Search results for: time-dependent density functional theory

Authors: Hu Changjuan, Gong Cong, Long Hao

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Although urban ecological policies and the public's aspiration for livable environments have expedited the pace of ecological revitalization, historic districts that have evolved through natural ecological processes often become obsolete and less habitable amid rapid urbanization. This raises a critical question about historic districts inherently incapable of being ecological and livable. The thriving concept of ‘intrinsic ecology,’ characterized by its ability to transform city-district systems into healthy ecosystems with diverse environments, stable functions, and rapid restoration capabilities, holds potential for guiding the integration of ancient and modern ecological wisdom while supporting the dynamic involvement of cultures. This study explores the intrinsic ecology of historic districts from three aspects: 1) Population Density: By comparing the population density before urban population expansion to the present day, determine the reasonable population density for historic districts. 2) Building Density: Using the ‘Space-mate’ tool for comparative analysis, form a spatial matrix to explore the intrinsic ecology of building density in Chinese historic districts. 3) Green Capacity Ratio: By using ecological districts as control samples, conduct dual comparative analyses (related comparison and upgraded comparison) to determine the intrinsic ecological advantages of the two-dimensional and three-dimensional green volume in historic districts. The study inform a density optimization strategy that supports cultural, social, natural, and economic ecology, contributing to the creation of eco-historic districts.

Keywords: eco-historic districts, intrinsic ecology, suitable density, green capacity ratio.

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Authors: Mariam Musaddiq, Muhammad Ali Asadullah

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Psychological safety is referred as a 'nonthreatening' and 'predictable' work environment leading employees, particularly interested to contribute positively to the organization, to engage and express their true selves at work without suffering negative results. We posit that the employee who is feeling psychologically safe experiences positive emotions, feels happy and shows helping behavior towards his coworkers and supervisors. Particularly, the supervisor reciprocates this helping behavior in form of greater satisfaction to the employee showing helping behavior. We tested our hypothesis in light of Feedback system theory and functional motive theory. We collected data from 453 employees and their supervisor in Pakistani hotels and restaurants through survey method. Result showed that positive affect and helping behavior mediate the relationship between psychological safety and supervisor satisfaction. Cross sectional design of the study is a major limitation of the study. Moreover, we focused on psychological safety only that is one of three dimensions of psychological conditions.

Keywords: affect, helping behavior, psychological safety, supervisor, supervisor satisfaction

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Authors: Tiee-Jian Wu, Chih-Yuan Hsu

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Mode estimation is an important task, because it has applications to data from a wide variety of sources. We propose a semi-parametric approach to estimate the mode of an unknown continuous multivariate density function. Our approach is based on a weighted average of a parametric density estimate using the Box-Cox transform and a non-parametric kernel density estimate. Our semi-parametric mode estimate improves both the parametric- and non-parametric- mode estimates. Specifically, our mode estimate solves the non-consistency problem of parametric mode estimates (at large sample sizes) and reduces the variability of non-parametric mode estimates (at small sample sizes). The performance of our method at practical sample sizes is demonstrated by simulation examples and two real examples from the fields of climatology and image recognition.

Keywords: Box-Cox transform, density estimation, mode seeking, semiparametric method

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Authors: Bing-Bing E. Goh

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Plant counting is a labour intensive and time-consuming task for the farmers. However, it is an important indicator for farmers to make decisions on subsequent field management. This study is to evaluate the potential of Sentinel-2 images using statistical analysis to retrieve information on plant density for monitoring, especially during critical period at the beginning of March. The model was calibrated with in-situ data from 19 winter wheat fields in Republic of Ireland during the crop growing season in 2019-2020. The model for plant density resulted in R2 = 0.77, RMSECV = 103 and NRMSE = 14%. This study has shown the potential of using Sentinel-2 to estimate plant density and quantify plant establishment to effectively monitor crop progress and to ensure proper field management.

Keywords: winter wheat, remote sensing, crop monitoring, multivariate analysis

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Authors: W. Q. Wang, Y. Yin, D. B. Zou, T. P. Yu, J. M. Ouyang, F. Q. Shao

