Transformation Zone at the Crack Tip of NiTi under Mode-I Loading Using Microscopic Image Correlation
Authors: Nima Shafaghi, Gunay Anlaş, C. Can Aydiner
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A realistic understanding of martensitic phase transition under complex stress states is key for accurately describing the mechanical behavior of shape memory alloys (SMAs). Particularly regarding the sharply changing stress fields at the tip of a crack, the size, nature and shape of transformed zones are of great interest. There is significant variation among various analytical models in their predictions of the size and shape of the transformation zone. As the fully transformed region remains inside a very small boundary at the tip of the crack, experimental validation requires microscopic resolution. Here, the crack tip vicinity of NiTi compact tension specimen has been monitored in situ with microscopic image correlation with 20x magnification. With nominal 15 micrometer grains and 0.2 micrometer per pixel optical resolution, the strains at the crack tip are mapped with intra-grain detail. The transformation regions are then deduced using an equivalent strain formulation.Keywords: digital image correlation, fracture, martensitic phase transition, mode I, NiTi, transformation zone
Procedia PDF Downloads 3535290 Solution Thermodynamics, Photophysical and Computational Studies of TACH2OX, a C-3 Symmetric 8-Hydroxyquinoline: Abiotic Siderophore Analogue of Enterobactin
Authors: B. K. Kanungo, Monika Thakur, Minati Baral
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8-hydroxyquinoline, (8HQ), experiences a renaissance due to its utility as a building block in metallosupramolecular chemistry and its versatile use of its derivatives in various fields of analytical chemistry, materials science, and pharmaceutics. It forms stable complexes with a variety of metal ions. Assembly of more than one such unit to form a polydentate chelator enhances its coordinating ability and the related properties due to the chelate effect resulting in high stability constant. Keeping in view the above, a nonadentate chelator N-[3,5-bis(8-hydroxyquinoline-2-amido)cyclohexyl]-8-hydroxyquinoline-2-carboxamide, (TACH2OX), containing a central cis,cis-1,3,5-triaminocyclohexane appended to three 8-hydroxyquinoline at 2-position through amide linkage is developed, and its solution thermodynamics, photophysical and Density Functional Theory (DFT) studies were undertaken. The synthesis of TACH2OX was carried out by condensation of cis,cis-1,3,5-triaminocyclohexane, (TACH) with 8‐hydroxyquinoline‐2‐carboxylic acid. The brown colored solid has been fully characterized through melting point, infrared, nuclear magnetic resonance, electrospray ionization mass and electronic spectroscopy. In solution, TACH2OX forms protonated complexes below pH 3.4, which consecutively deprotonates to generate trinegative ion with the rise of pH. Nine protonation constants for the ligand were obtained that ranges between 2.26 to 7.28. The interaction of the chelator with two trivalent metal ion Fe3+ and Al3+ were studied in aqueous solution at 298 K. The metal-ligand formation constants (ML) obtained by potentiometric and spectrophotometric method agree with each other. The protonated and hydrolyzed species were also detected in the system. The in-silico studies of the ligand, as well as the complexes including their protonated and deprotonated species assessed by density functional theory technique, gave an accurate correlation with each observed properties such as the protonation constants, stability constants, infra-red, nmr, electronic absorption and emission spectral bands. The nature of electronic and emission spectral bands in terms of number and type were ascertained from time-dependent density functional theory study and the natural transition orbitals (NTO). The global reactivity indices parameters were used for comparison of the reactivity of the ligand and the complex molecules. The natural bonding orbital (NBO) analysis could successfully describe the structure and bonding of the metal-ligand complexes specifying the percentage of contribution in atomic orbitals in the creation of molecular orbitals. The obtained high value of metal-ligand formation constants indicates that the newly synthesized chelator is a very powerful synthetic chelator. The minimum energy molecular modeling structure of the ligand suggests that the ligand, TACH2OX, in a tripodal fashion firmly coordinates to the metal ion as hexa-coordinated chelate displaying distorted octahedral geometry by binding through three sets of N, O- donor atoms, present in each pendant arm of the central tris-cyclohexaneamine tripod.Keywords: complexes, DFT, formation constant, TACH2OX
Procedia PDF Downloads 1505289 A Multi-Scale Study of Potential-Dependent Ammonia Synthesis on IrO₂ (110): DFT, 3D-RISM, and Microkinetic Modeling
Authors: Shih-Huang Pan, Tsuyoshi Miyazaki, Minoru Otani, Santhanamoorthi Nachimuthu, Jyh-Chiang Jiang
