Search results for: density%20functional%20theory%20%28DFT%29

Authors: Yuchen Niu, Liang Zhao, Fangfang Xie, Weiyu Liu

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In the past decades, rapid urbanization in China has significantly promoted economic growth and caused a large number of environmental problems. In consideration of land resources shortage, high-density cities will become a common phenomenon in the future. How to improve the living environment under high density is a new challenge. Shenzhen is a typical high-density city, but also the forefront of China's development and reform area. This study selects 9 urban parks with different natural attributes in Shenzhen and explores the relationship of natural, economic, and social conditions within the service scope. Based on correlation analysis and system analysis, the results indicate that improvement of park design and management methods contribute to obtaining higher ecological value and promote economic and social development.

Keywords: correlation analysis, high-density city, park improvement, urban green spaces

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Authors: Vladyslav Povoroznyuk, Oksana Ivanyk, Nataliia Dzerovych

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In the diagnostics of osteoporosis, the gold standard is considered to be bone mineral density; however, X-ray densitometry is not an accurate indicator of osteoporotic fracture risk under all circumstances. In this regard, the search for new methods that could determine the indicators not only of the mineral density, but of the bone tissue quality, is a logical step for diagnostic optimization. One of these methods is the evaluation of trabecular bone quality. The aim of this study was to examine the quality and mineral density of spine bone tissue, femoral neck, and body composition of women depending on the duration of the postmenopausal period, to determine the correlation of body fat with indicators of bone mineral density and quality. The study examined 179 women in premenopausal and postmenopausal periods. The patients were divided into the following groups: Women in the premenopausal period and women in the postmenopausal period at various stages (early, middle, late postmenopause). A general examination and study of the above parameters were conducted with General Electric X-ray densitometer. The results show that bone quality and mineral density probably deteriorate with advancing of postmenopausal period. Total fat and lean mass ratio is not likely to change with age. In the middle and late postmenopausal periods, the bone tissue mineral density of the spine and femoral neck increases along with total fat mass.

Keywords: osteoporosis, bone tissue mineral density, bone quality, fat mass, lean mass, postmenopausal osteoporosis

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Authors: Weiwen Li, Hao Huang, Chengmao You, Jianji Liao, Lei Wang, Lina An

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Zooplankton are a central issue in the ecology which makes a great contribution to maintaining the balance of an ecosystem. It is critical in promoting the material cycle and energy flow within the ecosystems. A generalized additive model (GAM) was applied to analyze the relationships between the density (individuals per m³) of zooplankton and other variables in West Daya Bay. All data used in this analysis (the survey month, survey station (longitude and latitude), the depth of the water column, the superficial concentration of chlorophyll a, the benthonic concentration of chlorophyll a, the number of zooplankton species and the number of zooplankton species) were collected through monthly scientific surveys during January to December 2016. GLM model (generalized linear model) was used to choose the significant variables’ impact on the density of zooplankton, and the GAM was employed to analyze the relationship between the density of zooplankton and the significant variables. The results showed that the density of zooplankton increased with an increase of the benthonic concentration of chlorophyll a, but decreased with a decrease in the depth of the water column. Both high numbers of zooplankton species and the overall total number of zooplankton individuals led to a higher density of zooplankton.

Keywords: density, generalized linear model, generalized additive model, the West Daya Bay, zooplankton

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Authors: Collins Chike Kwasi-Effah, Timon Rabczuk, Osarobo O. Ighodaro

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The energy density of various battery technologies used in the electric vehicle industry still ranges between 250 Wh/kg to 650 Wh/kg, thus limiting their distance range compared to the conventional internal combustion engine vehicle. In order to overcome this limitation, a new material technology is necessary to overcome this limitation. The proposed sole lithium-air battery seems to be far behind in terms of practical implementation. In this paper, experimental analysis using COMSOL multiphysics has been conducted to predict the performance of lithium ion battery with variation in the elastic property of five different cathode materials including; LiMn2O4, LiFePO4, LiCoO2, LiV6O13, and LiTiS2. Combining LiCoO2, and aqueous lithium showed great improvement in the energy density. Thus, the material combination of LiCoO2/aqueous lithium-air could give a practical solution in achieving high energy density for application in the electric vehicle industry.

