• Bulletin of the Korean Chemical Society
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• v.35 no.4
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• pp.1043-1049
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• 2014

Density functional theory (DFT) calculations at the B3LYP/6-31G(d,p) theoretical level were performed for two novel explosives (compounds B and C) based on the guanidine-fused bicyclic skeleton $C_4N_6H_8$ (A). The heats of formation (HOFs) were calculated via isodesmic reaction. The detonation properties were evaluated by using the Kamlet-Jacobs equations. The bond dissociation energies (BDEs) for the thermolysis initiation bond were also analyzed to investigate the thermal stability. The results show that the compounds have high positive HOF values (B, 1064.68 $kJ{\cdot}mol^{-1}$; C, 724.02 $kJ{\cdot}mol^{-1}$), high detonation properties (${\rho}$, D and P values of 2.04 $g{\cdot}cm^{-3}$ and 2.21 $g{\cdot}cm^{-3}$, 9.98 $km{\cdot}s^{-1}$ and 10.99 $km{\cdot}s^{-1}$, 46.44 GPa and 59.91 Gpa, respectively) and meet the basic stability requirement. Additionally, feasible synthetic routes of the these high energy density compounds (HEDCs) were also proposed via retrosynthetic analysis.

• Bulletin of the Korean Chemical Society
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• v.33 no.6
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• pp.1913-1918
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• 2012

The nitramine explosives with $-NH_2$ and -F groups were optimized to obtain their molecular geometries and electronic structures at DFT-B3LYP/6-31+G(d) level. The theoretical molecular density (${\rho}$), heat of formation (HOF), detonation velocity ($D$) and detonation pressure ($P$), estimated using Kamlet-Jacobs equations, showed that the detonation properties of these compounds were excellent. Based on the frequencies scaled by 0.96 and the principle of statistic thermodynamics, the thermodynamic properties were evaluated, which were respectively related with the temperature. The simulation results reveal that 1,3,5,7-tetranitro-1,3,5,7-tetrazocan-2-amine (molecule B1) performs similarly to the famous explosive HMX, and 2-fluoro-1,3,5-trinitro-1,3,5-triazinane (molecule C1) and 2-fluoro-1,3,5,7-tetranitro-1,3,5,7-tetrazocane (molecule D1) outperform HMX. According to the quantitative standard of energetics and stability as an HEDC (high energy density compound), molecules C1 and D1 essentially satisfy this requirement. These results provide basic information for molecular design of novel high energetic density compounds.

• School Mathematics
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• v.5 no.3
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• pp.343-360
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• 2003

In this paper, we deal with the teaching of algebra based on patterns and generalization. The past algebra curriculum starts with letters(variables), algebraic expressions, and equations, but these formal approaching method has many difficulties in the school algebra. Therefore we insist the new algebraic approaches should be needed. In order to develop these instructions, we firstly investigate the relationship of patterns and algebra, the relationship of generalization and algebra, the steps of generalization from patterns and levels of difficulties. Next we look into the algebra instructions based arithmetic patterns, visual patterns and functional situations. We expect that these approaches help students learn algebra when they begin school algebra.

• Journal of Information Technology Services
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• v.20 no.4
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• pp.113-128
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• 2021

In the rapidly developing 4th industrial revolution. RPA is increasing in use at home and abroad due to its advantages of simplifying workflow and providing flexibility and scalability at the same time. Thus, this paper conducted an empirical study on companies using RPA to determine which factors affect the intention to use the services provided by RPA systems. As system characteristics, exogenous variables were selected as information quality, system quality, and service quality of the information system success model. The endogenous variables were selected as the system acceptance factors for the performance and effort expectancy of the integrated technology acceptance model, and the perceived economic values and functional values were additionally selected. For the purpose of this study, a structured questionnaire was used for empirical analysis and the proposed hypothesis was verified through the path analysis of structural equations. As a result of the study, there was no significant relationship between service quality and effort expectancy, between service quality and economic value, and it was verified that the relationship between other factors was positively significant.

• Structural Engineering and Mechanics
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• v.70 no.6
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• pp.683-702
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• 2019

The present study aims to analyze the magneto-electro-elastic (MEE) vibration of a functionally graded carbon nanotubes reinforced composites (FG-CNTRC) cylindrical shell. Electro-magnetic loads are applied to the structure and it is located on an elastic foundation which is simulated by visco-Pasternak type. The properties of the nano-composite shell are assumed to be varied by temperature changes. The third-order shear deformation shells theory is used to describe the displacement components and Hamilton's principle is employed to derive the motion differential equations. To obtain the results, Navier's method is used as an analytical solution for simply supported boundary condition and the effect of different parameters such as temperature variations, orientation angle, volume fraction of CNTs, different types of elastic foundation and other prominent parameters on the natural frequencies of the structure are considered and discussed in details. Design more functional structures subjected to multi-physical fields is of applications of this study results.