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Ammonia (NH₃) is crucial in renewable energy and agriculture, yet its traditional production via the Haber-Bosch process faces challenges due to the inherent inertness of nitrogen (N₂) and the need for high temperatures and pressures. The electrocatalytic nitrogen reduction (ENRR) presents a more sustainable option, functioning at ambient conditions. However, its advancement is limited by selectivity and efficiency challenges due to the competing hydrogen evolution reaction (HER). The critical roles of protonation of N-species and HER highlight the necessity of selecting optimal catalysts and solvents to enhance ENRR performance. Notably, transition metal oxides, with their adjustable electronic states and excellent chemical and thermal stability, have shown promising ENRR characteristics. In this study, we use density functional theory (DFT) methods to investigate the ENRR mechanisms on IrO₂ (110), a material known for its tunable electronic properties and exceptional chemical and thermal stability. Employing the constant electrode potential (CEP) model, where the electrode - electrolyte interface is treated as a polarizable continuum with implicit solvation, and adjusting electron counts to equalize work functions in the grand canonical ensemble, we further incorporate the advanced 3D Reference Interaction Site Model (3D-RISM) to accurately determine the ENRR limiting potential across various solvents and pH conditions. Our findings reveal that the limiting potential for ENRR on IrO₂ (110) is significantly more favorable than for HER, highlighting the efficiency of the IrO₂ catalyst for converting N₂ to NH₃. This is supported by the optimal *NH₃ desorption energy on IrO₂, which enhances the overall reaction efficiency. Microkinetic simulations further predict a promising NH₃ production rate, even at the solution's boiling point¸ reinforcing the catalytic viability of IrO₂ (110). This comprehensive approach provides an atomic-level understanding of the electrode-electrolyte interface in ENRR, demonstrating the practical application of IrO₂ in electrochemical catalysis. The findings provide a foundation for developing more efficient and selective catalytic strategies, potentially revolutionizing industrial NH₃ production.Keywords: density functional theory, electrocatalyst, nitrogen reduction reaction, electrochemistry
Procedia PDF Downloads 215288 Experimental and Characterization Studies on Micro Direct Methanol Fuel Cell
Authors: S. Muthuraja Soundrapandian, C.K. Subramaniam
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A micro Direct Methanol Fuel Cell (DMFC) of 1 cm2 active area with selective sensor materials to sense methanol for redox, has been developed. Among different Pt alloys, Pt-Sn/C was able to produce high current density and repeatability. Membrane Elecctrode Assembly (MEA) of anode catalyst Pt-Sn/C was prepared with nafion as active membrane and Pt black as cathode catalyst. The sensor’s maximum ability to detect the trace levels of methanol in ppm has been analyzed. A compact sensor set up has also been made and the characterization studies were carried out. The acceptable value of current density was derived by the cell and the results are able to fulfill the needs of DMFC technology for the practical applications.Keywords: DMFC, sensor, MEA, Pt-Sn
Procedia PDF Downloads 1405287 Understanding the Thermal Resistance of Active Dry Yeast by Differential Scanning Calorimetry Approach
Authors: Pauline Ribert, Gaelle Roudaut, Sebastien Dupont, Laurent Beney
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Yeasts, anhydrobiotic organisms, can survive extreme water disturbances, thanks to the prolonged and reversible suspension of their cellular activity as well as the establishment of a defense arsenal. This property is exploited by many industrialists. One of the protection systems implemented by yeast is the vitrification of its cytoplasm by trehalose. The thermal resistance of dry yeasts is a crucial parameter for their use. However, studies on the thermal resistance of dry yeasts are often based on yeasts produced in laboratory conditions with non-optimal drying processes. We, therefore, propose a study on the thermal resistance of industrial dry yeasts in relation to their thermophysical properties. Heat stress was applied at three temperatures (50, 75, and 100°C) for 10, 30, or 60-minute treatments. The survival of yeasts to these treatments was estimated, and their thermophysical properties were studied by differential scanning calorimetry. The industrial dry yeasts resisted 60 minutes at 50°C and 75°C and 10 minutes at a temperature close to 100°C. At 100°C, yeast was above their glass transition temperature. Industrial dry yeasts are therefore capable of withstanding high thermal stress if maintained in a specific thermophysical state.Keywords: dry yeast, glass transition, thermal resistance, vitrification
Procedia PDF Downloads 1505286 Preparation and Electro-Optic Characteristics of Polymer Network Liquid Crystals Based On Polymethylvinilpirydine and Polyethylene Glycol