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High-energy-density state, i.e., matter and radiation at energy densities in excess of 10^11 J/m^3, is related to material, nuclear physics, astrophysics, and geophysics. Laser-driven particle beams are better suited to heat the matter as a trigger due to their unique properties of ultrashort duration and low emittance. Compared to X-ray and electron sources, it is easier to generate uniformly heated large-volume material for the proton and ion beams because of highly localized energy deposition. With the construction of state-of-art high power laser facilities, creating of extremely conditions of high-temperature and high-density in laboratories becomes possible. It has been demonstrated that on a picosecond time scale the solid density material can be isochorically heated to over 20 eV by the ultrafast proton beam generated from spherically shaped targets. For the above-mentioned technique, the proton energy density plays a crucial role in the formation of warm dense matter states. Recently, several methods have devoted to realize the focusing of the accelerated protons, involving externally exerted static-fields or specially designed targets interacting with a single or multi-pile laser pulses. In previous works, two co-propagating or opposite direction laser pulses are employed to strike a submicron plasma-shell. However, ultra-high pulse intensities, accurately temporal synchronization and undesirable transverse instabilities for a long time are still intractable for currently experimental implementations. A mechanism of the focusing of laser-driven proton beams from two-ion-species arched targets is investigated by multi-dimensional particle-in-cell simulations. When an intense linearly-polarized laser pulse impinges on the thin arched target, all electrons are completely evacuated, leading to a Coulomb-explosive electric-field mostly originated from the heavier carbon ions. The lighter protons in the moving reference frame by the ionic sound speed will be accelerated and effectively focused because of this radially isotropic field. At a 2.42×10^21 W/cm^2 laser intensity, a ballistic proton bunch with its energy-density as high as 2.15×10^17 J/m^3 is produced, and the highest proton energy and the focusing position agree well with that from the theory.

Keywords: Coulomb explosion, focusing, high-energy-density, ion acceleration

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Authors: Eslam Dabbish, Fortuna Ponte, Stefano Scoditti, Emilia Sicilia, Gloria Mazzone

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The medical techniques based on the use of light for activating the drug are occupying a prominent place in the cancer treatment due to their selectivity that contributes to reduce undesirable side effects of conventional chemotherapy. Among these therapeutic treatments, photodynamic therapy (PDT) and photoactivated chemotherapy (PACT) are emerging as complementary approaches for selective destruction of neoplastic tissue through direct cellular damage. Both techniques rely on the employment of a molecule, photosensitizer (PS), able to absorb within the so-called therapeutic window. Thus, the exposure to light of otherwise inert molecules promotes the population of excited states of the drug, that in PDT are able to produce the cytotoxic species, such as 1O2 and other ROS, in PACT can be responsible of the active species release or formation. Following the success of cisplatin in conventional treatments, many other transition metal complexes were explored as anticancer agents for applications in different medical approaches, including PDT and PACT, in order to improve their chemical, biological and photophysical properties. In this field, several crucial characteristics of candidate PSs can be accurately predicted from first principle calculations, especially in the framework of density functional theory and its time-dependent formulation, contributing to the understanding of the entire photochemical pathways involved which can ultimately help in improving the efficiency of a drug. A brief overview of the outcomes on some platinum and ruthenium-based PSs proposed for the application in the two phototherapies will be provided.

Keywords: TDDFT, metal complexes, PACT, PDT

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Authors: Ehsan Vaziri Goodarzi, Mahmood Houshmand, Omid Fatahi Valilai, Vahidreza Ghezavati, Shahrooz Bamdad

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One important paradigm of industry 4.0 is Cloud Manufacturing (CM). In CM everything is considered as a service, therefore, the CM platform should consider all service provider's capabilities and tries to integrate services in an equilibrium state. This research develops a framework for implementing manufacturing cloud service composition in the equilibrium state. The developed framework using well-known tools called axiomatic design (AD) and game theory. The research has investigated the factors for forming equilibrium for measures of the manufacturing cloud service composition. Functional requirements (FRs) represent the measures of manufacturing cloud service composition in the equilibrium state. These FRs satisfied by related Design Parameters (DPs). The FRs and DPs are defined by considering the game theory, QoS, consumer needs, parallel and cooperative services. Ultimately, four FRs and DPs represent the framework. To insure the validity of the framework, the authors have used the first AD’s independent axiom.

Keywords: axiomatic design, manufacturing cloud service composition, cloud manufacturing, industry 4.0

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Authors: Neda Razavi Kaleibar, Bahloul Salmani

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The present study dealt with the multimodal analysis of two cinematic adaptations of The Great Gatsby as intersemiotic translation. The assessment in this study went beyond the faithfulness based on repetition, addition, deletion, and creation which limit the analysis from other aspects. In fact, this research aimed to pinpoint the role of multimodality in examining the intersemiotic translations of the novel into film by means of analyzing different applied modes. Through a qualitative type of research, the analysis was conducted based on the theory proposed by Burn as Kineikonic mode theory derived from the concept of multimodality. The results of the study revealed that due to the applied modes, each adaptation represents a sense and meaning different from the other one. Analyzing the results and discussions, it was concluded that not only the modes have an undeniable role in film adaptations, but rather multimodal analysis including different nonverbal modes can be a useful and functional choice for analyzing the intersemiotic translations.

