Search results for: density functional theoretical

Authors: Alan Luo, Hunter N. B. Moseley

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Many macromolecular structure entries in the Protein Data Bank (PDB) have a range of regional (localized) quality issues, be it derived from x-ray crystallography, Nuclear Magnetic Resonance (NMR) spectroscopy, or other experimental approaches. However, most PDB entries are judged by global quality metrics like R-factor, R-free, and resolution for x-ray crystallography or backbone phi-psi distribution statistics and average restraint violations for NMR. Regional quality is often ignored when PDB entries are re-used for a variety of structurally based analyses. The binding of ligands, especially ligands involved in energy metabolism, is of particular interest in many structurally focused protein studies. Using a regional quality metric that provides chemically interpretable information from electron density maps, a significant number of outliers in regional structural quality was detected across x-ray crystallographic PDB entries for proteins bound to biochemically critical ligands. In this study, a series of analyses was performed to evaluate both specific and general potential factors that could promote these outliers. In particular, these potential factors were the minimum distance to a metal ion, the minimum distance to a crystal contact, and the isotropic atomic b-factor. To evaluate these potential factors, Fisher’s exact tests were performed, using regional quality criteria of outlier (top 1%, 2.5%, 5%, or 10%) versus non-outlier compared to a potential factor metric above versus below a certain outlier cutoff. The results revealed a consistent general effect from region-specific normalized b-factors but no specific effect from metal ion contact distances and only a very weak effect from crystal contact distance as compared to the b-factor results. These findings indicate that no single specific potential factor explains a majority of the outlier ligand-bound regions, implying that human error is likely as important as these other factors. Thus, all factors, including human error, should be considered when regions of low structural quality are detected. Also, the downstream re-use of protein structures for studying ligand-bound conformations should screen the regional quality of the binding sites. Doing so prevents misinterpretation due to the presence of structural uncertainty or flaws in regions of interest.

Keywords: biomacromolecular structure, coenzyme, electron density discrepancy analysis, x-ray crystallography

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Authors: Elkington Sibusiso Mnguni

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In South Africa, mining has been a key economic sector since the discovery of gold in 1886 in the Witwatersrand region, where the city of Johannesburg is located. However, some mines have since been decommissioned, and the continuous pumping of acid mine drainage (AMD) also stopped causing the AMD to rise towards the ground surface. This posed a serious environmental risk to the groundwater resources and river systems in the region. This paper documents the development and extent of the environmental damage as well as the measures implemented by the government to alleviate such damage. The study will add to the body of knowledge on the subject of AMD treatment to prevent environmental degradation. The method used to gather and collate relevant data and information was the desktop study. The key findings include the social and environmental impact of the AMD, which include the pollution of water sources for domestic use leading to skin and other health problems and the loss of biodiversity in some areas. It was also found that the technical intervention of constructing a plant to pump and treat the AMD using the high-density sludge technology was the most effective short-term solution available while a long-term solution was being explored. Some successes and challenges experienced during the implementation of the project are also highlighted. The study will be a useful record of the current status of the AMD treatment interventions in the region.

Keywords: acid mine drainage, groundwater resources, pollution, river systems, technical intervention, high density sludge

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Authors: Ramazan Livaoğlu, Tufan Çakır

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The performance of rectangular tanks during earthquakes has been observed to depend significantly on the existence of water in the container and the presence of the backfill acting on tank wall. Therefore, in design of rectangular tanks, the topics of fluid-structure-backfill interactions and determination of modal characteristics of the interaction system have traditionally been one of the great theoretical and practical controversy. Although finite element method has been and will continue to be used to a significant extent in treating the response of the system, experimental verification of numerical models remains prerequisite for their adoption and reliable application in practice. Thus, in this study, the numerical and experimental investigations were performed on the backfill-exterior wall-fluid interaction system. Firstly, three dimensional finite element model (3D-FEM) was developed to acquire modal frequencies and mode shapes of the system by means of ANSYS. Secondly, a series of in-situ tests were fulfilled to define modal characteristics of same system to determine the applicability of the FEM to a real physical situation under field conditions. Finally, comparing the theoretical predictions from the model to results from experimental measurement, a close agreement was found between theory and experiment. Thus, it can be easily stated that experimental verification provides strong support for the use of proposed model in further investigations.

Keywords: fluid-structure interaction, modal analysis, rectangular tank, soil structure interaction

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Authors: Bita Mohajernia, R. J. Urbanic

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Mold making techniques have focused on meeting the customers’ functional and process requirements; however, today, molds are increasing in size and sophistication, and are difficult to manufacture, transport, and set up due to their size and mass. Presently, mold weight saving techniques focus on pockets to reduce the mass of the mold, but the overall size is still large, which introduces costs related to the stock material purchase, processing time for process planning, machining and validation, and excess waste materials. Reducing the overall size of the mold is desirable for many reasons, but the functional requirements, tool life, and durability cannot be compromised in the process. It is proposed to use Finite Element Analysis simulation tools to model the forces, and pressures to determine where the material can be removed. The potential results of this project will reduce manufacturing costs. In this study, a light weight structure is defined by an optimal distribution of material to carry external loads. The optimization objective of this research is to determine methods to provide the optimum layout for the mold structure. The topology optimization method is utilized to improve structural stiffness while decreasing the weight using the OptiStruct software. The optimized CAD model is compared with the primary geometry of the mold from the NX software. Results of optimization show an 8% weight reduction while the actual performance of the optimized structure, validated by physical testing, is similar to the original structure.