• Smart Structures and Systems
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• v.30 no.3
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• pp.245-253
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• 2022

A two-layer beam consisting of an elastoplastic layer and a functional layer made of shape memory alloy (SMA) TiNi is considered. Constitutive relations for SMA are set by a microstructural model capable to calculate strain increment produced by arbitrary increments of stress and temperature. This model exploits the approximation of small strains. The equations to calculate the variations of the strain and the internal variables are based on the experimentally registered temperature kinetics of the martensitic transformations with an account of the crystallographic features of the transformation and the laws of equilibrium thermodynamics. Stress and phase distributions over the beam height are calculated by steps, by solving on each step the boundary-value problem for given increments of the bending moment (or curvature) and the tensile force (or relative elongation). Simplifying Bernoulli's hypotheses are applied. The temperature is considered homogeneous. The first stage of the numerical experiment is modeling of preliminary deformation of the beam by bending or stretching at a temperature corresponding to the martensitic state of the SMA layer. The second stage simulates heating and subsequent cooling across the temperature interval of the martensitic transformation. The curvature variation depends both on the total thickness of the beam and on the ratio of the layer's thicknesses.

• Steel and Composite Structures
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• v.42 no.5
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• pp.591-598
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• 2022

The article deals with the possibilities of vibration stimulation. Based on the stability analysis, a multi-scale approach with a modified whole-building model is implemented. The motion equation is configured for a controlled bridge with a MDOF (multiple dynamic degrees of freedom) Tuned Mass Damper (M-TMD) system, and a combination of welding, excitation, and control effects is used with its advanced packages and commercial software submodel. Because the design of high-performance and efficient structural systems has been of interest to practical engineers, systematic methods of structural and functional synthesis of control systems must be used in many applications. The smart method can be stabilized by properly controlling the high frequency injection limits. The simulation results illustrate that the multiple modeling method used is consistent with the accuracy and high computational efficiency. The M-TMD system, even with moderate reductions in critical pressure, can significantly suppress overall feedback on an unregulated design.

• Steel and Composite Structures
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• v.45 no.3
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• pp.305-330
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• 2022

This article aims to investigate the static deflection and stress analysis of bi-directional functionally graded porous plate (BDFGPP) modeled by unified higher order kinematic theories to include the shear stress effects, which not be considered before. Different shear functions are described according to higher order models that satisfy the zero-shear influence at the top and bottom surfaces, and hence refrain from the need of shear correction factor. The material properties are graded through two spatial directions (i.e., thickness and length directions) according to the power law distribution. The porosities and voids inside the material constituent are described by different cosine functions. Hamilton's principle is implemented to derive the governing equilibrium equation of bi-directional FG porous plate structures. An efficient numerical differential integral quadrature method (DIQM) is exploited to solve the coupled variable coefficients partial differential equations of equilibrium. Problem validation and verification have been proven with previous prestigious work. Numerical results are illustrated to present the significant impacts of kinematic shear relations, gradation indices through thickness and length, porosity type, and boundary conditions on the static deflection and stress distribution of BDFGP plate. The proposed model is efficient in design and analysis of many applications used in nuclear, mechanical, aerospace, naval, dental, and medical fields.

• Steel and Composite Structures
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• v.50 no.1
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• pp.15-24
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• 2024

This research presents dynamical reaction investigation of pore-dependent and nano-thickness beams having functional gradation (FG) constituents exposed to a movable particle. The nano-thickness beam formulation has been appointed with the benefits of refined high orders beam paradigm and nonlocal strain gradient theory (NSGT) comprising two scale moduli entitled nonlocality and strains gradient modulus. The graded pore-dependent constituents have been designed through pore factor based power-law relations comprising pore volumes pursuant to even or uneven pore scattering. Therewith, variable scale modulus has been thought-out until process a more accurate designing of scale effects on graded nano-thickness beams. The motion equations have been appointed to be solved via Ritz method with the benefits of Chebyshev polynomials in cosine form. Also, Laplace transform techniques help Ritz-Chebyshev method to obtain the dynamical response in time domain. All factors such as particle speed, pores and variable scale modulus affect the dynamical response.

• Journal of Korean Academy of Nursing
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• v.50 no.1
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• pp.66-80
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• 2020

Purpose: This study aims to examine the effects of nursing interventions based on the Extended Theory of Planned Behavior (ETPB) regarding self-efficacy for exercise (SEE), physical activity (PA), physical function (PF), and quality of life (QOL) in patients with lung cancer who have undergone pulmonary resection. Methods: This quasi-experimental study was conducted between July 2015 and June 2018 in two university-affiliated hospitals. The intervention included pre-operative patient education, goal setting (action and coping planning), and feedback (behavior intention and perceived behavioral control). The intervention group (IG) (n=51) received nursing interventions from the day before surgery to 12 months after lung resection, while the comparison group (CG) (n=36) received usual care. SEE, PA, PF (dyspnea, functional status, and 6-minute walking distance [6MWD]), and QOL were measured before surgery and at one, three, six, and 12 months after surgery. Data were analyzed using the χ² test, Fisher's exact test, Mann-Whitney U test, t-test, and generalized estimation equations (GEE). Results: There were significant differences between the two groups regarding SEE (χ²=13.53, p=.009), PA (χ²=9.51, p=.049), functional status (χ²=10.55, p=.032), and 6MWD (χ²=15.62, p=.004). Although there were no time or group effects, the QOL mental component (Z=-2.78, p=.005) of the IG was higher than that of the CG one month after surgery. Interventions did not affect dyspnea or the QOL physical component. Conclusion: The intervention of this study was effective in improving SEE, PA, functional status, and 6MWD of lung cancer patients after lung resection. Further extended investigations that utilize ETPB are warranted to confirm these results.