Keywords: cinematic adaptation, intersemiotic translation, kineikonic mode, multimodality

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Authors: Mahmoud Reza Hosseini

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The universe is in a continuous expansion process, resulting in the reduction of its density and temperature. Also, by extrapolating back from its current state, the universe at its early times has been studied known as the big bang theory. According to this theory, moments after creation, the universe was an extremely hot and dense environment. However, its rapid expansion due to nuclear fusion led to a reduction in its temperature and density. This is evidenced through the cosmic microwave background and the universe structure at a large scale. However, extrapolating back further from this early state reaches singularity which cannot be explained by modern physics and the big bang theory is no longer valid. In addition, one can expect a nonuniform energy distribution across the universe from a sudden expansion. However, highly accurate measurements reveal an equal temperature mapping across the universe which is contradictory to the big bang principles. To resolve this issue, it is believed that cosmic inflation occurred at the very early stages of the birth of the universe According to the cosmic inflation theory, the elements which formed the universe underwent a phase of exponential growth due to the existence of a large cosmological constant. The inflation phase allows the uniform distribution of energy so that an equal maximum temperature could be achieved across the early universe. Also, the evidence of quantum fluctuations of this stage provides a means for studying the types of imperfections the universe would begin with. Although well-established theories such as cosmic inflation and the big bang together provide a comprehensive picture of the early universe and how it evolved into its current state, they are unable to address the singularity paradox at the time of universe creation. Therefore, a practical model capable of describing how the universe was initiated is needed. This research series aims at addressing the singularity issue by introducing an energy conversion mechanism. This is accomplished by establishing a state of energy called a “neutral state”, with an energy level which is referred to as “base energy” capable of converting into other states. Although it follows the same principles, the unique quanta state of the base energy allows it to be distinguishable from other states and have a uniform distribution at the ground level. Although the concept of base energy can be utilized to address the singularity issue, to establish a complete picture, the origin of the base energy should be also identified. This matter is the subject of the first study in the series “A Conceptual Study for Investigating the Creation of Energy and Understanding the Properties of Nothing” which is discussed in detail. Therefore, the proposed concept in this research series provides a road map for enhancing our understating of the universe's creation from nothing and its evolution and discusses the possibility of base energy as one of the main building blocks of this universe.

Keywords: big bang, cosmic inflation, birth of universe, energy creation

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Authors: Kita R. Ashman, Anthony R. Rendall, Matthew R. E. Symonds, Desley A. Whisson

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Forest cover is decreasing globally, chiefly due to the conversion of forest to agricultural landscapes. In contrast, the area under plantation forestry is increasing significantly. For wildlife occupying landscapes where native forest is the dominant land cover, plantations generally represent a lower value habitat; however, plantations established on land formerly used for pasture may benefit wildlife by providing temporary forest habitat and increasing connectivity. This study investigates the influence of landscape, site, and climatic factors on koala population density in far south-west Victoria where there has been extensive plantation establishment. We conducted koala surveys and habitat characteristic assessments at 72 sites across three habitat types: plantation, native vegetation blocks, and native vegetation strips. We employed a hierarchical modeling framework for estimating abundance and constructed candidate multinomial N-mixture models to identify factors influencing the abundance of koalas. We detected higher mean koala density in plantation sites (0.85 per ha) than in either native block (0.68 per ha) or native strip sites (0.66 per ha). We found five covariates of koala density and using these variables, we spatially modeled koala abundance and discuss factors that are key in determining large-scale distribution and density of koala populations. We provide a distribution map that can be used to identify high priority areas for population management as well as the habitat of high conservation significance for koalas. This information facilitates the linkage of ecological theory with the on-ground implementation of management actions and may guide conservation planning and resource management actions to consider overall landscape configuration as well as the spatial arrangement of plantations adjacent to the remnant forest.

Keywords: abundance modelling, arboreal mammals plantations, wildlife conservation

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Authors: Muhammad Sheraz, Vasile Preda, Silvia Dedu

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Concepts of econophysics are usually used to solve problems related to uncertainty and nonlinear dynamics. In the theory of option pricing the risk neutral probabilities play very important role. The application of entropy in finance can be regarded as the extension of both information entropy and the probability entropy. It can be an important tool in various financial methods such as measure of risk, portfolio selection, option pricing and asset pricing. Gulko applied Entropy Pricing Theory (EPT) for pricing stock options and introduced an alternative framework of Black-Scholes model for pricing European stock option. In this article, we present solutions to maximum entropy problems based on Tsallis, Weighted-Tsallis, Kaniadakis, Weighted-Kaniadakies entropies, to obtain risk-neutral densities. We have also obtained the value of European call and put in this framework.