Keywords: battery energy, energy density, lithium-ion, mechanical property

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Authors: Bouzaki Mohammed Moustafa, Benyoucef Boumediene, Benouaz Tayeb, Benhamou Amina

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The ambient temperature and the defects density in the Hetero-junction with Intrinsic Thin layers solar cells (HIT) strongly influence their performances. In first part, we presented the bands diagram on the front/back simulated solar cell based on a-Si: H / c-Si (p)/a-Si:h. In another part, we modeled the following layers structure: ZnO/a-Si:H(n)/a-Si:H(i)/c-Si(p)/a-Si:H(p)/Ag where we studied the effect of the ambient temperature and the defects density in the gap of the crystalline silicon layer on the performance of the heterojunction solar cell with intrinsic layer (HIT).

Keywords: heterojunction solar cell, solar cell performance, bands diagram, ambient temperature, defect density

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Authors: M. Arifuzzaman, H. S. Kim

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Multiple sets of variables associated with expanded perlite particle consolidation in foam manufacturing were analyzed to develop a model for predicting perlite foam density. The consolidation of perlite particles based on the flotation method and compaction involves numerous variables leading to the final perlite foam density. The variables include binder content, compaction ratio, perlite particle size, various perlite particle densities and porosities, and various volumes of perlite at different stages of process. The developed model was found to be useful not only for prediction of foam density but also for optimization between compaction ratio and binder content to achieve a desired density. Experimental verification was conducted using a range of foam densities (0.15–0.5 g/cm3) produced with a range of compaction ratios (1.5-3.5), a range of sodium silicate contents (0.05–0.35 g/ml) in dilution, a range of expanded perlite particle sizes (1-4 mm), and various perlite densities (such as skeletal, material, bulk, and envelope densities). A close agreement between predictions and experimental results was found.

Keywords: expanded perlite, flotation method, foam density, model, prediction, sodium silicate

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Authors: Hoang Van Ngoc, Nguyen Thu Huong, Nguyen Quang Bau

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Using the quantum kinetic equation for electrons interacting with acoustic phonon, the density of the constant current associated with the drag of charge carriers in cylindrical quantum wire by a linearly polarized electromagnetic wave, a DC electric field and a laser radiation field is calculated. The density of the constant current is studied as a function of the frequency of electromagnetic wave, as well as the frequency of laser field and the basic elements of quantum wire with a parabolic potential. The analytic expression of the constant current density is numerically evaluated and plotted for a specific quantum wires GaAs/AlGaAs to show the dependence of the constant current density on above parameters. All these results of quantum wire compared with bulk semiconductors and superlattices to show the difference.

Keywords: The photon-drag effect, the constant current density, quantum wire, parabolic potential

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Authors: Drissi Mokhtaria, Chouaih Abdelkader, Fodil Hamzaoui

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Our work is about a comparison of experimental and theoretical results of the electron charge density distribution and the electrostatic potential around the M-Nitrophenol Molecule (m-NPH) kwon for its interesting physical characteristics. The molecular experimental results have been obtained from a high-resolution X-ray diffraction study. Theoretical investigations were performed under the Gaussian program using the Density Functional Theory at B3LYP level of theory at 6-31G*. The multipolar model of Hansen and Coppens was used for the experimental electron charge density distribution around the molecule, while we used the DFT methods for the theoretical calculations. The electron charge density obtained in both methods allowed us to find out the different molecular properties such us the electrostatic potential and the dipole moment which were finally subject to a comparison leading to an outcome of a good matching results obtained in both methods.