Keywords: finite element analysis, plastic injection molding, topology optimization, weight reduction

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Authors: F. Moghtaderi, M. Burke, J. Troelsen

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There has been a significant decline in active travel as well as the massive increase use of car-dependent travel mode in many countries during past two decades. Evidential risks for people’s physical and mental health problems are followed by this increased use of motorized travel mode. These problems range from overweight and obesity to increasing air pollution. In response to these rising concerns, local councils and other interested organizations around the world have introduced a variety of initiatives regarding reduce the dominance of cars for the daily journeys. However, the nature of these kinds of interventions, which related to the human behavior, make lots of complexities. People’s travel behavior and changing this behavior, has two different aspects. People’s attitudes and perceptions toward the sustainable and healthy modes of travel, and motorized travel modes (especially private car use) is one these two aspects. The other one related to people’s behavior change processes. There are no comprehensive model in order to guide policy interventions to increase the level of succeed of such interventions. A comprehensive theoretical framework is required in accordance to facilitate and guide the processes of data collection and analysis to achieve the best possible guidelines for policy makers. Regarding this gaps in the travel behavior change research, this paper attempted to identify and suggest a multidimensional framework in order to facilitate planning interventions. A structured mixed-method is suggested regarding the expand the scope and improve the analytic power of the result according to the complexity of human behavior. In order to recognize people’s attitudes, a theory with the focus on people’s attitudes towards a particular travel behavior was needed. The literature around the theory of planned behavior (TPB) was the most useful, and had been proven to be a good predictor of behavior change. Another aspect of the research, related to the people’s decision-making process regarding explore guidelines for the further interventions. Therefore, a theory was needed to facilitate and direct the interventions’ design. The concept of the transtheoretical model of behavior change (TTM) was used regarding reach a set of useful guidelines for the further interventions with the aim to increase active travel and sustainable modes of travel. Consequently, a combination of these two theories (TTM and TPB) had presented as an appropriate concept to identify and design implemented travel behavior change interventions.

Keywords: behavior change theories, theoretical framework, travel behavior change interventions, urban research

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Authors: John Mambambo

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Debates on the link between Bantu languages are often epitomized by animated theoretical critiques, including the language zoning and groupings. This evaluative, qualitative inquiry hovers above theoretical critiques to offer the sparsely studied ChiShona and isiXhosa code-switching nexus, a yawning gap in scholarship. Using interviews, questionnaires and observations, data germane to the study were collected from a purposively selected group of Shona speakers who had resided in Xhosa-speaking communities for not less than a year. Deploying Myers-Scotton’s Markedness theory, the paper gazes into the pragmatic linguistic affinity that is affirmed through the Shona-Xhosa code-switching in Cape Town. The assorted social variables motivating bilingual speakers to code-switch in Cape Town are also explored in this study. The study unveils that Shona speakers are motivated to code-switch by the linguistic affinity between ChiShona and isiXhosa. Other socio-political justifications also give an impetus to this phenomenon. The Matrix Language Frame Model affirms that ChiShona is the base while isiXhosa is the embedded language during code-switching. This paper is a momentous advancement of the extant literature on code-switching. It is a unique contribution to the nexus between ChiShona and isiXhosa languages, providing fresh insights into the discourse on African language comparison studies.

Keywords: code-switching, chishona, isiXhosa, bilingualism

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Authors: Tapas Acharya, Monalisa Mitra

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Overlay modeling is the most widely used conventional analysis for spatial decision support system. Overlay modeling requires a set of themes with different weightage computed in varied manners, which gives a resultant input for further integrated analysis. In spite of the popularity and most widely used technique; it gives inconsistent and erroneous results for similar inputs while processed in various GIS overlay techniques. This study is an attempt to compare and analyse the differences in the outputs of different overlay methods using GIS platform with same set of themes of the Precambrian metamorphic to obtain groundwater prospecting in Precambrian metamorphic rocks. The objective of the study is to emphasize the most suitable overlay method for groundwater prospecting in older Precambrian metamorphics. Seven input thematic layers like slope, Digital Elevation Model (DEM), soil thickness, lineament intersection density, average groundwater table fluctuation, stream density and lithology have been used in the spatial overlay models of fuzzy overlay, weighted overlay and weighted sum overlay methods to yield the suitable groundwater prospective zones. Spatial concurrence analysis with high yielding wells of the study area and the statistical comparative studies among the outputs of various overlay models using RStudio reveal that the Weighted Overlay model is the most efficient GIS overlay model to delineate the groundwater prospecting zones in the Precambrian metamorphic rocks.

Keywords: fuzzy overlay, GIS overlay model, groundwater prospecting, Precambrian metamorphics, weighted overlay, weighted sum overlay

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Authors: Christos Karolemeas, Avgi Vassi, Georgia Christodoulopoulou

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Although the past decades, planning a cycle network became an inseparable part of all transportation plans, there is still a lot of room for improvement in the way planning is made, in order to create safe and direct cycling networks that gather the parameters that positively influence one's decision to cycle. The aim of this article is to study, evaluate and visualize the bikeability of cities. This term is often used as the 'the ability of a person to bike' but this study, however, adopts the term in the sense of bikeability as 'the ability of the urban landscape to be biked'. The methodology used included assessing cities' accessibility by cycling, based on international literature and corresponding walkability methods and the creation of a 'bikeability index'. Initially, a literature review was made to identify the factors that positively affect the use of bicycle infrastructure. Those factors were used in order to create the spatial index and quantitatively compare the city network. Finally, the bikeability index was applied in two case studies: two Greek municipalities that, although, they have similarities in terms of land uses, population density and traffic congestion, they are totally different in terms of geomorphology. The factors suggested by international literature were (a) safety, (b) directness, (c) comfort and (d) the quality of the urban environment. Those factors were quantified through the following parameters: slope, junction density, traffic density, traffic speed, natural environment, built environment, activities coverage, centrality and accessibility to public transport stations. Each road section was graded for the above-mentioned parameters, and the overall grade shows the level of bicycle accessibility (low, medium, high). Each parameter, as well as the overall accessibility levels, were analyzed and visualized through Geographic Information Systems. This paper presents the bikeability index, its' results, the problems that have arisen and the conclusions from its' implementation through Strengths-Weaknesses-Opportunities-Threats analysis. The purpose of this index is to make it easy for researchers, practitioners, politicians, and stakeholders to quantify, visualize and understand which parts of the urban fabric are suitable for cycling.