Keywords: option pricing, Black-Scholes model, Tsallis entropy, Kaniadakis entropy, weighted entropy, risk-neutral density

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Authors: Samuel Quashie

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The importance of theory for PhD construction management research cannot be underestimated, as it requires a sound theoretical basis. Theory efficiency reduces errors in the research problem, solving it by building upon current theory. Provides a structure for examination, enables the efficient development of the construction management field and to it practical real world problems. The aim is to develop the theoretical framework for the application of descriptive theory within the PhD research design To apply the proposed theoretical framework using the case of the topic of ‘integrated management system,’ classifying the phenomena into categories, explore the association between the category–defining attributes and the outcome observed. Forming categorization based upon attributes of phenomena (framework and typologies), and statement of association (models). Predicting (deductive process) and confirming (inductive process). The descriptive theory is important and provides a structure for examination, enables the efficient development of construction management field and to it practical real world problems. In conclusion, the work done in management presents fertile ground for research and theory development.

Keywords: descriptive theory, PhD research design, theoretical framework, construction management

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Authors: Y. S. Oh, P. Abhishesh, B. S. Ryuh

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This paper presents the method of trajectory planning by the robot end-effector which accounts for more accurate and smooth differential geometry of the ruled surface generated by tool line fixed with end-effector based on the methods of curvature theory of ruled surface and the dual curvature theory, and focuses on the underlying relation to unite them for enhancing the efficiency for trajectory planning. Robot motion can be represented as motion properties of the ruled surface generated by trajectory of the Tool Center Point (TCP). The linear and angular properties of the six degree-of-freedom motion of end-effector are computed using the explicit formulas and functions from curvature theory and dual curvature theory. This paper explains the complete dualization of ruled surface and shows that the linear and angular motion applied using the method of dual curvature theory is more accurate and less complex.

Keywords: dual curvature theory, robot end effector, ruled surface, TCP (Tool Center Point)

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Authors: Toshiyuki Satoh, Hiroki Hara, Naoki Saito, Jun-ya Nagase, Norihiko Saga

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This paper addresses a control system design for a table drive system based on the disturbance observer (DOB)-based predictive functional critical control (PFCC). To empower the previously developed DOB-based PFC to handle constraints on controlled outputs, we propose to take a critical control approach. To this end, we derive the transfer function representation of the PFC controller, and yield a detailed design procedure. The effectiveness of the proposed method is confirmed through an experimental evaluation.

Keywords: critical control, disturbance observer, mechatronics, motion control, predictive functional control, table drive systems

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Authors: Danielle L. Iamarino

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This paper explores the embattled territory of academic creative writing—and most focally, the use of critical theory in the teaching and structuring of creative practice. It places creative writing in contemporary social, cultural, and otherwise anthropological contexts, and evaluates conventional creative writing pedagogies based on how well they serve the updated needs of increasingly diverse student congregations. With continued emphasis on student-centered learning, this paper compares theoretical to practical applications of discipline-specific knowledge, examining and critiquing theory in terms of its relevance, accessibility, and whether or not it is both actionable and beneficial in the creative writing classroom.

Keywords: creative writing, literary theory, content, pedagogy, workshop, teaching

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Authors: Dessie Tibebe, Yeshifana Ayenew, Marye Mulugeta, Yezbie Kassa, Zerubabel Moges, Dereje Yenealem, Tarekegn Fentie, Agmas Amare, Hailu Sheferaw Ayele

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Electrochemical treatment technology is a technique used for wastewater treatment due to its ability to eliminate impurities that are not easily removed by chemical processes. The objective of the study is the treatment and characterization of textile wastewater by an electrochemical process. The results obtained at various operational parameters indicated that at 20 minutes of electrochemical process at ( pH =7), initial concentration 10 mg/L, current density 37.5 mA/cm², voltage 9 v and temperature 25⁰C the highest removal efficiency was achieved. The kinetics of removal of selected metal by electrochemical treatment has been successfully described by the first-order rate equation. The results of microscopic techniques using SEM for the scarified electrode before treatment were uniform and smooth, but after the electrochemical process, the morphology was completely changed. This is due to the detection of the adsorbed aluminum hydroxide coming from adsorption of the conducting electrolyte, chemicals used in the experiments, alloying and the scrap impurities of the anode and cathode. The FTIR spectroscopic analysis broad bands at 3450 cm-¹ representing O-H functional groups, while the presence of H-O-H and Al-H groups are indicated by the bands at 2850-2750 cm-¹ and 1099 representing C-H functional groups.