Keywords: electron charge density, m-nitrophenol, nonlinear optical compound, electrostatic potential, optimized geometric

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Authors: Ashish Pathak, Dong-Jin Kim, Byoung-Gon Kim

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Biological processes based on oxidation of sulfur compounds by chemolithotrophic microorganisms are emerging as an efficient and eco-friendly technique for removal of sulfur from the coal. In the present article, study was carried out to investigate the potential of biodesulfurization process in removing the sulfur from lignite coal sample collected from a Mongolian coal mine. The batch biodesulfurization experiments were conducted in 2.5 L borosilicate baffle type reactors at 35 ºC using Acidithiobacillus ferrooxidans. The effect of pulp density on efficiency of biodesulfurization was investigated at different solids concentration (1-10%) of coal. The results of the present study suggested that the rate of desulfurization was retarded at higher coal pulp density. The optimum pulp density found 5% at which about 48% of the total sulfur was removed from the coal.

Keywords: biodesulfurization, bioreactor, coal, pyrite

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Authors: C. Temaneh-Nyah, F. A. Phiri, D. Karegeya

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This paper presents an algorithm for obtaining the map of subscriber’s density distribution for a mobile wireless communication network based on the actual subscriber's traffic data obtained from the base station. This is useful in statistical characterization of the mobile wireless network.

Keywords: electromagnetic compatibility, statistical analysis, simulation of communication network, subscriber density

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Authors: Oluwatayo Abioye, Anthony Okoh

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In the past view decades; human has experienced outbreaks of infections caused by pathogenic Vibrio spp which are commonly found in aquatic milieu. Asides the well-known Vibrio cholerae, discovery of other pathogens in this genus has been on the increase. While the dynamics of occurrence and distribution of Vibrio spp have been linked to some physicochemical parameters in salt water, data in relation to fresh water is limited. Hence, two rivers of importance in the Eastern Cape, South Africa were selected for this study. In all, eleven sampling sites were systematically identified and relevant physicochemical parameters, as well as Vibrio spp density, were determined for the period of six months using standard instruments and methods. Results were statistically analysed to determined key physicochemical parameters that determine the density of Vibrio spp in the selected rivers. Results: The density of Vibrio spp in all the sampling points ranges between < 1 CFU/mL to 174 x 10-2 CFU/mL. The physicochemical parameters of some of the sampling points were above the recommended standards. The regression analysis showed that Vibrio density in the selected rivers depends on a complex relationship between various physicochemical parameters. Conclusion: This study suggests that Vibrio spp density in fresh water does not depend on only temperature and salinity as suggested by earlier studies on salt water but rather on a complex relationship between several physicochemical parameters.

Keywords: vibrio density, physicochemical properties, pathogen, aquatic milieu

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Authors: Hexiong Liu

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Powder metallurgy is the optimal method for the consolidation and preparation of W(Mo) alloys, which exhibit excellent application prospects at high temperatures. The properties of W(Mo) alloys are closely related to the sintered density. However, controlling the sintered density and porosity of these alloys is still challenging. In the past, the regulation methods mainly focused on time-consuming and costly trial-and-error experiments. In this study, the sintering data for more than a dozen W(Mo) alloys constituted a small-scale dataset, including both solid and liquid phases of sintering. Furthermore, simple descriptors were used to predict the sintered density of W(Mo) alloys based on the descriptor selection strategy and machine learning method (ML), where the ML algorithm included the least absolute shrinkage and selection operator (Lasso) regression, k-nearest neighbor (k-NN), random forest (RF), and multi-layer perceptron (MLP). The results showed that the interpretable descriptors extracted by our proposed selection strategy and the MLP neural network achieved a high prediction accuracy (R>0.950). By further predicting the sintered density of W(Mo) alloys using different sintering processes, the error between the predicted and experimental values was less than 0.063, confirming the application potential of the model.

Keywords: sintered density, machine learning, interpretable descriptors, W(Mo) alloy

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Authors: N. Lebga, Kh. Bouamama, K. Kassali

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We report first-principles calculation results on the structural and elastic properties of ZnS x Se1−x alloy for which we employed the virtual crystal approximation provided with the ABINIT program. The calculations done using density functional theory within the local density approximation and employing the virtual-crystal approximation, we made a comparative study between the numerical results obtained from ab-initio calculation using ABINIT or Wien2k within the Density Functional Theory framework with either Local Density Approximation or Generalized Gradient approximation and the pseudo-potential plane-wave method with the Hartwigzen Goedecker Hutter scheme potentials. It is found that the lattice parameter, the phase transition pressure, and the elastic constants (and their derivative with respect to the pressure) follow a quadratic law in x. The variation of the elastic constants is also numerically studied and the phase transformations are discussed in relation to the mechanical stability criteria.

