• Advances in nano research
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• v.7 no.3
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• pp.209-221
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• 2019

Graphene, with impressive electronic properties, have high potential in the microelectronic field. However, graphene itself is a zero bandgap material which is not suitable for digital logic gates and its application. Thus, much focus is on graphene nanoribbons (GNRs) that are narrow strips of graphene. During GNRs fabrication process, the occurrence of defects that ultimately change electronic properties of graphene is difficult to avoid. The modelling of GNRs with defects is crucial to study the non-idealities effects. In this work, nearest-neighbor tight-binding (TB) model for GNRs is presented with three main simplifying assumptions. They are utilization of basis function, Hamiltonian operator discretization and plane wave approximation. Two major edges of GNRs, armchair-edged GNRs (AGNRs) and zigzag-edged GNRs (ZGNRs) are explored. With single vacancy (SV) defects, the components within the Hamiltonian operator are transformed due to the disappearance of tight-binding energies around the missing carbon atoms in GNRs. The size of the lattices namely width and length are varied and studied. Non-equilibrium Green's function (NEGF) formalism is employed to obtain the electronics structure namely band structure and density of states (DOS) and all simulation is implemented in MATLAB. The band structure and DOS plot are then compared between pristine and defected GNRs under varying length and width of GNRs. It is revealed that there are clear distinctions between band structure, numerical DOS and Green's function DOS of pristine and defective GNRs.

• Bulletin of the Korean Chemical Society
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• v.28 no.9
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• pp.1539-1544
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• 2007

1-Phenyl-3-p-fluorophenyl-5-p-chlorophenyl-2-pyrazoline has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray single crystal diffraction. Density functional calculations show that B3LYP/6-311G** method can reproduce the structural parameters. The electronic absorption spectra have been predicted based on the optimized structure by using 6-311G** and 6-311++G** basis sets and compared with the experimental values. The results indicate that TD-DFT method can only predict the electronic absorption spectra of the system studied here approximately. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between ,C0p,m,S0m,H0m and temperature.

• Structural Engineering and Mechanics
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• v.57 no.6
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• pp.1015-1038
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• 2016

In the current research an advanced criterion with non-associated flow rule (non-AFR) for depicting the behavior of anisotropic sheet metals is presented to consider the strength differential effects (SDEs) for these materials. Owing to the fact that Lou et al. (2013) yield function is dependent on structure of an anisotropic material (BCC, FCC and HCP), an advanced yield function with inspiring of Yoon et al. (2014) yield function is proposed which is dependent upon anisotropic structures. Furthermore, to compute Lankford coefficients, a new pressure sensitive plastic potential function which would be dependent to anisotropic structure is presented and coupled with the proposed yield function with employing a non-AFR in a novel criterion which is called here 'dvanced criterion'. Totally eighteen experimental data are required to calibrate the criterion contained of directional tensile and compressive yield stresses for the yield function and directional Lankford coefficients for the plastic potential function. To verify the criterion, three anisotropic sheet metals with different structures are taken as case studies such as Al 2008-T4 (a BCC material), Al 2090-T3 (a FCC material) and AZ31 (a HCP material).

• Proceedings of the Korean Society for Bioinformatics Conference
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• 2000.11a
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• pp.17-20
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• 2000

Structural genomics aims to provide a good experimental structure or computational model of every tractable protein in a complete genome. Underlying this goal is the immense value of protein structure, especially in permitting recognition of distant evolutionary relationships for proteins whose sequence analysis has failed to find any significant homolog. A considerable fraction of the genes in all sequenced genomes have no known function, and structure determination provides a direct means of revealing homology that may be used to infer their putative molecular function. The solved structures will be similarly useful for elucidating the biochemical or biophysical role of proteins that have been previously ascribed only phenotypic functions. More generally, knowledge of an increasingly complete repertoire of protein structures will aid structure prediction methods, improve understanding of protein structure, and ultimately lend insight into molecular interactions and pathways. We use computational methods to select families whose structures cannot be predicted and which are likely to be amenable to experimental characterization. Methods to be employed included modern sequence analysis and clustering algorithms. A critical component is consultation of the presage database for structural genomics, which records the community's experimental work underway and computational predictions. The protein families are ranked according to several criteria including taxonomic diversity and known functional information. Individual proteins, often homologs from hyperthermophiles, are selected from these families as targets for structure determination. The solved structures are examined for structural similarity to other proteins of known structure. Homologous proteins in sequence databases are computationally modeled, to provide a resource of protein structure models complementing the experimentally solved protein structures.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.21 no.11
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• pp.1950-1956
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• 1997