Authors: T. D. Ibragimov, A. R. Imamaliyev, G. M. Bayramov
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The polymer network liquid crystals based on the liquid crystals Н37 and 5CB with polymethylvinilpirydine (PMVP) and polyethylene glycol (PEG) have been developed. Mesogene substance 4-n-heptyoxibenzoic acid (HOBA) is served for stabilization of obtaining composites. Kinetics of network formation is investigated by methods of polarization microscopy and integrated small-angle scattering. It is shown that gel-like states of the composite H-37 + PMVP + HOBA and 5CB+PEG+HOBA are formed at polymer concentration above 7 % and 9 %, correspondingly. At slow cooling, the system separates into a liquid crystal –rich phase and a liquid crystal-poor phase. At this case, transition of these phases in the H-37 + PMVP + HOBA (87 % + 12 % + 1 %) composite to an anisotropic state occurs at 49 оС and и 41 оС, accordingly, while the composite 5CB+PEG+HOBA (85% +13 % +2%) passes to anisotropic state at 36 оС corresponding to the isotropic-nematic transition of pure 5CB. The basic electro-optic parameters of the obtained composites are determined at room temperature. It is shown that the threshold voltage of the composite H-37 + PMVP + HOBA increase in comparison with pure H-37 and, accordingly, there is a shift of voltage dependence of rise times to the high voltage region. The contrast ratio worsens while decay time improves in comparison with the pure liquid crystal at all applied voltage. The switching times of the composite 5CB + PEG + HOBA (85% +13 % +2%) show anomalous behavior connected with incompleteness of the transition to an anisotropic state. Experimental results are explained by phase separation of the system, diminution of a working area of electro-optical effects and influence of areas with the high polymer concentration on areas with their low concentration.Keywords: liquid crystals, polymers, small-angle scattering, optical properties
Procedia PDF Downloads 6175285 Determinants of Income Diversification among Support Zone Communities of National Parks in Nigeria
Authors: Daniel Etim Jacob, Samuel Onadeko, Edem A. Eniang, Imaobong Ufot Nelson
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This paper examined determinants of income diversification among households in support zones communities of national parks in Nigeria. This involved the use household data collected through questionnaires administered randomly among 1009 household heads in the study area. The data obtained were analyzed using probability and non-probability statistical analysis such as regression and analysis of variance to test for mean difference between parks. The result obtained indicates that majority of the household heads were male (92.57%0, between the age class of 21 – 40 years (44.90%), had non-formal education (38.16%), were farmers (65.21%), owned land (95.44%), with a household size of 1 – 5 (36.67%) and an annual income range of ₦401,000 - ₦600,000 (24.58%). Mean Simpson index of diversity showed a general low (0.375) level of income diversification among the households. Income, age, off-farm dependence, education, household size and occupation where significant (p<0.01) factors that affected households’ income diversification. The study recommends improvement in the existing infrastructures and social capital in the communities as avenues to improve the livelihood and ensure positive conservation behaviors in the study area.Keywords: income diversification, protected area, livelihood, poverty, Nigeria
Procedia PDF Downloads 1435284 Thermal Simulation for Urban Planning in Early Design Phases
Authors: Diego A. Romero Espinosa
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Thermal simulations are used to evaluate comfort and energy consumption of buildings. However, the performance of different urban forms cannot be assessed precisely if an environmental control system and user schedules are considered. The outcome of such analysis would lead to conclusions that combine the building use, operation, services, envelope, orientation and density of the urban fabric. The influence of these factors varies during the life cycle of a building. The orientation, as well as the surroundings, can be considered a constant during the lifetime of a building. The structure impacts the thermal inertia and has the largest lifespan of all the building components. On the other hand, the building envelope is the most frequent renovated component of a building since it has a great impact on energy performance and comfort. Building services have a shorter lifespan and are replaced regularly. With the purpose of addressing the performance, an urban form, a specific orientation, and density, a thermal simulation method were developed. The solar irradiation is taken into consideration depending on the outdoor temperature. Incoming irradiation at low temperatures has a positive impact increasing the indoor temperature. Consequently, overheating would be the combination of high outdoor temperature and high irradiation at the façade. On this basis, the indoor temperature is simulated for a specific orientation of the evaluated urban form. Thermal inertia and building envelope performance are considered additionally as the materiality of the building. The results of different thermal zones are summarized using the 'Degree day method' for cooling and heating. During the early phase of a design process for a project, such as Masterplan, conclusions regarding urban form, density and materiality can be drawn by means of this analysis.Keywords: building envelope, density, masterplanning, urban form