Keywords: accessibility, cycling, green spaces, spatial data, urban environment

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Authors: Hakim Bachiri, Mohammed Znari, Moulay Abdeljalil Ait Baamranne

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Population characteristics of Atlas Barbary sheep (Ammotragus lervia lervia) were investigated 20 years following the 1999 introduction of 10 individuals into the fenced nature reserve of Amassine, High Atlas range, Morocco, for promoting wildlife watching and tourism. Population age-sex structure and density were determined in late winter-early spring during four consecutive years (2016-2019) by direct observation before the dispersal of the herd. In this latter case, the line transect distance sampling was successfully applied. Population size increased from 37 to 62 animals during the four-year study period; the maximal population size being 82 individuals recorded in 2006. An estimated population density ranged from 0.25 to 0.41 Barbary sheep/ha during the study period. The adult sex ratio varied from 91 to 67 per 100 females. The apparent birth rate was 14 to 73/100 females. Juveniles and subadults comprised 27-43% of the population, adult males 26-31% and adult females 29-45%. The survival rate from birth to 1 year of age approximated 35%, for adult males was estimated to average 69%/year. The obtained results would be helpful for developing sustainable population management and habitat restoration plan and assessing the feasibility of potential reintroduction/restocking in other areas of the Atlas range.

Keywords: atlas mountains, barbary sheep, demography, management

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Authors: Samuel Matylewicz, K. W. Goossen

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The deployment of white or cool (high albedo) roofing is a common energy savings recommendation for a variety of buildings all over the world. Here, the effect of a white roof on the energy savings of an ice rink facility in the northeastern US is determined by measuring the effect of solar irradiance on the consumption of the rink's ice refrigeration system. The consumption of the refrigeration system was logged over a year, along with multiple weather vectors, and a statistical model was applied. The experimental model indicates that the expected savings of replacing the existing grey roof with a white roof on the consumption of the refrigeration system is only 4.7 %. This overall result of the statistical model is confirmed with isolated instances of otherwise similar weather days, but cloudy vs. sunny, where there was no measurable difference in refrigeration consumption up to the noise in the local data, which was a few percent. This compares with a simple theoretical calculation that indicates 30% savings. The difference is attributed to a lack of convective cooling of the roof in the theoretical model. The best experimental model shows a relative effect of the weather vectors dry bulb temperature, solar irradiance, wind speed, and relative humidity on refrigeration consumption of 1, 0.026, 0.163, and -0.056, respectively. This result can have an impact on decisions to apply white roofing to refrigerated buildings in general.

Keywords: cool roofs, solar cooling load, refrigerated buildings, energy-efficient building envelopes

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Authors: Jonathan Galvan-Colin, Ariel Valladares, Renela Valladares, Alexander Valladares

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Both porous materials and bulk metallic glasses have been studied due to their potential applications and their exceptional physical and chemical properties. However, each material presents certain drawbacks which have been thought to be overcome by generating bulk metallic glass foams (BMGF). Although some experimental reports have been performed on multicomponent BMGF, still no ab initio works have been published, as far as we know. We present an approach based on the expanding lattice (EL) method to generate binary amorphous nanoporous Cu64Zr36. Starting from two different configurations: a 108-atom crystalline cubic supercell (cCu64Zr36) and a 108-atom amorphous supercell (aCu64Zr36), both with an initial density of 8.06 g/cm3, we applied EL method to halve the density and to get 50% of porosity. After the lattice expansion the supercells were subject to ab initio molecular dynamics for 500 steps at constant room temperature. Then, the samples were geometry-optimized and characterized with the pair and radial distribution functions, bond-angle distributions and a coordination number analysis. We found that pores appeared along specific spatial directions different from one to another and that they differed in size and form as well, which we think is related to the initial structure. Due to the lack of experimental counterparts our results should be considered predictive and further studies are needed in order to handle a larger number of atoms and its implication on pore topology.

Keywords: ab initio molecular dynamics, bulk mettalic glass, porous alloy

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Authors: Rajendra N. Ghosh, Paramjeet Singh, Niranjan Khandelwal, Sameer Vyas, Pratibha Singhi, Naveen Sankhyan

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Background: Tuberculoma and neurocysticercosis (NCC) are two most common intracranial infections in developing country. They often simulate on neuroimaging and in absence of typical imaging features cause significant diagnostic dilemmas. Differentiation is extremely important to avoid empirical exposure to antitubercular medications or nonspecific treatment causing disease progression. Purpose: Better characterization and differentiation of CNS tuberculoma and NCC by using morphological and multiple advanced functional MRI. Material and Methods: Total fifty untreated patients (20 tuberculoma and 30 NCC) were evaluated by using conventional and advanced sequences like CISS, SWI, DWI, DTI, Magnetization transfer (MT), T2Relaxometry (T2R), Perfusion and Spectroscopy. rCBV,ADC,FA,T2R,MTR values and metabolite ratios were calculated from lesion and normal parenchyma. Diagnosis was confirmed by typical biochemical, histopathological and imaging features. Results: CISS was most useful sequence for scolex detection (90% on CISS vs 73% on routine sequences). SWI showed higher scolex detection ability. Mean values of ADC, FA,T2R from core and rCBV from wall of lesion were significantly different in tuberculoma and NCC (P < 0.05). Mean values of rCBV, ADC, T2R and FA for tuberculoma and NCC were (3.36 vs1.3), (1.09x10⁻³vs 1.4x10⁻³), (0.13 x10⁻³ vs 0.09 x10⁻³) and (88.65 ms vs 272.3 ms) respectively. Tuberculomas showed high lipid peak, more choline and lower creatinine with Ch/Cr ratio > 1. T2R value was most significant parameter for differentiation. Cut off values for each significant parameters have proposed. Conclusion: Quantitative MRI in combination with conventional sequences can better characterize and differentiate similar appearing tuberculoma and NCC and may be incorporated in routine protocol which may avoid brain biopsy and empirical therapy.

