• Bulletin of the Korean Chemical Society
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• v.17 no.12
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• pp.1112-1117
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• 1996

The electronic structures of twenty-seven isomers of a macrocyclic fulleropyrrolidine are investigated with semi-empirical extended Huckel (EH) molecular orbital method. The geometry of each isomer is determined by the molecular mechanics and dynamics methods based on UFF (universal force field) empirical force field. The calculated geometries, such as the carbon-carbon distances of the fullerene moiety, are in good agreement with those of related fullerene derivatives. The EH calculation shows that the formation of macrocyclic pyrrolidine ring on fullerene moiety results in the reduction of the HOMO-LUMO energy gap. From the graphical analysis of the DOS (density of states), PDOS (projected DOS), and MOOP (molecular orbital overlap population) curves, we can find that this reduction is due to splitting of the HOMO of fullerene moiety, which results from the symmetry-breaking and the distortion of the buckminsterfullerene framework from its ideal icosahedral structure.

• Structural Engineering and Mechanics
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• v.59 no.5
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• pp.901-920
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• 2016

MeshFree methods have become popular owing to the ease with which high stress gradients can be identified and node density distribution can be reformulated to accomplish faster convergence. This paper presents a strategy for nodal density refinement with strain energy as basis in Element-Free Galerkin MeshFree technique. Two popular flat plate problems are considered for the demonstration of the proposed strategies. Issue of integration errors introduced during nodal density refinement have been addressed by suggesting integration cell refinement. High stress effects around two symmetrical semi-circular notches under in-plane axial load have been addressed in the first problem. The second considers crack propagation under mode I and mode II fracture loading by the way of introducing high stress intensity through line crack. The computational efficacy of the adaptive refinement strategies proposed has been highlighted.

• Journal of Powder Materials
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• v.26 no.1
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• pp.45-48
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• 2019

Quantum dots (QDs) are an attractive material for application in solar energy conversion devices because of their unique properties including facile band-gap tuning, a high-absorption coefficient, low-cost processing, and the potential multiple exciton generation effect. Recently, highly efficient quantum dot-sensitized solar cells (QDSCs) have been developed based on CdSe, PbS, CdS, and Cu-In-Se QDs. However, for the commercialization and wide application of these QDSCs, replacing the conventional rigid glass substrates with flexible substrates is required. Here, we demonstrate flexible CISe QDSCs based on vertically aligned $TiO_2$ nanotube (NT) electrodes. The highly uniform $TiO_2$ NT electrodes are prepared by two-step anodic oxidation. Using these flexible photoanodes and semi-transparent Pt counter electrodes, we fabricate the QDSCs and examine their photovoltaic properties. In particular, photovoltaic performances are optimized by controlling the nanostructure of $TiO_2$ NT electrodes.

• Steel and Composite Structures
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• v.33 no.2
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• pp.245-259
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• 2019

The present study aims to investigate the ultimate strength and geometric nonlinear behavior of composite plates containing initial imperfection subjected to combined end-shortening strain and lateral pressure loading by using a semi-analytical method. In this study, the first order shear deformation plate theory is considered with the assumption of large deflections. Regarding in-plane boundary conditions, two adjacent edges of the laminates are completely held while the two others can move straightly. The formulations are based on the concept of the principle of minimum potential energy and Newton-Raphson technique is employed to solve the nonlinear set of algebraic equations. In addition, Hashin failure criteria are selected to predict the failures. Further, two distinct models are assumed to reduce the mechanical properties of the failure location, complete ply degradation model, and ply region degradation model. Degrading the material properties is assumed to be instantaneous. Finally, laminates having a wide range of thicknesses and initial geometric imperfections with different intensities of pressure load are analyzed and discuss how the ultimate strength of the plates changes.

• Bulletin of the Korean Chemical Society
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• v.6 no.4
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• pp.191-196
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• 1985

The MNDO was found to be the most reliable semi-empirical SCF-MO method for the studies of $S_N2$ reactions involving anion and neutral molecule. The results of our MNDO calculations on the $S_N2$ reactions of $CH_3X$ + $Y^-$ → $CH_3Y$ + X- where X = H, F, Cl, CN, $CH_3$, and Y = F, $CH_3$ showed that the order of the leaving group ability is the reverse of the order of proton affinities. It was also found that there is no symbiosis involved in the SN2 transition state and the departure of the leaving group is relatively late in contrast to the early bond formation of the nucleophile. The Marcus equation was found to apply to the MNDO barriers and energy changes.

• Journal of the Korean Institute of Telematics and Electronics
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• v.24 no.3
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• pp.445-452
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• 1987

In this paper, a model for characteristics in the AlxGa1-xAs layer of MODFET's is presented. The characteristics of conduction band in the AlxGa1-xAs layer is analyzed with the Fermi-Dirac statistics. And using the conduction band energy which is calculated with the numerical calculation method (false-Positon method), the variations of the electric-field distribution, the ionized donor concentration, and the two-dimensional electron gas density with gate voltage are calculated, respectively. The channel formation process for the parasitic MESFET operation in the MOD structure is also analyzed, and the characteristics in the AlxGa1-xAs layer is analytically modeled. The throretical results describe well the general characteristics in the MOD structure.

