• Title/Summary/Keyword: MD method

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Investigations on the Chain Conformation of Weakly Charged Polyelectrolyte in Solvents by Using Efficient Hybrid Molecular Simulations

  • Chun, Myung-Suk;Lee, Hyun-Su
    • Macromolecular Research
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    • v.10 no.6
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    • pp.297-303
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    • 2002
  • We have investigated the microstructural properties of a weakly charged polyelectrolyte modeled with both Hookean spring and Debye-Huckel potential, by employing a novel hybrid scheme of molecular dynamics (MD) and Monte Carlo (MC) simulations. Although the off-lattice pivot step facilitates the earlier computations stage, it gives rise to oscillations and hinders the stable equilibrium state. In order to overcome this problem, we adopt the MC off-lattice pivot step in early stage only, and then switch the computation to a pure MD step. The result shows that the computational speed-up compared to the previous method is entirely above 10 to 50, without loss of the accuracy. We examined the conformations of polyelectrolyte in solvents in terms of the end-to-end distance, radius of gyration, and structure factor with variations of the screening effects of solvent and the monomer charges. The emphasis can favorably be given on the elongation behavior of a polyelectrolyte chain, with observing the simultaneous snapshots.

Wakes of two inline cylinders at a low Reynolds number

  • Zafar, Farhan;Alam, Md. Mahbub;Muhammad, Zaka;Islam, Md.
    • Wind and Structures
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    • v.29 no.1
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    • pp.55-64
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    • 2019
  • The effect of vortex impingement on the fluid dynamics around a cylinder submerged in the wake of another of different diameters is numerically investigated at a Reynolds number Re = 200. While the diameter (D) of the downstream cylinder is fixed, impinging vortices are produced from the upstream cylinder diameter (d) varied as d/D = 0.24, 0.4, 0.6, 0.8 and 1.0, with a spacing ratio L=5.5d, where L is the distance between the center of the upstream cylinder to the front stagnation point of the downstream cylinder. Two-dimensional simulations are carried out using the finite volume method. Fluid forces acting on the two cylinders are correlated with impinging vortices, vortex shedding, and wake structure. Different facets of wake formation, wake structure, and flow separation and their connections to fluid forces are discussed.

On the Study of Rotation Invariant Object Recognition (회전불변 객체 인식에 관한 연구)

  • Alom, Md. Zahangir;Lee, Hyo Jong
    • Proceedings of the Korea Information Processing Society Conference
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    • 2010.04a
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    • pp.405-408
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    • 2010
  • This paper presents a new feature extraction technique, correlation coefficient and Manhattan distance (MD) based method for recognition of rotated object in an image. This paper also represented a new concept of intensity invariant. We extracted global features of an image and converts a large size image into a one-dimensional vector called circular feature vector's (CFVs). An especial advantage of the proposed technique is that the extracted features are same even if original image is rotated with rotation angles 1 to 360 or rotated. The proposed technique is based on fuzzy sets and finally we have recognized the object by using histogram matching, correlation coefficient and manhattan distance of the objects. The proposed approach is very easy in implementation and it has implemented in Matlab7 on Windows XP. The experimental results have demonstrated that the proposed approach performs successfully on a variety of small as well as large scale rotated images.

Human Gender and Motion Analysis with Ellipsoid and Logistic Regression Method

  • Ansari, Md Israfil;Shim, Jaechang
    • Journal of Multimedia Information System
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    • v.3 no.2
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    • pp.9-12
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    • 2016
  • This paper is concerned with the effective and efficient identification of the gender and motion of humans. Tracking this nonverbal behavior is useful for providing clues about the interaction of different types of people and their exact motion. This system can also be useful for security in different places or for monitoring patients in hospital and many more applications. Here we describe a novel method of determining identity using machine learning with Microsoft Kinect. This method minimizes the fitting or overlapping error between an ellipsoid based skeleton.

Directors' Remuneration and Performance: Evidence from the Textile Sector of Bangladesh

  • AKTER, Sharmin;ALI, Md. Hossain;ABEDIN, Md. Thasinul;HOSSAIN, Balal
    • The Journal of Asian Finance, Economics and Business
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    • v.7 no.6
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    • pp.265-275
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    • 2020
  • This study investigates the impact of board incentives as proxied by directors' remuneration on the financial performance of listed textile companies in Bangladesh. Using Generalized Method of Moments (GMM) and data pertaining to listed textile companies of Dhaka Stock Exchange (DSE) during the period from 2011 to 2017 (resulting in a total of 140 firm-year observations), we have estimated the firm performance equation involving directors' remuneration and board independence as the independent variables and some other control variables like firm age, size, leverage, and operating efficiency. The results reveal that there is a negative association between board remuneration and firm performance. In addition, this study finds no significant relationship between board independence and firm performance of the sample firms. Our findings suggest that higher pay to the board does not stimulate higher firm performance and, in turn, results in shareholders getting nothing in return from this and, hence, is a matter of great concern for them. Moreover, our results indirectly indicate that currently directors' remuneration in Bangladesh is not aligned with the firm performance, which has been emphasized in extant corporate governance literature. Besides, this paper further raises questions about the effectiveness of independent directors in the boards of textile firms in Bangladesh.