Keywords: advanced functional MRI, differentiation, neurcysticercosis, tuberculoma

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Authors: Moksha Singh

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The proponents of deinstitutionalization, including Goffman and others, in their works, have regarded institutions (orphanages to be specific) as regulated social arrangements that negatively impinge upon a resident’s development. They, therefore, propose alternative forms of care. However, even after five decades of this critique institutionalization remains the only hope for children with social, physical and mental disabilities in larger parts of the developing world such as the conflict affected state of Jammu and Kashmir in India. This paper is based on the experiences of children who lost their parents to insurgency and counter-insurgency operations and the rehabilitation process. This study is qualitative in nature and adopts descriptive-cum-exploratory research design. Using theoretical sampling, six orphanages and thirty one child residents who lost their parent(s) in the course of the armed conflict in the state of Jammu and Kashmir in India were studied in the year 2009-2010. It included interviews, observation, life histories and introspective accounts of the orphans and the management. The results were drawn through the qualitative examination, understanding, and interpretation of the primary and secondary data. The findings suggested that rehabilitation of these conflict-affected children is taking place mainly through residential child care facilities run by non-governmental bodies. Alternative forms of rehabilitation are not functional in the state because of various geopolitical and socio-cultural complexities. Even after five years of arriving at these conclusions and more, the state of Jammu and Kashmir still lacks a comprehensive rehabilitation plan for these children. This has further encouraged a mushroomed growth of legal and illegal institutions. Some of these institutions compromise the standard norms of functioning and yet remain the only hope for thousands rendered orphan. These institutions, therefore, are there to stay as other alternative forms of care are not available in the state. A comprehensive intervention policy is needed based on the cultural specifics of the state and incorporation of views of institutions offering aid, the state and the children. The paper introduces Small Group Residential Care Model through which it is expected that the restoration process can be made smooth and effective.

Keywords: armed conflict, children's rights, institutionalization, orphanages, rehabilitation

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Authors: Hui-Min Lai, Chin-Pin Chen, Yung-Fu Chang

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The expectation-confirmation model (ECM) is one of the most widely used models for evaluating information system continuance, and this model has been extended to other study backgrounds, or expanded with other theoretical perspectives. However, combining ECM with other theories or investigating the background problem may produce some disparities, thus generating inaccurate conclusions. Habit is considered to be an important factor that influences the user’s continuance behavior. This paper thus critically examines seven pairs of relationships from the original ECM and the habit variable. A meta-analysis was used to tackle the development of ECM research over the last 10 years from a range of journals and conference papers published in 2005–2014. Forty-six journal articles and 19 conference papers were selected for analysis. The results confirm our prediction that a high effect size for the seven pairs of relationships was obtained (ranging from r=0.386 to r=0.588). Furthermore, a meta-analytic structural equation modeling was performed to simultaneously test all relationships. The results show that habit had a significant positive effect on continuance intention at p<=0.05 and that the six other pairs of relationships were significant at p<0.10. Based on the findings, we refined our original research model and an alternative model was proposed for understanding and predicting information system continuance. Some theoretical implications are also discussed.

Keywords: Expectation-confirmation theory, Expectation-confirmation model, Meta-analysis, meta-analytic structural equation modeling.

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Authors: Shan Faiz, Arfat Anis, Saeed M. Al-Zarani

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High density polyethylene (HDPE) and poly benzimidazole fiber (PBI) composites were prepared by melt blending in a twin screw extruder (TSE). The thermo-mechanical properties of PBI fiber reinforced HDPE composite samples (1%, 4% and 8% fiber content) of fiber lengths 3 mm and 6 mm were investigated using differential scanning calorimeter (DSC), universal testing machine (UTM), rheometer and scanning electron microscopy (SEM). The effect of fiber content and fiber lengths on the thermo-mechanical properties of the HDPE-PBI composites was studied. The DSC analysis showed decrease in crystallinity of HDPE-PBI composites with the increase of fiber loading. Maximum decrease observed was 12% at 8% fiber length. The thermal stability was found to increase with the addition of fiber. T50% was notably increased to 40oC for both grades of HDPE using 8% of fiber content. The mechanical properties were not much affected by the increase in fiber content. The optimum value of tensile strength was achieved using 4% fiber content and slight increase of 9% in tensile strength was observed. No noticeable change was observed in flexural strength. In rheology study, the complex viscosities of HDPE-PBI composites were higher than the HDPE matrix and substantially increased with even minimum increase of PBI fiber loading i.e. 1%. We found that the addition of the PBI fiber resulted in a modest improvement in the thermal stability and mechanical properties of the prepared composites.

Keywords: PBI fiber, high density polyethylene, composites, melt blending

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Authors: John Hardy

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The early twenty-first century national security environment has been characterized by political coercion. Despite an abundance of political commentary on the various forms of non-state coercion leveraged against the state, there is a lack of literature which distinguishes between the mechanisms and the mediums of coercion. Frequently non-state movements seeking to coerce the state are labelled by their tactics, not their strategies. Terrorists, insurgencies and social movements are largely defined by the ways in which they seek to influence the state, rather than by their political aims. This study examines the strategies of coercion used by non-state actors against states. This approach includes terrorist groups, insurgencies, and social movements who seek to coerce state politics. Not all non-state actors seek political coercion, so not all examples of different group types are considered. This approach also excludes political coercion by states, focusing on the non-state actor as the primary unit of analysis. The study applies a general theory of political coercion, which is defined as attempts to change the policies or action of a polity against its will, to the strategies employed by terrorist groups, insurgencies, and social movements. This distinguishes non-state actors’ strategic objectives from their actions and motives, which are variables that are often used to differentiate between types of non-state actors and the labels commonly used to describe them. It also allows for a comparative analysis of theoretical perspectives from the disciplines of terrorism, insurgency and counterinsurgency, and social movements. The study finds that there is a significant degree of overlap in the way that different disciplines conceptualize the mechanism of political coercion by non-state actors. Studies of terrorism and counterterrorism focus more on the notions of cost tolerance and collective punishment, while studies of insurgency focus on a contest of legitimacy between actors, and social movement theory tend to link political objectives, social capital, and a mechanism of influence to leverage against the state. Each discipline has a particular vernacular for the mechanism of coercion, which is often linked to the means of coercion, but they converge on three core theoretical components of compelling a polity to change its policies or actions: exceeding resistance to change, using political or violent punishments, and withholding legitimacy or consent from a government.