Keywords: density functional theory, elastic properties, ZnS, ZnSe,

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Authors: I. Benkaddour, Y. Benkaddour, A. Benk Addour

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The structural, elastic, Thermal, electronic, and magnetic properties of intermetallic RMn₂Ge₂ (R= Ca, Y, Nd) are investigated by density functional theory (DFT), using the full potential –linearised augmented plane wave method (FP-LAPW). In this approach, the local-density approximation (LDA) is used for the exchange-correlation (XC) potential. The equilibrium lattice constant and magnetic moment agree well with the experiment. The density of states shows that these phases are conductors, with contribution predominantly from the R and Mn d states. We have determined the elastic constants C₁₁, C₁₂, C₁₃, C₄₄, C₃₃, andC₆₆ at ambient conditions in, which have not been established neither experimentally nor theoretically. Thermal properties, including the relative expansion coefficients and the heat capacity, have been estimated using a quasi-harmonic Debye model.

Keywords: RMn₂Ge₂, intermetallic, first-principles, density of states, mechanical properties

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Authors: Juang R. Matangaran, Erianto I. Putra, Iis Diatin, Muhammad Mujahid, Qi Adlan

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Industrial plantation forest is the producer of logs in Indonesia. Several companies of industrial plantation forest have been successfully planted with fast-growing species, and it entered their annual harvesting period. Heavy machines such as forwarders are used in timber harvesting to extract logs from stump to landing site. The negative impact of using such machines are loss of topsoil and soil compaction. Compacted soil is considered unfavorable for plant growth. The research objectives were to analyze the soil bulk density, rut, and cone index of the soil caused by a forwarder passes, to analyze the relation between several times of forwarder passes to the increase of soil bulk density. A Valmet forwarder was used in this research. Soil bulk density at soil surface and cone index from the soil surface to the 50 cm depth of soil were measured at the harvested area. The result showed that soil bulk density increase with the increase of the Valmet forwarder passes. Maximum soil bulk density occurred after 5 times forwarder Valmet passed. The cone index tended to increase from the surface until 50 cm depth of soil. Rut formed and high soil bulk density indicated the soil compaction occurred by the forwarder operation.

Keywords: bulk density, forwarder Valmet, plantation forest, soil compaction, timber harvesting

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Authors: Charmaine Lamiel, Van Hoa Nguyen, Jae-Jin Shim

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Supercapacitors are energy storage devices capable of storing more energy than conventional capacitors and have higher power density than batteries. The advantages of this method include the non-use of reducing agents and acidic medium, and no further use of a post-heat treatment unlike the conventional processes, in which calcination is generally employed after obtaining the initial product. Furthermore, it also offers a shorter reaction time at low temperatures and low power requirements, which allows low fabrication and energy cost. In this study, microwave irradiation was used for the facile and rapid synthesis of mesoporous RGO@(Co,Mn)3O4 nanosheets as an electrode material. The as-prepared electrode exhibited a high capacitance of 953 F•g^−1 at 1 A•g^−1 in a 6 M KOH electrolyte solution. Moreover, the electrode exhibited a high energy density of 76.2 Wh•kg^−1 at a power density of 720 W•kg^−1, and a high power density of 7200 W•kg^−1 at an energy density of 38 Wh•kg^−1. The successful methodology was considered to be efficient and cost-effective, thereby providing an active electrode material with very promising electrochemical performance.