• International conference on construction engineering and project management
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• 2011.02a
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• pp.162-167
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• 2011

Construction projects are full of risks. This is particularly the case in civil construction projects that are often featured with large scale, complexity and involving a large number of participating parties. The eventuation of risks typically results in extended project durations leading to an increase in the total project budget. The consequence can be amplified considering the significant impacts of civil construction projects on the society, from economical, environmental and social perspectives. This research investigates the significance of risks within civil construction projects and approaches to deal with risks. Semi-structured interviews were undertaken with local industry practitioners in South Australia on this matter. It is found that the industry is fairly aware of risks associated with civil construction projects and subsequently has procedures in place to attempt to minimize the impacts of these risks on the project outcomes. The interview results also indicate that there is limited utilization of software for the risk management purpose from the cost estimation perspective.

• Nutritional Sciences
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• v.6 no.3
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• pp.173-184
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• 2003

Objective : This study was carried out to develop a semi-quantitative food frequency Questionnaire (SQFFQ) for estimating average dietary intake to determine the risk factor for lifestyle-related diseases in a conjoint cohort study. Design : We developed an SQFFQ for genomic epidemiological studies based on the data in the'98 Korea Health and Nutrition Examination Survey. A subset of data on informative food items was collected using the 24-hr recall method with 2,714 adults aged 40 or older living in middle-sized cities or in rural areas in Korea. The cumulative percent contribution and cumulative multiple regression coefficients of 17 nutrients (energy, fat, carbohydrate, protein, fiber, iron, potassium, sodium, calcium, phosphorus, vitamin A, retinol, $\beta$-carotene, vitamin $B_1$, vitamin $B_2$, niacin and vitamin C) of each food were computed. Results : Two hundred and forty-nine foods, which were selected based on their 0.9 cumulative percent contribution, and 254 foods, which were selected based on their 0.9 cumulative multiple regression coefficients, respectively, were grouped into 97 food groups according to their nutrient contents. Several popular Korean foods, which were missing from the list due to the seasonality of the survey, were included. The portion sizes were derived from the same data set. The SQFFQ covered 84.8 percent of the intake of 17 nutrients in the one day diet record data of our 326 cohort study subjects. Conclusions . The final list included 103 food items. The foods list in the SQFFQ described herein accounted for 84.8 percent of the average intake of 17 nutrients. Therefore, the list could be used for the assessment of the baseline dietary intakes of the conjoint cohort studies.

• Asian-Australasian Journal of Animal Sciences
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• v.27 no.5
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• pp.609-615
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• 2014

Appetite-related neuropeptides proopiomelanocortin (POMC) and Neuropeptide Y (NPY) are essential for regulating feeding behavior and energy homeostasis. The objective of this study was to evaluate the effects of variants in POMC and NPY genes on growth, carcass and meat quality traits in rabbits. A total of six SNPs were identified for POMC (n = 2) and NPY (n = 4) genes by direct sequencing. Three SNPs were subsequently genotyped by using MassArray system (Sequenom iPLEXassay) in 235 individuals, which belong to three meat rabbit breeds, including 93 Ira rabbits; 81 Champagne rabbits and 61 Tianfu black rabbits. The SNP c.112-12G>T was in intron-exon boundaries (intron 1) of POMC gene, and the association analysis showed that individuals with TT genotype had a greater 84 d body weight (BW84), eviscerated weight and semi-eviscerated weight than those with GT genotype (p<0.05); the TT individuals were also higher than those GG in the ripe meat ratio (RMR) (p<0.05). The g.1778G>C SNP, which was in complete linkage with other three SNPs (g.1491G>A, g.1525G>T and g.1530C>T) in intron 1 of NPY gene, was significantly correlated with eviscerated slaughter percentage and semi-eviscerated slaughter percentage in rabbits, and the individuals with CC genotype had a better performance than CG genotype (p<0.05). These findings would provide primary clues for the biological roles of POMC and NPY underlying the rabbit growth-related traits.

• Smart Structures and Systems
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• v.20 no.1
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• pp.85-97
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• 2017

The aim of this research is to develop a new method to use magnetorheological (MR) damper for vibration control. It is a new way to achieve the MR damper response without the need to have detailed constant parameters estimations. The methodology adopted in designing the control structure in this work is based on the experimental results. In order to investigate and understand the behaviour of an MR damper, an experiment is first conducted. Force-displacement and force-velocity responses with varying current have been established to model the MR damper. The force for upward and downward motions of the damper piston is found to be increasing with current and velocity. In cyclic motion, which is the combination of upward and downward motions of the piston, the force with hysteresis behaviour is seen to be increasing with current. In addition, the energy dissipated is also found to be linear with current. A proportional-integral-derivative (PID) controller, based on the established characteristics for a quarter car suspension model, has been adapted in this study. A fuzzy rule based PID controller (F-PID) is opted to achieve better response for a varying frequency input. The outcome of this study can be used in the modelling of MR damper and applied to control engineering. Moreover, the identified behaviour can help in further development of the MR damper technology.