Keywords: counter terrorism, homeland security, insurgency, political coercion, social movement theory, terrorism

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Authors: Victor Alves Barros Galvão, Israel Da Silveira Rego, Antonio Carlos Oliveira, Paulo Gilberto De Paula Toro

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The Brazilian hypersonic aerospace vehicle 14-X B, VHA 14-X B, is a vehicle integrated with the hypersonic airbreathing propulsion system based on supersonic combustion (scramjet), developing in Aerothermodynamics and hypersonic Prof. Henry T. Nagamatsu Laboratory, to conduct demonstration in atmospheric flight at the speed corresponding to Mach number 7 at an altitude of 30km. In the experimental procedure the hypersonic shock tunnel T3 was used, installed in that laboratory. This device simulates the flow over a model is fixed in the test section and can also simulate different atmospheric conditions. The scramjet technology offers substantial advantages to improve aerospace vehicle performance which flies at a hypersonic speed through the Earth's atmosphere by reducing fuel consumption on board. Basically, the scramjet is an aspirated aircraft engine fully integrated that uses oblique/conic shock waves generated during hypersonic flight, to promote the deceleration and compression of atmospheric air in scramjet inlet. During the hypersonic flight, the vehicle VHA 14-X will suffer atmospheric influences, promoting changes in the vehicle's angles of attack (angle that the mean line of vehicle makes with respect to the direction of the flow). Based on this information, a study is conducted to analyze the influences of changes in the vehicle's angle of attack during the atmospheric flight. Analytical theoretical analysis, simulation computational fluid dynamics and experimental investigation are the methodologies used to design a technological demonstrator prior to the flight in the atmosphere. This paper considers analysis of the thermodynamic properties (pressure, temperature, density, sound velocity) in lower surface of the VHA 14-X B. Also, it considers air as an ideal gas and chemical equilibrium, with and without boundary layer, considering changes in the vehicle's angle of attack (positive and negative in relation to the flow) and bi-dimensional expansion wave theory at the expansion section (Theory of Prandtl-Meyer).

Keywords: angle of attack, experimental hypersonic, hypersonic airbreathing propulsion, Scramjet

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Authors: M. Goliszek, M. Sobiesiak, O. Sevastyanova, B. Podkoscielna

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Lignin is one of three main constituents of biomass together with cellulose and hemicellulose. It is a complex biopolymer, which contains a large number of functional groups, including aliphatic and aromatic hydroxyl groups, carbohylic groups and methoxy groups in its structure, that is why it shows potential capacities for process of sorption. Lignin is a highly cross-linked polymer with a three-dimentional structure which can provide large surface area and pore volumes. It can also posses better dispersion, diffusion and mass transfer behavior in a field of the removal of, e.g., heavy-metal-ions or aromatic pollutions. In this work emulsion-suspension copolymerization method, to synthesize the porous microspheres of divinylbenzene (DVB), styrene (St) and lignin was used. There are also microspheres without the addition of lignin for comparison. Before the copolymerization, modification lignin with methacryloyl chloride, to improve its reactivity with other monomers was done. The physico-chemical properties of the obtained microspheres, e.g., pore structures (adsorption-desorption measurements), thermal properties (DSC), tendencies to swell and the actual shapes were also studied. Due to well-developed porous structure and the presence of functional groups our materials may have great potential in sorption processes. To estimate the sorption capabilities of the microspheres towards phenol and its chlorinated derivatives the off-line SPE (solid-phase extraction) method is going to be applied. This method has various advantages, including low-cost, easy to use and enables the rapid measurements for a large number of chemicals. The efficiency of the materials in removing phenols from aqueous solution and in desorption processes will be evaluated.

Keywords: microspheres, lignin, sorption, solid-phase extraction

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Authors: Iyad Al-Attar

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Air filters installed in HVAC equipment and gas turbine for power generation confront several atmospheric contaminants with various concentrations while operating in different environments (tropical, coastal, hot). This leads to engine performance degradation, as contaminants are capable of deteriorating components and fouling compressor assembly. Compressor fouling is responsible for 70 to 85% of gas turbine performance degradation leading to reduction in power output and availability and an increase in the heat rate and fuel consumption. Therefore, filter design must take into account face velocities, pleat count and its corresponding surface area; to verify filter performance characteristics (Efficiency and Pressure Drop). The experimental work undertaken in the current study examined two groups of four filters with different pleating densities were investigated for the initial pressure drop response and fractional efficiencies. The pleating densities used for this study is 28, 30, 32 and 34 pleats per 100mm for each pleated panel and measured for ten different flow rates ranging from 500 to 5000 m3/h with increment of 500m3/h. This experimental work of the current work has highlighted the underlying reasons behind the reduction in filter permeability due to the increase in face velocity and pleat density. The reasons that led to surface area losses of filtration media are due to one or combination of the following effects: pleat-crowding, deflection of the entire pleated panel, pleat distortion at the corner of the pleat and/or filtration medium compression. It is evident from entire array of experiments that as the particle size increases, the efficiency decreases until the MPPS is reached. Beyond the MPPS, the efficiency increases with increase in particle size. The MPPS shifts to a smaller particle size as the face velocity increases, while the pleating density and orientation did not have a pronounced effect on the MPPS. Throughout the study, an optimal pleat count which satisfies initial pressure drop and efficiency requirements may not have necessarily existed. The work has also suggested that a valid comparison of the pleat densities should be based on the effective surface area that participates in the filtration action and not the total surface area the pleat density provides.