Keywords: cobalt-manganese oxide, electrochemical, graphene, microwave synthesis, supercapacitor

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Authors: Bhaumik Patel, Amit Gotecha

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Commercial centres of different hierarchy and sizes play a vital role in the growth and development of the city. Economic uncertainty and demand for space leads to more urban sprawl and emerging more commercial spaces. The study was focused on the understanding of various indicators affecting the commercial development that can help to solve many issues related to commercial urban development and can guide for future employment growth centre development, Accessibility, Infrastructure, Planning and development regulations and Market forces. The aim of the study was to review characteristics and identifying employment density of Commercial Employment Sub-centres by achieving objectives Understanding various employment sub-centres, Identifying characteristics and deriving behaviour of employment densities and Evaluating and comparing employment sub-centres for the Ahmedabad city. Commercial employment sub-centres one in old city (Kalupur), second in highly developed commercial (C.G.road-Ashram road) and third in the latest developing commercial area (Prahladnagar) were identified by distance from city centre, Land use diversity, Access to Major roads and Public transport, Population density in proximity, Complimentary land uses in proximity and Land price. Commercial activities were categorised into retail, wholesale and service sector and sub categorised into various activities. From the study, Time period of establishment of the unit is a critical parameter for commercial activity, building height, and land-use diversity. Employment diversity is also one parameter for the commercial centre. The old city has retail, wholesale and trading and higher commercial density concerning units and employment both. Prahladnagar area functioned as commercial due to market pressure and developed as more units rather than a requirement. Employment density is higher in the centre of the city, as far as distance increases from city centre employment density and unit density decreases. Characters of influencing employment density and unit density are distance from city centre, development type, establishment time period, building density, unit density, public transport accessibility and road connectivity.

Keywords: commercial employment sub-centres, employment density, employment diversity, unit density

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Authors: Wen Liu

Abstract:

With the rapid progress of modern cities, the railway construction must be developing quickly in China. As a typical high-density country, shopping center on the subway should be one important factor during the process of urban development. The paper discusses the influence of the layout of shopping center on the subway, and put it in the time and space’s axis of Shanghai urban development. We use the digital technology to establish the database of relevant information. And then get the change role about shopping center on subway in Shanghaiby the Kernel density estimate. The result shows the development of shopping center on subway has a relationship with local economic strength, population size, policy support, and city construction. And the suburbanization trend of shopping center would be increasingly significant. By this case research, we could see the Kernel density estimate is an efficient analysis method on the spatial layout. It could reveal the characters of layout form of shopping center on subway in essence. And it can also be applied to the other research of space form.

Keywords: Shanghai, shopping center on the subway, layout form, Kernel density estimate

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Authors: Jianjia Wang, Tong Yu, Haoran Zhu, Kun Liu, Jinwei Hao

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The underlying pattern in the modern city is agglomeration. To some degree, the distribution of urban spatial density can be used to describe the status of this assemblage. There are three intrinsic characteristics to measure urban spatial density, namely, Floor Area Ratio (FAR), Building Coverage Ratio (BCR), and Average Storeys (AS). But the underlying mechanism that contributes to these quantities is still vague in the statistical urban study. In this paper, we explore the corresponding extrinsic factors related to spatial density. These factors can further provide the potential influence on the intrinsic quantities. Here, we take Shanghai Inner Ring Area and Manhattan in New York as examples to analyse the potential impacts on urban spatial density with six selected extrinsic elements. Ebery single factor presents the correlation to the spatial distribution, but the overall global impact of all is still implicit. To handle this issue, we attempt to develop the Boltzmann statistical model to explicitly explain the mechanism behind that. We derive a corresponding novel quantity, called capacity, to measure the global effects of all other extrinsic factors to the three intrinsic characteristics. The distribution of capacity presents a similar pattern to real measurements. This reveals the nonlinear influence on the multi-factor relations to the urban spatial density in agglomeration.

Keywords: urban spatial density, Boltzmann statistics, multi-factor correlation, spatial distribution

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Authors: Ojiegbe Ikenna Nathan

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Obesity is a medical condition in which excess body fat has accumulated to the extent that it leads to reduced life expectancy and or increased health problems. Obesity as a worldwide problem is seen clustered in the families and it moves from generation to generation. It causes some disabilities, mortality and morbidity if left unattended to. The predisposing factors to obesity are either genetic or environment in origin. Nevertheless, the main predisposing factor to obesity is the excessive consumption of food rich in low-density lipoprotein (LDL) such as organ meats, saturated fats etc. This low-density lipoprotein causes an increase in adipose tissue and complicates to obesity. There are varieties of obesity which one needs to take appropriate measures to avoid; such as android, gynoid and morbid obesity. Nonetheless, studies have shown that there is hope for the obese individuals, despite the cause, type and degree of their obesity. This is through the use of the different available treatment measures which increase in physical activities, caloric restrictions, drug therapy and surgical intervention.