Keywords: electrochemical, treatment, textile wastewater, kinetics, removal efficiency

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Authors: Farideh Alizadeh, Mohd Nasir Hashi

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Present research investigates eclecticism in Iranian theatre on the basis of eclectic theory. Eclectic theatre is a new theory in postmodernism. The theory appeared during 60th – 70th century in some theatres such as “Conference of the Birds”. Special theatrical forms have been developed in many geographical- cultural areas of the world and are indigenous to that area. These forms, as compared with original forms, are considered to be traditional while being comprehensive, the form is considered to be national. Kaboudan and Sfandiar theatre has been influenced by elements of traditional form of Iran.

Keywords: eclectic theatre, theatrical forms, tradition, play

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Authors: Majid Farsadrooh, Mehran Feizi-Dehnayebi

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Serum albumin is the most abundant protein that is present in the circulatory system of a wide variety of organisms. Although it is a significant macromolecule, it can contribute to osmotic blood pressure and also, plays a superior role in drug disposition and efficiency. Molecular docking simulation can improve in silico drug design and discovery procedures to propound a lead compound and develop it from the discovery step to the clinic. In this study, the molecular docking simulation was applied to select a lead molecule through an investigation of the interaction of the two anticancer drugs (Alitretinoin and Abemaciclib) with Human Serum Albumin (HSA). Then, a series of new compounds (a-e) were suggested using lead molecule modification. Density functional theory (DFT) including MEP map and HOMO-LUMO analysis were used for the newly proposed compounds to predict the reactivity zones on the molecules, stability, and chemical reactivity. DFT calculation illustrated that these new compounds were stable. The estimated binding free energy (ΔG) values for a-e compounds were obtained as -5.78, -5.81, -5.95, -5,98, and -6.11 kcal/mol, respectively. Finally, the pharmaceutical properties and toxicity of these new compounds were estimated through OSIRIS DataWarrior software. The results indicated no risk of tumorigenic, irritant, or reproductive effects and mutagenicity for compounds d and e. As a result, compounds d and e, could be selected for further study as potential therapeutic candidates. Moreover, employing molecular docking simulation with the prediction of pharmaceutical properties helps to discover new potential drug compounds.

Keywords: drug design, anticancer, computational studies, DFT analysis

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Authors: Ivan Ravlich, Ivan Linscott, Sigrid Close

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The experimental search for spin coupling in General Relativity via torsion has been inconclusive. In this work, further experimental avenues to test dynamic torsion are proposed and evaluated. In the extended theory, by relaxing the torsion free condition on the metric connection, general relativity is reformulated to relate the spin density of particles to a new quantity, the torsion tensor. In torsion theories, the spin tensor and torsion tensor are related in much the same way as the stress-energy tensor is related to the metric connection. Similarly, as the metric is the field associated with the metric connection, fields can be associated with the torsion tensor resulting in a field that is either propagating or static. Experimental searches for static torsion have thus far been inconclusive, and currently, there have been no experimental tests for propagating torsion. Experimental tests of propagating theories of torsion are proposed utilizing various spin densities of matter, such as interfaces in superconducting materials and plasmas. The experimental feasibility and observable bounds are estimated, and the most viable candidates are selected to pursue in detail in a future work.

Keywords: general relativity, gravitation, propagating torsion, spin density

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Authors: Rory Anthony Hutagalung, Leonardus Widjaja

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Microalgae Meyerella planktonica is a potential biofuel source because it can grow in bulk in either autotrophic or heterotrophic condition. However, the quantitative growth of this algal type is still low as it tends to precipitates on the bottom. Beside, the lipid concentration is still low when grown in autotrophic condition. In contrast, heterotrophic condition can enhance the lipid concentration. The combination of autotrophic condition and agitation treatment was conducted to increase the density of the culture. On the other hand, a heterotrophic condition was set up to raise the lipid production. A two-stage experiment was applied to increase the density at the first step and to increase the lipid concentration in the next step. The autotrophic condition resulted higher density but lower lipid concentration compared to heterotrophic one. The agitation treatment produced higher density in both autotrophic and heterotrophic conditions. The two-stage experiment managed to enhance the density during the autotrophic stage and the lipid concentration during the heterotrophic stage. The highest yield was performed by using 0.4% v/v glycerol as a carbon source (2.9±0.016 x 106 cells w/w) attained 7 days after the heterotrophic stage began. The lipid concentration was stable starting from day 7.