Procedia PDF Downloads 1455283 Thermo-Mechanical Characterization of MWCNTs-Modified Epoxy Resin
Authors: M. Dehghan, R. Al-Mahaidi, I. Sbarski
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An industrial epoxy adhesive used in Carbon Fiber Reinforced Polymer (CFRP)-strengthening systems was modified by dispersing multi-walled carbon nanotubes (MWCNTs). Nanocomposites were fabricated using solvent-assisted dispersion method and ultrasonic mixing. Thermogravimetric analysis (TGA), dynamic mechanical analysis (DMA) and tensile tests were conducted to study the effect of nanotubes dispersion on the thermal and mechanical properties of the epoxy composite. Experimental results showed a substantial enhancement in the decomposition temperature and tensile properties of epoxy composite, while, the glass transition temperature (Tg) was slightly reduced due to the solvent effect. The morphology of the epoxy nanocomposites was investigated by SEM. It was proved that using solvent improves the nanotubes dispersion. However, at contents higher than 2 wt. %, nanotubes started to re-bundle in the epoxy matrix which negatively affected the final properties of epoxy composite.Keywords: carbon fiber reinforced polymer, epoxy, multi-walled carbon nanotube, DMA, glass transition temperature
Procedia PDF Downloads 3435282 Comparison of Iodine Density Quantification through Three Material Decomposition between Philips iQon Dual Layer Spectral CT Scanner and Siemens Somatom Force Dual Source Dual Energy CT Scanner: An in vitro Study
Authors: Jitendra Pratap, Jonathan Sivyer
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Introduction: Dual energy/Spectral CT scanning permits simultaneous acquisition of two x-ray spectra datasets and can complement radiological diagnosis by allowing tissue characterisation (e.g., uric acid vs. non-uric acid renal stones), enhancing structures (e.g. boost iodine signal to improve contrast resolution), and quantifying substances (e.g. iodine density). However, the latter showed inconsistent results between the 2 main modes of dual energy scanning (i.e. dual source vs. dual layer). Therefore, the present study aimed to determine which technology is more accurate in quantifying iodine density. Methods: Twenty vials with known concentrations of iodine solutions were made using Optiray 350 contrast media diluted in sterile water. The concentration of iodine utilised ranged from 0.1 mg/ml to 1.0mg/ml in 0.1mg/ml increments, 1.5 mg/ml to 4.5 mg/ml in 0.5mg/ml increments followed by further concentrations at 5.0 mg/ml, 7mg/ml, 10 mg/ml and 15mg/ml. The vials were scanned using Dual Energy scan mode on a Siemens Somatom Force at 80kV/Sn150kV and 100kV/Sn150kV kilovoltage pairing. The same vials were scanned using Spectral scan mode on a Philips iQon at 120kVp and 140kVp. The images were reconstructed at 5mm thickness and 5mm increment using Br40 kernel on the Siemens Force and B Filter on Philips iQon. Post-processing of the Dual Energy data was performed on vendor-specific Siemens Syngo VIA (VB40) and Philips Intellispace Portal (Ver. 12) for the Spectral data. For each vial and scan mode, the iodine concentration was measured by placing an ROI in the coronal plane. Intraclass correlation analysis was performed on both datasets. Results: The iodine concentrations were reproduced with a high degree of accuracy for Dual Layer CT scanner. Although the Dual Source images showed a greater degree of deviation in measured iodine density for all vials, the dataset acquired at 80kV/Sn150kV had a higher accuracy. Conclusion: Spectral CT scanning by the dual layer technique has higher accuracy for quantitative measurements of iodine density compared to the dual source technique.Keywords: CT, iodine density, spectral, dual-energy
Procedia PDF Downloads 1205281 Off-Line Text-Independent Arabic Writer Identification Using Optimum Codebooks
Authors: Ahmed Abdullah Ahmed