Keywords: low-density, lipoprotein, culprit, obesity

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Authors: A. Elsariti, T. Evans

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An understanding of the interaction between acoustic waves and cancellous bone is needed in order to realize the full clinical potential of ultrasonic bone measurements. Scattering is likely to be of central importance but has received little attention to date. Few theoretical approaches have been described to explain scattering of ultrasound from bone. In this study, a scattering model based on velocity and density fluctuations in a binary mixture (marrow fat and cortical matrix) was used to estimate the ultrasonic attenuation in cancellous bone as a function of volume fraction. Predicted attenuation and backscatter coefficient were obtained for a range of porosities and scatterer size. At 600 kHZ and for different scatterer size the effect of velocity and density fluctuations in the predicted attenuation was approximately 60% higher than velocity fluctuations.

Keywords: ultrasound scattering, sound speed, density fluctuations, attenuation coefficient

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Authors: A. Amar

Abstract:

A new model, namely the crystal model, has been modified to calculate the radius and density distribution of light nuclei up to ⁸Be. The crystal model has been modified according to solid-state physics, which uses the analogy between nucleon distribution and atoms distribution in the crystal. The model has analytical analysis to calculate the radius where the density distribution of light nuclei has obtained from analogy of crystal lattice. The distribution of nucleons over crystal has been discussed in a general form. The equation that has been used to calculate binding energy was taken from the solid-state model of repulsive and attractive force. The numbers of the protons were taken to control repulsive force, where the atomic number was responsible for the attractive force. The parameter has been calculated from the crystal model was found to be proportional to the radius of the nucleus. The density distribution of light nuclei was taken as a summation of two clusters distribution as in ⁶Li=alpha+deuteron configuration. A test has been done on the data obtained for radius and density distribution using double folding for d+⁶,⁷Li with M3Y nucleon-nucleon interaction. Good agreement has been obtained for both the radius and density distribution of light nuclei. The model failed to calculate the radius of ⁹Be, so modifications should be done to overcome discrepancy.

Keywords: nuclear physics, nuclear lattice, study nucleus as crystal, light nuclei till to ⁸Be

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Authors: Mohammed H. Rady, Mohd Sukri Mustapa, S Shamsudin, M. A. Lajis, A. Wagiman

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The present study is aimed at investigating microhardness and density of aluminium alloy chips when subjected to various settings of preheating temperature and preheating time. Three values of preheating temperature were taken as 450 °C, 500 °C, and 550 °C. On the other hand, three values of preheating time were chosen (1, 2, 3) hours. The influences of the process parameters (preheating temperature and time) were analyzed using Design of Experiments (DOE) approach whereby full factorial design with center point analysis was adopted. The total runs were 11 and they comprise of two factors of full factorial design with 3 center points. The responses were microhardness and density. The results showed that the density and microhardness increased with decreasing the preheating temperature. The results also found that the preheating temperature is more important to be controlled rather than the preheating time in microhardness analysis while both the preheating temperature and preheating time are important in density analysis. It can be concluded that setting temperature at 450 °C for 1 hour resulted in the optimum responses.

Keywords: AA6061, density, DOE, hot extrusion, microhardness

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Authors: Arnaldo G. de Oliveira, Jr, Matthieu Tubino