An engineering goal in vibration and noise professionals is to develope quiet machines at the preliminary design stage, and various numerical techniques such as FEM, SEA or BEM are one of the schemes toward the goal. In this paper, the research has been focused on the sensitivity effect of mesh sizes for FEM application so that the optimum size of the mesh that leads to engineering solution within acceptable computing time could be generated. In order to evaluate the mesh size effect, three important parameters have been examined : natural frequencies, number of modes and driving point mobility. First, several lower modes including the fundamental frequency of a 2-D plate structure have been calculated as mesh size changes. Since theoretical values of natural frequencies for a simple structure are known, the deviation between the numerical and theoretical values is obtained as a function of mesh size. The result shows that the error is no longer decreased if the mesh size becomes a quarter wavelength or smaller than that. Second, the mesh size effect is also investigated for the number of modes. For the frequency band up to 1.4 kHz, the structure should have 38 modes in total. As the mesh size reaches to the quarter wavelength, the total count in modes approaches to the same values. Third, a mobility function at the driving point is compared between SEA and FEM result. In SEA application, the mobility function is determined by the modal density and the mass of the structure. It is independent of excitation frequencies. When the mobility function is calculated from a wavelength to one-tenth of it, the mobility becomes constant if the mesh becomes a quarter wavelength or smaller. We can conclude that dynamic parameters, such as eigenvalues, mode count, and mobility function, can be correctly estimated, while saving the computing burden, if a quarter wavelength (.lambda./4) mesh is used. Therefore, (.lambda./4) mesh is recommended in structural vibration analysis.

• Journal of Mechanical Science and Technology
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• v.16 no.1
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• pp.75-82
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• 2002

A simultaneous optimal design problem of structural and control systems is discussed by taking a 3-D truss structure as an object. We use descriptor forms for a controlled object and a generalized plant because the structural parameters appear naturally in these forms. We consider a minimum weight design problem for structural system and disturbance suppression problem for the control system. The structural objective function is the structural weight and the control objective function is $H_{\infty}$ norm from the disturbance input to the controlled output in the closed-loop system. The design variables are cross sectional areas of the truss members. The conditions for the existence of controller are expressed in terms of linear matrix inequalities (LMI) By minimizing the linear sum of the normalized structural objective function and control objective function, it is possible to make optimal design by which the balance of the structural weight and the control performance is taken. We showed in this paper the validity of simultaneous optimal design of structural and control systems.

• Journal of the Institute of Electronics Engineers of Korea CI
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• v.39 no.6
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• pp.47-52
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• 2002

The wavelet functions are originated from scaling functions and can be used as activation function in the hidden node of the network by deciding two parameters such as scale and center. In this paper, we would like to propose the mixed structure. When we compose the WNN using wavelet functions, we propose to set a single scale function as a node function together. The properties of the proposed structure is that while one scale function approximates the target function roughly, the other wavelet functions approximate it finely. During the determination of the parameters, the wavelet functions can be determined by the global search algorithm such as genetic algorithm to be suitable for the suggested problem. Finally, we use the back-propagation algorithm in the learning of the weights.

• Journal of the Korean Society for Precision Engineering
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• v.17 no.8
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• pp.140-150
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• 2000

In this paper module of a product is determined by the characteristics of a product itself and process. To analyze the characteristics of the product information on subassemblies and parts can be obtained by analyzing the existing product. Based on the analysis of characteristics of product structure and function determination rules of a module degree could be proposed for assembly and disassembly process and product structure and function. By applying these rules of a module, module of a product is classified into full half and non-module depending on the module degree of a product. As a result of module degree analysis simpler assembly process and reduced structural interference can be realized. For the product function simpler updated and multi function can be also achieved.

• Journal of Korean Association for Spatial Structures
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• v.23 no.4
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• pp.97-105
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• 2023

The membrane structure should maintain the membrane materials in tension for structural stability guaranty. The anchoring part in the membrane structure is an important part. It has the function to introduce tension into membrane materials and function to transmit stress which membrane materials receives to boundary structure such as steel frames. In this paper, it grasps anchoring system of the anchoring part in the membrane structure concerning the fracturing characteristic condition of membrane structure, and the influence which is caused to yield it designates the stress state when breaking the membrane structure which includes the anchoring part and that stress transition mechanism is elucidated as purpose. This paper follows to previous paper, does 1 axial tensile test concerning the bolting part specimen, grasp of fracturing progress of the bolting part and the edge rope and hardness of the rubber, does the appraisal in addition with the difference of bolt tightening torque. As a result, the influence which the bolt anchoring exerts on the fracturing characteristics of the membrane material in the membrane structure anchoring part is examined.

• Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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• 2007.05a
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• pp.501-506
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• 2007

Structure-borne noise is the interior noise that results from the low frequency vibrational energy transmitted through those body and joint parts. The relation between the excitation of powertrain and resultant interior sound must be analyzed in order to identify and predict the structure borne noise. The method of acoustic source excitation is preferred than the method of mechanical force excitation to measure the NTF(noise transfer function). Because acoustical method is more convenient and reliable. In this paper, to analysis and identify vehicle interior noise by powertrain is performed, and the vibro-acoustic transfer function is extracted from experimental measurement. These are important step of TPA(transfer path analysis) to identify effect of interior noise resulted from powertrain running excitation.