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The task of recognizing the writer of a handwritten text has been an attractive research problem in the document analysis and recognition community with applications in handwriting forensics, paleography, document examination and handwriting recognition. This research presents an automatic method for writer recognition from digitized images of unconstrained writings. Although a great effort has been made by previous studies to come out with various methods, their performances, especially in terms of accuracy, are fallen short, and room for improvements is still wide open. The proposed technique employs optimal codebook based writer characterization where each writing sample is represented by a set of features computed from two codebooks, beginning and ending. Unlike most of the classical codebook based approaches which segment the writing into graphemes, this study is based on fragmenting a particular area of writing which are beginning and ending strokes. The proposed method starting with contour detection to extract significant information from the handwriting and the curve fragmentation is then employed to categorize the handwriting into Beginning and Ending zones into small fragments. The similar fragments of beginning strokes are grouped together to create Beginning cluster, and similarly, the ending strokes are grouped to create the ending cluster. These two clusters lead to the development of two codebooks (beginning and ending) by choosing the center of every similar fragments group. Writings under study are then represented by computing the probability of occurrence of codebook patterns. The probability distribution is used to characterize each writer. Two writings are then compared by computing distances between their respective probability distribution. The evaluations carried out on ICFHR standard dataset of 206 writers using Beginning and Ending codebooks separately. Finally, the Ending codebook achieved the highest identification rate of 98.23%, which is the best result so far on ICFHR dataset.Keywords: off-line text-independent writer identification, feature extraction, codebook, fragments
Procedia PDF Downloads 5125280 Evaluation of Vine Stem Waste as a Filler Material for High Density Polyethylene
Authors: Y. Seki, A. Ç. Kılıç, M. Atagür, O. Özdemir, İ. Şen, K. Sever, Ö. Seydibeyoğlu, M. Sarikanat, N. Küçükdoğan
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Cheap and abundant waste materials have been investigated as filler materials in thermoplastic polymers instead of wood- based materials because of deforestation. Vine stem, as an agricultural waste, was used as a filler material for a thermoplastic polymer, high-density polyethylene (HDPE) in this study. Agricultural waste of vine stem was collected from Manisa region, Turkey. Vine stem at different rations was used to reinforce HDPE. The effect of vine stem loading on tensile strength and Young’s modulus of composites were obtained. It was clearly observed that tensile strength and Young’s modulus of HDPE was increased by vine stem loading. Thermal stabilities of composites were obtained by using thermogravimetric analysis. Water absorption behavior of HDPE was improved by loading vine stem into HDPE. The crystallinity index values of neat HDPE and vine stem loaded HDPE composites were investigated byX-ray diffraction analysis. From this study, it was inferred that vine stem, as an agricultural waste, can be used as a filler material for HDPE.Keywords: waste filler, high density polyethylene, composite, composite materials
Procedia PDF Downloads 5175279 Towards Binder-Free and Self Supporting Flexible Supercapacitor from Carbon Nano-Onions and Their Composite with CuO Nanoparticles
Authors: Debananda Mohapatra, Subramanya Badrayyana, Smrutiranjan Parida
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Recognizing the upcoming era of carbon nanostructures and their revolutionary applications, we investigated the formation and supercapacitor application of highly pure and hydrophilic carbon nano-onions (CNOs) by economical one-step flame-synthesis procedure. The facile and scalable method uses easily available organic carbon source such as clarified butter, restricting the use of any catalyst, sophisticated instrumentation, high vacuum and post processing purification procedure. The active material was conformally coated onto a locally available cotton wipe by “sonicating and drying” process to obtain novel, lightweight, inexpensive, flexible, binder-free electrodes with strong adhesion between nanoparticles and porous wipe. This interesting electrode with CNO as the active material delivers a specific capacitance of 102.16 F/g, the energy density of 14.18 Wh/kg and power density of 2448 W/kg which are the highest values reported so far in symmetrical two electrode cell configuration with 1M Na2SO4 as an electrolyte. Incorporation of CuO nanoparticles to these functionalized CNOs by one-step hydrothermal method add up to a significant specific capacitance of 420 F/g with deliverable energy and power density at 58.33 Wh/kg and 4228 W/kg, respectively. The free standing CNOs, as well as CNO-CuO composite electrode, showed an excellent cyclic performance and stability retaining 95 and 90% initial capacitance even after 5000 charge-discharge cycles at a current density of 5 A/g. This work presents a new platform for high performance supercapacitors for next generation wearable electronic devices.Keywords: binder-free, flame synthesis, flexible, carbon nano-onion
Procedia PDF Downloads 1975278 The Public Policy of Energy Subsidies Reform in Egypt
Authors: Doaa Nounou