Keywords: agitation, glycerol, heterotrophic, lipid productivity, Meyerella planktonica

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Authors: V. A. Dubovsky, V. V. Savchenko, A. A. Baryskevich

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The current trend in the automotive industry towards automatic vehicles is creating new challenges related to human factors. This occurs due to the fact that the driver is increasingly relieved of the need to be constantly involved in driving the vehicle, which can negatively impact his/her situation awareness when manual control is required, and decrease driving skills and abilities. These new problems need to be studied in order to provide road safety during the transition towards self-driving vehicles. For this purpose, it is important to develop an appropriate conceptual model of the interaction between the driver and the automated vehicle, which could serve as a theoretical basis for the development of mathematical and simulation models to explore different aspects of driver behaviour in different road situations. Well-known driver behaviour models describe the impact of different stages of the driver's cognitive process on driving performance but do not describe how the driver controls and adjusts his actions. A more complete description of the driver's cognitive process, including the evaluation of the results of his/her actions, will make it possible to more accurately model various aspects of the human factor in different road situations. This paper presents a conceptual model of the 'driver – highly automated vehicle' system based on the P.K. Anokhin's theory of functional systems, which is a theoretical framework for describing internal processes in purposeful living systems based on such notions as goal, desired and actual results of the purposeful activity. A central feature of the proposed model is a dynamic coupling mechanism between the decision-making of a driver to perform a particular action and changes of road conditions due to driver’s actions. This mechanism is based on the stage by stage evaluation of the deviations of the actual values of the driver’s action results parameters from the expected values. The overall functional structure of the highly automated vehicle in the proposed model includes a driver/vehicle/environment state analyzer to coordinate the interaction between driver and vehicle. The proposed conceptual model can be used as a framework to investigate different aspects of human factors in transitions between automated and manual driving for future improvements in driving safety, and for understanding how driver-vehicle interface must be designed for comfort and safety. A major finding of this study is the demonstration that the theory of functional systems is promising and has the potential to describe the interaction of the driver with the vehicle and the environment.

Keywords: automated vehicle, driver behavior, human factors, human-machine system

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Authors: Forrest Kaatz, Adhemar Bultheel

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We use an informational statistical mechanics approach to study the catalytic thermodynamics of platinum and palladium cuboctahedral nanoclusters. Nanoclusters and their adatoms are viewed as chemical graphs with a nearest neighbor adjacency matrix. We use the Morse potential to determine bond energies between cluster atoms in a coordination type calculation. We use adsorbate energies calculated from density functional theory (DFT) to study the adatom effects on the thermodynamic quantities, which are derived from a Hamiltonian. Oxygen radical and molecular adsorbates are studied on platinum clusters and hydrogen on palladium clusters. We calculate the entropy, free energy, and total energy as the coverage of adsorbates increases from bridge and hollow sites on the surface. Thermodynamic behavior versus adatom coverage is related to the structural distribution of adatoms on the nanocluster surfaces. The thermodynamic functions are characterized using a simple adsorption model, with linear trends as the coverage of adatoms increases. The data exhibits size effects for the measured thermodynamic properties with cluster diameters between 2 and 5 nm. Entropy and enthalpy calculations of Pt-O2 compare well with previous theoretical data for Pt(111)-O2, and our Pd-H results show similar trends as experimental measurements for Pd-H2 nanoclusters. Our methods are general and may be applied to wide variety of nanocluster adsorbate systems.

Keywords: catalytic thermodynamics, palladium nanocluster absorbates, platinum nanocluster absorbates, statistical mechanics

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Authors: Akbar

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Pros and cons of the capital punishment in Indonesia have been out of the date. The discourse of capital punishment has no relevance to the theory of punishment and theories of cultural relativism. In fact, the provisions of exceptions to the right to life by administering the death penalty against the perpetrators of serious crimes in Indonesia is a narrow perspective that does not pay attention to the development of the punishment of the crime. This thing is aggravated by an error to understand the natural right and legal right where the prohibition of those rights is result from a failure to distinguish the characteristic of the rights and to remember the raison d’être of law. To parse the irrational above, this paper will try to analyze normatively the error referring to the complementary theory between the sources of international law and the sources of municipal law of Indonesia. Both sources of the law above should be understood in the mutually reinforcing relationship enforceability because of false perceptions against those will create the disintegration between international law and municipal law of Indonesia. This disintegration is explicit not only contrary to the integrative theory of international law but also integrative theory of municipal law of Indonesia.

Keywords: capital punishment, municipal law, right to life, international law, the raison d’être of law, complementary theory, integrative theory

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Authors: Gholamreza Koochaki

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This paper presents the buckling analysis of functionally graded beams with various boundary conditions. The first order shear deformation beam theory (Timoshenko beam theory) and the classical theory (Euler-Bernoulli beam theory) of Reddy have been applied to the functionally graded beams buckling analysis The material property gradient is assumed to be in thickness direction. The equilibrium and stability equations are derived using the total potential energy equations, classical theory and first order shear deformation theory assumption. The temperature difference and applied voltage are assumed to be constant. The critical buckling temperature of FG beams are upper than the isotropic ones. Also, the critical temperature is different for various boundary conditions.