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The transesterification process of triglycerides with alcohols that occurs during the biodiesel synthesis causes continuous changes in several physical properties of the reaction mixture, such as refractive index, viscosity and density. Amongst them, density can be an useful parameter to monitor the reaction, in order to predict the composition of the reacting mixture and to verify the conversion of the oil into biodiesel. In this context, a system was constructed in order to continuously determine changes in the density of the reacting mixture containing soybean oil, methanol and sodium methoxide (30 % w/w solution in methanol), stirred at 620 rpm at room temperature (about 27 °C). A polyethylene pipe network connected to a peristaltic pump was used in order to collect the mixture and pump it through a coil fixed on the plate of an analytical balance. The collected mass values were used to trace a curve correlating the mass of the system to the reaction time. The density variation profile versus the time clearly shows three different steps: 1) the dispersion of methanol in oil causes a decrease in the system mass due to the lower alcohol density followed by stabilization; 2) the addition of the catalyst (sodium methoxide) causes a larger decrease in mass compared to the first step (dispersion of methanol in oil) because of the oil conversion into biodiesel; 3) the final stabilization, denoting the end of the reaction. This density variation profile provides information that was used to predict the composition of the mixture over the time and the reaction rate. The precise knowledge of the duration of the synthesis means saving time and resources on a scale production system. This kind of monitoring provides several interesting features such as continuous measurements without collecting aliquots.

Keywords: biodiesel, density measurements, online continuous monitoring, synthesis

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Authors: Mahdieh Khanmohammadi, Sune Darkner, Nicoletta Nava, Jens Randel Nyengaard, Jon Sporring

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We study the effect of stress on nervous system and we use two experimental groups of rats: sham rats and rats subjected to acute foot-shock stress. We investigate the synaptic vesicles density as a function of distance to the active zone in serial section transmission electron microscope images in 2 and 3 dimensions. By estimating the density in 2D and 3D we compare two groups of rats.

Keywords: stress, 3-dimensional synaptic vesicle density, image registration, bioinformatics

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Authors: Aastha Paliwal, H. N. Chanakya, S. Dasappa

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Lignocellulose, as an alternate feedstock for biogas production, has been an active area of research. However, lignocellulose poses a lot of operational difficulties- widespread variation in the structural organization of lignocellulosic matrix, amenability to degradation, low bulk density, to name a few. Amongst these, the low bulk density of the lignocellulosic feedstock is crucial to the process operation and optimization. Low bulk densities render the feedstock floating in conventional liquid/wet digesters. Low bulk densities also restrict the maximum achievable organic loading rate in the reactor, decreasing the power density of the reactor. However, during digestion, lignocellulose undergoes very high compaction (up to 26 times feeding density). This first reduces the achievable OLR (because of low feeding density) and compaction during digestion, then renders the reactor space underutilized and also imposes significant mass transfer limitations. The objective of this paper was to understand the effects of compacting lignocellulose on mass transfer and the influence of loss of different components on the bulk density and hence structural integrity of the digesting lignocellulosic feedstock. 10 different lignocellulosic feedstocks (monocots and dicots) were digested anaerobically in a fed-batch, leach bed reactor -solid-state stratified bed reactor (SSBR). Percolation rates of the recycled bio-digester liquid (BDL) were also measured during the reactor run period to understand the implication of compaction on mass transfer. After 95 ds, in a destructive sampling, lignocellulosic feedstocks digested at different SRT were investigated to quantitate the weekly changes in bulk density and lignocellulosic composition. Further, percolation rate data was also compared to bulk density data. Results from the study indicate loss of hemicellulose (r²=0.76), hot water extractives (r²=0.68), and oxalate extractives (r²=0.64) had dominant influence on changing the structural integrity of the studied lignocellulose during anaerobic digestion. Further, feeding bulk density of the lignocellulose can be maintained between 300-400kg/m³ to achieve higher OLR, and bulk density of 440-500kg/m³ incurs significant mass transfer limitation for high compacting beds of dicots.

Keywords: anaerobic digestion, bulk density, feed compaction, lignocellulose, lignocellulosic matrix, cellulose, hemicellulose, lignin, extractives, mass transfer

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Authors: Zainab D. Abd Ali, Thamir H. Khalaf

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In this paper, the characteristics of electric discharge in gap between two (parallel-plate) dielectric plates are studies, the gap filled with Argon gas in atm pressure at ambient temperature, the thickness of gap typically less than 1 mm and dielectric may be up 10 cm in diameter. One of dielectric plates a sinusoidal voltage is applied with Rf frequency, the other plates is electrically grounded. The simulation in this work depending on Boltzmann equation solver in first few moments, fluid model and plasma chemistry, in one dimensional modeling. This modeling have insight into characteristics of Dielectric Barrier Discharge through studying properties of breakdown of gas, electric field, electric potential, and calculating electron density, mean electron energy, electron current density ,ion current density, total plasma current density. The investigation also include: 1. The influence of change in thickness of gap between two plates if we doubled or reduced gap to half. 2. The effect of thickness of dielectric plates. 3. The influence of change in type and properties of dielectric material (gass, silicon, Teflon).