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This research examines the public policy energy subsidies reform efforts in Egypt since 2014. Egypt’s widely used energy subsidies have been controversial since they were first introduced, as they inadequately target the poorest part of the population. Also, their effect on economic development and democratic transition became very challenging in recent years. This research argues that although subsidy reform is a highly politicalized issue in democratizing countries, there are still a number of pragmatic public policies that can be applied to make the subsidy system function more efficiently and at the same time decrease inequality which could facilitate a more orderly and peaceful transition to democracy. Therefore, this research attempts to study the role of the executive branch in reforming the subsidy programmes to support the poor and bring about structural changes to achieve social justice and economic growth. This research also attempts to analyze the role of the military and civil society in reforming the subsidy system. Moreover, it attempts to discuss the role of the state media in social mobilization to rationalize consumption and its contribution to subsidies reform.Keywords: subsidies, public policy, political economy, democratization, equality
Procedia PDF Downloads 2195277 Linkages between Innovation Policies and SMEs' Innovation Activities: Empirical Evidence from 15 Transition Countries
Authors: Anita Richter
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Innovation is one of the key foundations of competitive advantage, generating growth and welfare worldwide. Consequently, all firms should innovate to bring new ideas to the market. Innovation is a vital growth driver, particularly for transition countries to move towards knowledge-based, high-income economies. However, numerous barriers, such as financial, regulatory or infrastructural constraints prevent, in particular, new and small firms in transition countries from innovating. Thus SMEs’ innovation output may benefit substantially from government support. This research paper aims to assess the effect of government interventions on innovation activities in SMEs in emerging countries. Until now academic research related to the innovation policies focused either on single country and/or high-income countries assessments and less on cross-country and/or low and middle-income countries. Therefore the paper seeks to close the research gap by providing empirical evidence from 8,500 firms in 15 transition countries (Eastern Europe, South Caucasus, South East Europe, Middle East and North Africa). Using firm-level data from the Business Environment and Enterprise Performance Survey of the World Bank and EBRD and policy data from the SME Policy Index of the OECD, the paper investigates how government interventions affect SME’s likelihood of investing in any technological and non-technological innovation. Using the Standard Linear Regression, the impact of government interventions on SMEs’ innovation output and R&D activities is measured. The empirical analysis suggests that a firm’s decision to invest into innovative activities is sensitive to government interventions. A firm’s likelihood to invest into innovative activities increases by 3% to 8%, if the innovation eco-system noticeably improves (measured by an increase of 1 level in the SME Policy Index). At the same time, a better eco-system encourages SMEs to invest more in R&D. Government reforms in establishing a dedicated policy framework (IP legislation), institutional infrastructure (science and technology parks, incubators) and financial support (public R&D grants, innovation vouchers) are particularly relevant to stimulate innovation performance in SMEs. Particular segments of the SME population, namely micro and manufacturing firms, are more likely to benefit from an increased innovation framework conditions. The marginal effects are particularly strong on product innovation, process innovation, and marketing innovation, but less on management innovation. In conclusion, government interventions supporting innovation will likely lead to higher innovation performance of SMEs. They increase productivity at both firm and country level, which is a vital step in transitioning towards knowledge-based market economies.Keywords: innovation, research and development, government interventions, economic development, small and medium-sized enterprises, transition countries
Procedia PDF Downloads 3245276 Direct Current Grids in Urban Planning for More Sustainable Urban Energy and Mobility
Authors: B. Casper