Keywords: air filters, fractional efficiency, gas cleaning, glass fibre, HEPA filter, permeability, pressure drop

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Authors: Shadrack Mambo, Karim Djouani, Yskandar Hamam, Barend van Wyk, Patrick Siarry

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This paper discusses the current trends in medical image registration techniques and addresses the need to provide a solid theoretical foundation for research endeavours. Methodological analysis and synthesis of quality literature was done, providing a platform for developing a good foundation for research study in this field which is crucial in understanding the existing levels of knowledge. Research on medical image registration techniques assists clinical and medical practitioners in diagnosis of tumours and lesion in anatomical organs, thereby enhancing fast and accurate curative treatment of patients. Literature review aims to provide a solid theoretical foundation for research endeavours in image registration techniques. Developing a solid foundation for a research study is possible through a methodological analysis and synthesis of existing contributions. Out of these considerations, the aim of this paper is to enhance the scientific community’s understanding of the current status of research in medical image registration techniques and also communicate to them, the contribution of this research in the field of image processing. The gaps identified in current techniques can be closed by use of artificial neural networks that form learning systems designed to minimise error function. The paper also suggests several areas of future research in the image registration.

Keywords: image registration techniques, medical images, neural networks, optimisaztion, transformation

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Authors: Takoua Soltani, Imen Soltani, Taoufik Aguili

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The communications' and radar systems' demands give rise to new developments in the domain of active integrated antennas (AIA) and arrays. The main advantages of AIA arrays are the simplicity of fabrication, low cost of manufacturing, and the combination between free space power and the scanner without a phase shifter. The integrated active antenna modeling is the coupling between the electromagnetic model and the transport model that will be affected in the high frequencies. Global modeling of active circuits is important for simulating EM coupling, interaction between active devices and the EM waves, and the effects of EM radiation on active and passive components. The current review focuses on the modeling of the active element which is a MESFET transistor immersed in a rectangular waveguide. The proposed EM analysis is based on the Method of Moments combined with the Generalised Equivalent Circuit method (MOM-GEC). The Method of Moments which is the most common and powerful software as numerical techniques have been used in resolving the electromagnetic problems. In the class of numerical techniques, MOM is the dominant technique in solving of Maxwell and Transport’s integral equations for an active integrated antenna. In this situation, the equivalent circuit is introduced to the development of an integral method formulation based on the transposition of field problems in a Generalised equivalent circuit that is simpler to treat. The method of Generalised Equivalent Circuit (MGEC) was suggested in order to represent integral equations circuits that describe the unknown electromagnetic boundary conditions. The equivalent circuit presents a true electric image of the studied structures for describing the discontinuity and its environment. The aim of our developed method is to investigate the antenna parameters such as the input impedance and the current density distribution and the electric field distribution. In this work, we propose a global EM modeling of the MESFET AsGa transistor using an integral method. We will begin by describing the modeling structure that allows defining an equivalent EM scheme translating the electromagnetic equations considered. Secondly, the projection of these equations on common-type test functions leads to a linear matrix equation where the unknown variable represents the amplitudes of the current density. Solving this equation resulted in providing the input impedance, the distribution of the current density and the electric field distribution. From electromagnetic calculations, we were able to present the convergence of input impedance for different test function number as a function of the guide mode numbers. This paper presents a pilot study to find the answer to map out the variation of the existing current evaluated by the MOM-GEC. The essential improvement of our method is reducing computing time and memory requirements in order to provide a sufficient global model of the MESFET transistor.

Keywords: active integrated antenna, current density, input impedance, MESFET transistor, MOM-GEC method

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Authors: Juliet Udoudom

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Complement ordering principles of natural language phrases (XPs) stipulate that Head terms be consistently placed phrase initially or phrase-finally, yielding two basic theoretical orders – Head – Complement order or Complement – Head order. This paper examines the principles which determine complement ordering in English V- and N-bar structures. The aim is to determine the extent to which complement linearisations in the two phrase types are consistent with the two theoretical orders outlined above given the flexible and varied nature of natural language structures. The objective is to see whether there are variation(s) in the complement linearisations of the XPs studied and the implications which such variations hold for the inter-language syntax of English and Ibibio. A corpus-based approach was employed in obtaining the English data. V- and -N – bar structures containing complement structures were isolated for analysis. Data were examined from the perspective of the X-bar and Government – theories of Chomsky’s (1981) Government-Binding format. Findings from the analysis show that in V – bar structures in English, heads are consistently placed phrase – initially yielding a Head – Complement order; however, complement linearisation in the N – bar structures studied exhibited parametric variations. Thus, in some N – bar structures in English the nominal head is ordered to the left whereas in others, the head term occurs to the right. It may therefore be concluded that the principles which determine complement ordering are both Language – Particular and Phrase – specific following insights provided within Phrasal Syntax.

Keywords: complement order, complement–head order, head–complement order, language–particular principles

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Authors: A. J. Julius, E. Imoagene, O. A. Ganiyu

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The purpose of this study is to estimate the economic value of the services and functions rendered by the forest landscape using a conditional logit model. For this study, attributes and levels of forest landscape were chosen; specifically, attributes include topographical forest type, forest type, forest density, recreational factor (side trip, accessibility of valley), and willingness to participate (WTP). Based on these factors, 48 choices sets with balanced and orthogonal form using statistical analysis system (SAS) 9.1 was adopted. The efficiency of the questionnaire was 6.02 (D-Error. 0.1), and choice set and socio-economic variables were analyzed. To reduce the cognitive load of respondents, the 48 choice sets were divided into 4 types in the questionnaire, so that respondents could respond to 12 choice sets, respectively. The study populations were citizens from seven metropolitan cities including Ibadan, Ilorin, Osogbo, etc. and annual WTP per household was asked by using the interview questionnaire, a total of 267 copies were recovered. As a result, Oshogbo had 0.45, and the statistical similarities could not be found except for urban forests, forest density, recreational factor, and level of WTP. Average annual WTP per household for forest landscape was 104,758 Naira (Nigerian currency) based on the outcome from this model, total economic value of the services and functions enjoyed from Nigerian forest landscape has reached approximately 1.6 trillion Naira.