Keywords: computational diagnostics, Boltzmann equation, electric discharge, electron density

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Authors: Serge B. Provost, Yishan Zhang

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A moment-based adjustment to the saddlepoint approximation is introduced in the context of density estimation. First applied to univariate distributions, this methodology is extended to the bivariate case. It then entails estimating the density function associated with each marginal distribution by means of the saddlepoint approximation and applying a bivariate adjustment to the product of the resulting density estimates. The connection to the distribution of empirical copulas will be pointed out. As well, a novel approach is proposed for estimating the support of distribution. As these results solely rely on sample moments and empirical cumulant-generating functions, they are particularly well suited for modeling massive data sets. Several illustrative applications will be presented.

Keywords: empirical cumulant-generating function, endpoints identification, saddlepoint approximation, sample moments, density estimation

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Authors: N. Boukabcha, Y. Megrouss, N. Benhalima, S. Yahiaoui, A. Chouaih, F. Hamzaoui

Abstract:

We present the electron density analysis of organic compound 4-methyl-N-[(5- nitrothiophen-2-ylmethylidene)] aniline with chemical formula C12H10N2O2S. Indeed, determining the electrostatic properties of nonlinear optical organic compounds requires knowledge of the distribution of the electron density with high precision. On the other hand, a structural analysis is performed. Two methods are used to obtain the structure, X-ray diffraction and theoretical calculation with density functional theory (DFT). The electron density study is performed using the Mopro program1503 based on the multipolar model of Hansen and Coppens. Electron density analysis allows determination of the value and orientation of the dipole moment. The net atomic charges, electrostatic potential and the molecular dipole moment have been determined in order to understand the nature of inter- and intramolecular charge transfer. The study reveals the nature of intermolecular interactions including charge transfer and hydrogen bonds in the title compound. Crystallographic data: monoclinic system - space group P21 / n. Celle parameters: a = 4.7606 (4) Å, b = 22.415 (2) Å, c = 10.7008 (15) Å, β = 92.566 (13) 0, V = 1140.7 (2) Å3, Z = 4, R = 0.0034 for 2693 observed reflections.

Keywords: electron density, dipole moment, electrostatic potential, DFT, Mopro

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Authors: Mustafa Abdul Rahman, Maisarah Abdullah, Nurfarahin Azizan, Mohd-Azlan Jayasilan, Andrew Alek Tuen

Abstract:

Common myna (Acridotheres tristis) and Javan myna (A. javanicus) belong to the family Sturnidae. These two species range from Iran, Afghanistan, and east through the Indian subcontinent to south China, Indochina and the mainland Southeast Asia. It was introduced to Sarawak in 1980’s and since then the population has increased tremendously. A study to determine the density of these two species was conducted in the Kuching and Samarahan Districts, Sarawak, Malaysian Borneo between November 2013 and January 2014. In Kuching City a total of 12 transect lines of 500 m each were established totaling 6 km. In Samarahan District, six 500 m transect lines were established both within Universiti Malaysia Sarawak (UNIMAS) campus and in Serian Town totaling 6 km. The results showed that the density of Javan myna in Kuching City (east) was 13.9 birds/ha, Kuching City (center) was 21.3 birds/ha and Kuching City (west) was 43.1 birds/ha. The density of common myna at UNIMAS campus was 20.3 birds/ha and Serian Town was 13.2 birds/ha. The density of human population probably plays an important role in determining the density of mynas in an area as it is associated with the availability of food sources, roosting and nesting places originating from human activity.

Keywords: density, myna, transect, invasive, Sarawak, Borneo

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