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The energy transition towards renewable energies and drastically reduced carbon dioxide emissions in Germany drives multiple sectors into a transformation process. Photovoltaic and on-shore wind power are predominantly feeding in the low and medium-voltage grids. The electricity grid is not laid out to allow an increasing feed-in of power in low and medium voltage grids. Electric mobility is currently in the run-up phase in Germany and still lacks a significant amount of charging stations. The additional power demand by e-mobility cannot be supplied by the existing electric grids in most cases. The future demands in heating and cooling of commercial and residential buildings are increasingly generated by heat-pumps. Yet the most important part in the energy transition is the storage of surplus energy generated by photovoltaic and wind power sources. Water electrolysis is one way to store surplus energy known as power-to-gas. With the vehicle-to-grid technology, the upcoming fleet of electric cars could be used as energy storage to stabilize the grid. All these processes use direct current (DC). The demand of bi-directional flow and higher efficiency in the future grids can be met by using DC. The Flexible Electrical Networks (FEN) research campus at RWTH Aachen investigates interdisciplinary about the advantages, opportunities, and limitations of DC grids. This paper investigates the impact of DC grids as a technological innovation on the urban form and urban life. Applying explorative scenario development, analyzation of mapped open data sources on grid networks and research-by-design as a conceptual design method, possible starting points for a transformation to DC medium voltage grids could be found. Several fields of action have emerged in which DC technology could become a catalyst for future urban development: energy transition in urban areas, e-mobility, and transformation of the network infrastructure. The investigation shows a significant potential to increase renewable energy production within cities with DC grids. The charging infrastructure for electric vehicles will predominantly be using DC in the future because fast and ultra fast charging can only be achieved with DC. Our research shows that e-mobility, combined with autonomous driving has the potential to change the urban space and urban logistics fundamentally. Furthermore, there are possible win-win-win solutions for the municipality, the grid operator and the inhabitants: replacing overhead transmission lines by underground DC cables to open up spaces in contested urban areas can lead to a positive example of how the energy transition can contribute to a more sustainable urban structure. The outlook makes clear that target grid planning and urban planning will increasingly need to be synchronized.Keywords: direct current, e-mobility, energy transition, grid planning, renewable energy, urban planning
Procedia PDF Downloads 1285275 Compactness and Quality of Life: Applying Regression Analysis on American Cities
Authors: Hsi-Chuan Wang, Hongxi Yin
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Compactness has been proposed as a type of sustainable urban form globally. However, the meanings and the measurements might diverse in regarding to the varying interpretation; moreover, since compactness was proposed to eliminate auto culture and urban sprawl in the developed countries, voices have emerged asking to rethink the suitability of compactness in the developing countries – based upon such understanding, Quality of Life (QOL) has been suggested as a good way to show the overall benefit of compactness. In regarding to such background, two subjects were targeted for discussion in this paper: (I) the meaning and feasibility of compactness between the developing and developed countries, and (II) the interaction between compactness and QOL. This paper argues that compactness should not be considered a universal principle for cities of all kind, but rather an ideal concept for urban designer and planner to consider throughout local practices. It firstly reviewed the benefits of both compactness and sprawl to uncover the features behind these urban forms, and later addressed the meaning and difficulty of adopting compactness in both the developing and developed countries. Secondly, arguing compactness to be positioned as a ‘process’ along the transition from the developing countries to the developed ones, this paper applied both cross-sectional and longitudinal analysis to uncover (I) the relationship between compactness and QOL in regarding to 30 American cities and (II) the impact of ‘becoming compact’ on QOL in regarding to 8 identified American Urbanized Areas (UZAs). The findings indicated that higher compactness could link to lower QOL among the compact cities, but with higher QOL among the sprawl cities. In addition, based upon the comparison between 2000 and 2010 on 8 UZAs, their QOL have escalated during the transition from the sprawl areas into the compact ones, but the extent of improvement in QOL could differ greatly among areas. In regarding to our findings, compact development should be proposed as a general guideline leading the contemporary sprawl cities in transition with sustainable urbanism; however, to prevent the externalities from damaging QOL with over-compactness, the compact policy should be flexible to adjust a long-term roadmap for sustainable development.Keywords: compactness, quality of life, sprawl, sustainable urbanism
Procedia PDF Downloads 164