Keywords: economic valuation, urban cities, services, forest landscape, logit model, nigeria

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Authors: Minjung Maing, Sibei Liu

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This research discusses the results of a study of window opening behavior of large housing developments in the high-density megacity of Hong Kong. The methods used for the study involved field observations using photo documentation of the four cardinal elevations (north, south-east, and west) of two large housing developments in a very dense urban area of approx. 46,000 persons per square meter within the city of Hong Kong. The targeted housing developments (A and B) are large public housing with a population of about 13,000 in each development of lower income. However, the mean income level in development A is about 40% higher than development B and home ownership is 60% in development A and 0% in development B. Mapping of the surrounding amenities and layout of the developments were also studied to understand the available activities to the residents. The photo documentation of the elevations was taken from November 2016 to February 2018 to gather a full spectrum of different seasons and both in the morning and afternoon (am/pm) times. From the photograph, the window opening behavior was measured by counting the amount of windows opened as a percentage of all the windows on that façade. For each date of survey data collected, weather data was recorded from weather stations located in the same region to collect temperature, humidity and wind speed. To further understand the behavior, simulation studies of microclimate conditions of the housing development was conducted using the software ENVI-met, a widely used simulation tool by researchers studying urban climate. Four major conclusions can be drawn from the data analysis and simulation results. Firstly, there is little change in the amount of window opening during the different seasons within a temperature range of 10 to 35 degrees Celsius. This means that people who tend to open their windows have consistent window opening behavior throughout the year and high tolerance of indoor thermal conditions. Secondly, for all four elevations the lower-income development B opened more windows (almost two times more units) than higher-income development A meaning window opening behavior had strong correlations with income level. Thirdly, there is a lack of correlation between outdoor horizontal wind speed and window opening behavior, as the changes of wind speed do not seem to affect the action of opening windows in most conditions. Similar to the low correlation between horizontal wind speed and window opening percentage, it is found that vertical wind speed also cannot explain the window opening behavior of occupants. Fourthly, there is a slightly higher average of window opening on the south elevation than the north elevation, which may be due to the south elevation being well shaded from high angle sun during the summer and allowing heat into units from lower angle sun during the winter season. These findings are important to providing insight into how to better design urban environments and indoor thermal environments for a liveable high density city.

Keywords: high-density housing, subtropical climate, urban behavior, window opening

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Authors: Priyanka Gupta, Bipin Kumar

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Recent developments in smart materials motivate researchers to create novel textile products for innovative and functional applications, which have several potential uses beyond the conventional. This study investigates the memory behavior of shape memory filaments integrated into a knitted textile structure. The research advances the knowledge of how these intelligent materials respond within textile structures. This integration may also open new avenues for developing smart fabrics with unique sensing and actuation capabilities. A shape memory filament and polyester yarn were knitted to produce a shape memory knitted fabric (SMF). Thermo-mechanical tensile test was carried out to quantify the memory behavior of SMF under different conditions. The experimental findings demonstrate excellent shape recovery (100%) and shape fixity up to 88% at different strains (20% and 60%) and temperatures (30 ℃ and 50 ℃). Experimental results reveal that memory filament behaves differently in a fabric structure than in its pristine condition at various temperatures and strains. The cycle test of SMF under different thermo-mechanical conditions indicated complete shape recovery with an increase in shape fixity. So, the utterly recoverable textile structure was achieved after a few initial cycles. These intelligent textiles are beneficial for the development of novel, innovative, and functional fabrics like elegant curtains, pressure garments, compression stockings, etc. In addition to fashion and medical uses, this unique feature may also be leveraged to build textile-based sensors and actuators.

Keywords: knitting, memory filament, shape memory, smart textiles, thermo-mechanical cycle

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Authors: Calvin Ralph, Edward Archer, Alistair McIlhagger

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3D woven textile composites continue to emerge as an advanced material for structural applications and composite manufacture due to their bespoke nature, through thickness reinforcement and near net shape capabilities. When 3D woven preforms are produced, they are in their optimal physical state. As 3D weaving is a dry preforming technology it relies on compression of the preform to achieve the desired composite thickness, fibre volume fraction (Vf) and consolidation. This compression of the preform during manufacture results in changes to its thickness and architecture which can often lead to under-performance or changes of the 3D woven composite. Unlike traditional 2D fabrics, the bespoke nature and variability of 3D woven architectures makes it difficult to know exactly how each 3D preform will behave during processing. Therefore, the focus of this study is to investigate the effect of compression on differing 3D woven architectures in terms of structure, crimp or fibre waviness and thickness as well as analysing the accuracy of available software to predict how 3D woven preforms behave under compression. To achieve this, 3D preforms are modelled and compression simulated in Wisetex with varying architectures of binder style, pick density, thickness and tow size. These architectures have then been woven with samples dry compression tested to determine the compressibility of the preforms under various pressures. Additional preform samples were manufactured using Resin Transfer Moulding (RTM) with varying compressive force. Composite samples were cross sectioned, polished and analysed using microscopy to investigate changes in architecture and crimp. Data from dry fabric compression and composite samples were then compared alongside the Wisetex models to determine accuracy of the prediction and identify architecture parameters that can affect the preform compressibility and stability. Results indicate that binder style/pick density, tow size and thickness have a significant effect on compressibility of 3D woven preforms with lower pick density allowing for greater compression and distortion of the architecture. It was further highlighted that binder style combined with pressure had a significant effect on changes to preform architecture where orthogonal binders experienced highest level of deformation, but highest overall stability, with compression while layer to layer indicated a reduction in fibre crimp of the binder. In general, simulations showed a relative comparison to experimental results; however, deviation is evident due to assumptions present within the modelled results.