Keywords: buckling, functionally graded beams, Hamilton's principle, Euler-Bernoulli beam

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Authors: Errol J. Haarhoff

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Housing in New Zealand, particularly in Auckland, is dominated by low-density suburbs. Over the past 20 years, housing intensification policies aimed to curb outward low-density sprawl and to concentrate development within an urban boundary have been implemented. This requires the greater deployment of attached housing typologies such apartments, duplexes and terrace housing. There has been strong market response and uptake for higher density development, with the number of building approvals received by the Auckland Council for attached housing units increasing from around 15 percent in 2012/13, to 54 percent in 2017/18. A key question about intensification and strong market uptake in a city where lower density has been the norm, is whether higher density neighborhoods will deliver necessary housing satisfaction? This paper reports on the findings to a questionnaire survey and focus group discussions probing resident perceptions to living at higher density in relation to their dwellings, the neighborhood and their sense of community. The findings reveal strong overall housing satisfaction, including key aspects such as privacy, noise and living in close proximity to neighbors. However, when residents are differentiated in terms of length of tenure, age or whether they are bringing up children, greater variation in satisfaction is detected. For example, residents in the 65-plus age cohort express much higher levels of satisfaction, when compared to the 18-44 year cohorts who more likely to be binging up children. This suggests greater design sensitivity to better accommodate the range of household types. Those who have live in the area longer express greater satisfaction than those with shorter duration, indicating time for adaption to living at higher density. Findings strongly underpin the instrumental role that the public amenities play in overall housing satisfaction and the emergence of a strong sense of community. This underscores the necessity for appropriate investment in the public amenities often lacking in market-led higher density housing development. We conclude with an evaluation of the PPP model, and its part in delivering housing satisfaction. The findings should be of interest to cities, housing developers and built environment professional pursuing housing policies promoting intensification and higher density.

Keywords: medium density, housing satisfaction, neighborhoods, sense of community

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Authors: O. Rozita, N. M. Nik Aziz

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High-density planting is usually recommended for a small area of planting in order to increase production. The normal planting distance for cocoa (Theobroma cacao L.) in Malaysia is 3 m x 3 m. The study was conducted at Cocoa Research and Development Centre, Malaysia Cocoa Board, Jengka, Pahang with the objectives to evaluate the suitability of seven cocoa clones under four different planting densities and to study the interaction between cocoa clones and planting densities. The study was arranged in the split plot with randomized complete block design and replicated three times. The cocoa clone was assigned as the main plot and planting density was assigned as a subplot. The clones used in this study were PBC 123, PBC 112, MCBC4, MCBC 5, QH 1003, QH 22, and BAL 244. The planting distance were 3 m x 3 m (1000 stands/ha), 3 m x 1.5 m (2000 stands/ha), 3 m x 1 m (3000 stands/ha) and (1.5 m x 1.5 m) x 3 m (3333 stands/ha). Evaluation on yield performance was carried out for seven years. Clones of PBC 123, QH 1003, and QH 22 obtained the higher yield, meanwhile MCBC 4, MCBC 5, and BAL 244 obtained the lowest yield. In general, high-density planting can increase cocoa production with good management practices. Among the cocoa management practices, the selection of suitable clones with small branching habits and moderately vigorous and proper pruning activity were the most important factor in high-density planting.

Keywords: clones, management, planting density, Theobroma cacao, yield

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Authors: David A. Harness

Abstract:

Natural evolution of ATP cognitive systems is to meet AI peer review standards. ATP process of axiom selection from Mizar to prove a conjecture would be further refined, as in all human and machine learning, by solving the real world problem of the proposed AI peer review challenge: Determine which conjecture forms the higher confidence level constructive proof between Standard Model of Physics SU(n) lattice gauge group operation vs. present non-standard 4D GEM EOS SU(n) lattice gauge group spatially extended operation in which the photon and electron are the first two trace angular momentum invariants of a gravitoelectromagnetic (GEM) energy momentum density tensor wavetrain integration spin-stress pressure-volume equation of state (EOS), initiated via 32 lines of Mathematica code. Resulting gravitoelectromagnetic spectrum ranges from compressive through rarefactive of the central cosmological constant vacuum energy density in units of pascals. Said self-adjoint group operation exclusively operates on the stress energy momentum tensor of the Einstein field equations, introducing quantization directly on the 4D spacetime level, essentially reformulating the Yang-Mills virtual superpositioned particle compounded lattice gauge groups quantization of the vacuum—into a single hyper-complex multi-valued GEM U(1) × SU(1,3) lattice gauge group Planck spacetime mesh quantization of the vacuum. Thus the Mizar corpus already contains all of the axioms required for relevant DeepMath premise selection and unambiguous formal natural language parsing in context deep learning.