Keywords: 3D woven composites, compression, preforms, textile composites

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Authors: Helnaz Soltani, J. N. Reddy

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Presence of fluid medium interacting with a structure can lead to failure of the structure. Since developing efficient computational model for fluid-structure interaction (FSI) problems has broader impact to realistic problems encountered in aerospace industry, ship industry, oil and gas industry, and so on, one can find an increasing need to find a method in order to investigate the effect of fluid domain on structural response. A coupled finite element formulation of problems involving FSI issue is an accurate method to predict the response of structures in contact with a fluid medium. This study proposes a finite element approach in order to study the transient response of the structures interacting with a fluid medium. Since beam and plate are considered to be the fundamental elements of almost any structure, the developed method is applied to beams and plates benchmark problems in order to demonstrate its efficiency. The formulation is a combination of the various structure theories and the solid-fluid interface boundary condition, which is used to represent the interaction between the solid and fluid regimes. Here, three different beam theories as well as three different plate theories are considered to model the solid medium, and the Navier-Stokes equation is used as the theoretical equation governed the fluid domain. For each theory, a coupled set of equations is derived where the element matrices of both regimes are calculated by Gaussian quadrature integration. The main feature of the proposed methodology is to model the fluid domain as an added mass; the external distributed force due to the presence of the fluid. We validate the accuracy of such formulation by means of some numerical examples. Since the formulation presented in this study covers several theories in literature, the applicability of our proposed approach is independent of any structure geometry. The effect of varying parameters such as structure thickness ratio, fluid density and immersion depth, are studied using numerical simulations. The results indicate that maximum vertical deflection of the structure is affected considerably in the presence of a fluid medium.

Keywords: beam and plate, finite element analysis, fluid-structure interaction, transient response

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Authors: Malcolm Dinovitzer, Calvin Miller, Adam Hacker, Gabriel Wong, Zach Annen, Padmassun Rajakareyar, Jordan Mulvihill, Mostafa S.A. ElSayed

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The research work presented in this paper is developed by the Blended Wing Body (BWB) Unmanned Aerial Vehicle (UAV) team, a fourth-year capstone project at Carleton University Department of Mechanical and Aerospace Engineering. Here, a clean sheet UAV with BWB configuration is designed and optimized using Multiscale Design Optimization (MSDO) approach employing lattice materials taking into consideration design for additive manufacturing constraints. The BWB-UAV is being developed with a mission profile designed for surveillance purposes with a minimum payload of 1000 grams. To demonstrate the design methodology, a single design loop of a sample rib from the airframe is shown in details. This includes presentation of the conceptual design, materials selection, experimental characterization and residual thermal stress distribution analysis of additively manufactured materials, manufacturing constraint identification, critical loads computations, stress analysis and design optimization. A dynamic turbulent critical load case was identified composed of a 1-g static maneuver with an incremental Power Spectral Density (PSD) gust which was used as a deterministic design load case for the design optimization. 2D flat plate Doublet Lattice Method (DLM) was used to simulate aerodynamics in the aeroelastic analysis. The aerodynamic results were verified versus a 3D CFD analysis applying Spalart-Allmaras and SST k-omega turbulence to the rigid UAV and vortex lattice method applied in the OpenVSP environment. Design optimization of a single rib was conducted using topology optimization as well as MSDO. Compared to a solid rib, weight savings of 36.44% and 59.65% were obtained for the topology optimization and the MSDO, respectively. These results suggest that MSDO is an acceptable alternative to topology optimization in weight critical applications while preserving the functional requirements.

Keywords: blended wing body, multiscale design optimization, additive manufacturing, unmanned aerial vehicle

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Authors: Cristina Costa-Lobo, Carla B. Vestena, Filomena E. Ponte

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Creativity and intelligence are concepts that have aroused very expressive interest in the field of educational sciences and the field of psychological science since the middle of the last century since they have a great impact on the potential and well-being of individuals. However, due to progress in cognitive and positive psychology, there has been a growing interest in the psychoeducational domain of intelligence and creativity in the last decade. In this theoretical work, are analyzed comparatively the theoretical models that relate the intelligence and the creativity, are analyzed several psychoeducational intervention programs that have been implemented with a view to the promotion of creativity and signal possibilities, realities and ironies around the psychological evaluation of intelligence and creativity. In order to reach a broad perspective on creativity, the evidence is presented that points the need to evaluate different psychological domains. The psychoeducational intervention programs addressed have, with a common characteristic, the full stimulation of the creative potential of the participants, assumed as a highly valued capacity at the present time. The results point to the systematize that all interventions in the ambit of creativity have two guiding principles: all individuals can be creative, and creativity is a capacity that can be stimulated. This work refers to the importance of stimulus creativity in educational contexts, to the usefulness and pertinence of the creation, the implementation, and monitoring of flexible curricula, adapted to the educational needs of students, promoting a collaborative work among teachers, parents, students, psychologists, managers and educational administrators.

Keywords: creativity, intelligence, psychoeducational intervention programs, psychological evaluation, educational contexts

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Authors: Andrej Kocjan

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Introduction: Mobility has been shown to play an important role of health and quality of life among older adults. Falls, which are often related to decreased mobility, as well as to neuromuscular deficits, represent the most common injury among older adults. Fall risk has been shown to increase with reduced lower extremity flexibility. The aim of the paper is to assess the importance of flexibility training on joint range of motion and functional performance among elderly population. Methods: We performed literature research on PubMed and evaluated articles published until 2000. The articles found in the search strategy were also added. The population of interest included older adults (≥ 65 years of age). Results: Flexibility training programs still represent an important part of several rehabilitation programs. Static stretching and proprioceptive neuromuscular facilitation are the most frequently used techniques to improve the length of the muscle-tendon complex. Although the effectiveness of type of stretching seems to be related to age and gender, static stretching is a more appropriate technique to enhance shoulder, hip, and ankle range of motion in older adults. Stretching should be performed in multiple sets with holds of more than 60 seconds for a single muscle group. Conclusion: The literature suggests that flexibility training is an effective method to increase joint range of motion in older adults. In the light of increased functional outcome, activities such as strengthening, balance, and aerobic exercises should be incorporated into a training program for older people. Due to relatively little published literature, it is still not possible to prescribe detailed recommendations regarding flexibility training for older adults.

Keywords: elderly, exercise, flexibility, falls

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