Keywords: automated theorem proving, constructive quantum field theory, information theory, neural networks

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Authors: Ye Ling, Jiang Yuting, Ruan Haihui

Abstract:

Zinc ion capacitors (ZICs) have garnered tremendous interest recently from researchers due to the perfect integration of batteries and supercapacitors (SC). However, ZICs are currently still facing two major challenges, one is low specific capacitance because of the limited capacity of capacitive cathode materials. In this work, TiN/CNC composites were obtained by a creative method composed of simple mixing and calcination treatment of tetrabutyl titanate (TBOT) and ZIF-8. The formed TiN particles are of ultra-small size and distributed uniformly on the nanoporous carbon matrix, which enhances the conductivity of the composites and the micropores caused by the evaporation of zinc during the calcination process and can serve as the reservoir of electrolytes; both are beneficial to zinc ion storage. When it was used as a cathode with zinc metal and 2M ZnSO₄ as the anode and electrolyte, respectively, in a ZIC device, the assembled device delivered a maximum energy density as high as 153 Wh kg-¹ at a power density of 269.4 W kg-¹, which is superior to many ZICs as reported. Also, it can maintain an energy density of 83.7 Wh kg-¹ at a peak power density of 8.6 kW kg-¹, exhibiting good rate performance. Moreover, when it was charged/discharged for 5000 cycles at a current density of 5 A g-¹, it remained at 85.8% of the initial capacity with a Coulombic efficiency (CE) of nearly 100%.

Keywords: zinc ion capacitor, metal nitride, zif-8, supercapacitor

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Authors: Wu Yiqun, Weng Jiantao

Abstract:

The human settlements of China are picked up from the land use vector map by interpreting the Thematic Map of 2014. This paper established the sustainable human settlements geographical division evaluation system and division model using GIS. The results show that: The density of human residential areas in China is different, and the density of sustainable human areas is higher, and the west is lower than that in the West. The regional differences of sustainable human settlements are obvious: the north is larger than that the south, the plain regions are larger than those of the hilly regions, and the developed regions are larger than the economically developed regions. The geographical distribution of the sustainable human settlements is measured by the degree of porosity. The degree of porosity correlates with the sustainable human settlement density. In the area where the sustainable human settlement density is high the porosity is low, the distribution is even and the gap between the settlements is low.

Keywords: GIS, geographical division, sustainable human settlements, China

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Authors: Noor Taleb Ismael, Areej Abd Al Kareem Al Titi, Ala'a Fayez Jaber

Abstract:

Objectives: To investigate self-perceived functional performance among adults with IDD who are Jordanian residential care and rehabilitation centers residents. Also, to investigate their functional abilities (i.e., motor, and cognitive). In addition, to determine the motor and cognitive predictors of their functional performance. Methods: The study utilized a cross-sectional descriptive design; the sample included 180 individuals with IDD (90 males and 90 females) aged 18 to 75 years. The inclusion criteria encompassed: 1) Adults with a confirmed IDD by their physician’s professional and 2) residents in Jordanian Residential Care and Rehabilitation Centers affiliated with the Jordanian Ministry of Social Development. The exclusion criteria were: 1) bedridden or totally dependent on their care providers; 2) who had an accident or acquired neurological conditions. Researchers conducted semi-structured interviews to complete the outcome measures that include the Canadian Occupational Performance Measure (COPM), the Functional Independence Measure (FIM), the Montreal Cognitive Assessment (MoCA), the Mini-Mental Status Examination (MMSE), and the sociodemographic questionnaire. Data analyses consisted of descriptive statistics, analysis of frequencies, correlation, and regression analyses. Result: Individuals with IDD showed low functional performance in all daily life areas, including self-care, productivity, and leisure; there was severe cognitive impairment and poor independence and functional performance. (COPM Performance M= 1.433, SD±.57021, COPM Satisfaction M= 1.31, SD±.54, FIM M= 3.673, SD± 1.7918). Two predictive models were validated for the COPM performance and FIM total scores. First, significant predictors of high self-perceived functional performance on COPM were high scores on FIM Motor sub scores, FIM cognitive sub scores, young age, and having a high school educational level (R2=0.603, p=0.012). Second, significant predictors of high functional capacity on FIM were a high score on the COPM performance subscale, a high MMSE score, and having a cerebral palsy (CP) diagnosis (R2=0.671, p<0.001). Conclusions: Evaluating functional performance and associated factors is important in rehabilitation to provide better services and improve health and QoL for individuals with IDD. This study suggested conducting future studies targeting integrated individuals with IDD who live with their families in the communities.

Keywords: functional performance, intellectual and developmental disabilty, cognitive abilities, motor abilities

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