Content-Based Image Retrieval Using Combined Color and Texture Features Extracted by Multi-resolution Multi-direction Filtering

  • Bu, Hee-Hyung;Kim, Nam-Chul;Moon, Chae-Joo;Kim, Jong-Hwa
    • Journal of Information Processing Systems
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    • v.13 no.3
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    • pp.464-475
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    • 2017
  • In this paper, we present a new texture image retrieval method which combines color and texture features extracted from images by a set of multi-resolution multi-direction (MRMD) filters. The MRMD filter set chosen is simple and can be separable to low and high frequency information, and provides efficient multi-resolution and multi-direction analysis. The color space used is HSV color space separable to hue, saturation, and value components, which are easily analyzed as showing characteristics similar to the human visual system. This experiment is conducted by comparing precision vs. recall of retrieval and feature vector dimensions. Images for experiments include Corel DB and VisTex DB; Corel_MR DB and VisTex_MR DB, which are transformed from the aforementioned two DBs to have multi-resolution images; and Corel_MD DB and VisTex_MD DB, transformed from the two DBs to have multi-direction images. According to the experimental results, the proposed method improves upon the existing methods in aspects of precision and recall of retrieval, and also reduces feature vector dimensions.

Implementation and application of interactive Web3D Contents (상호대화식 Web3D 컨텐츠의 구현 및 응용)

  • Kim Hyeock-Jin
    • Journal of the Korea Computer Industry Society
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    • v.6 no.2
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    • pp.317-324
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    • 2005
  • The web technology related with internet at present is changed into the 3D interactive environment form one sided communication of simple contents. In this paper, a high quality interactive Web3D Contents was realized by using the TurnTool, a authoring tool. This paper suggests the method that can easily and quickly realize the Web3D manual which is more realistic md capable of interaction with user. This method makes up for the weak points in the existing Web3D tool system. Therefore we can realize the contents that able to easily interact through minimizing file size md omitting procedure of additional EAI(External Authoring Interface) by using the Java Script.

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Multiscale approach to predict the effective elastic behavior of nanoparticle-reinforced polymer composites

  • Kim, B.R.;Pyo, S.H.;Lemaire, G.;Lee, H.K.
    • Interaction and multiscale mechanics
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    • v.4 no.3
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    • pp.173-185
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    • 2011
  • A multiscale modeling scheme that addresses the influence of the nanoparticle size in nanocomposites consisting of nano-sized spherical particles embedded in a polymer matrix is presented. A micromechanics-based constitutive model for nanoparticle-reinforced polymer composites is derived by incorporating the Eshelby tensor considering the interface effects (Duan et al. 2005a) into the ensemble-volume average method (Ju and Chen 1994). A numerical investigation is carried out to validate the proposed micromechanics-based constitutive model, and a parametric study on the interface moduli is conducted to investigate the effect of interface moduli on the overall behavior of the composites. In addition, molecular dynamics (MD) simulations are performed to determine the mechanical properties of the nanoparticles and polymer. Finally, the overall elastic moduli of the nanoparticle-reinforced polymer composites are estimated using the proposed multiscale approach combining the ensemble-volume average method and the MD simulation. The predictive capability of the proposed multiscale approach has been demonstrated through the multiscale numerical simulations.

A Combined Pharmacophore-Based Virtual Screening, Docking Study and Molecular Dynamics (MD) Simulation Approach to Identify Inhibitors with Novel Scaffolds for Myeloid cell leukemia (Mcl-1)

  • Bao, Guang-Kai;Zhou, Lu;Wang, Tai-Jin;He, Lu-Fen;Liu, Tao
    • Bulletin of the Korean Chemical Society
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    • v.35 no.7
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    • pp.2097-2108
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    • 2014
  • Chemical feature based quantitative pharmacophore models were generated using the HypoGen module implemented in DS2.5. The best hypothesis, Hypo1, which was characterized by the highest correlation coefficient (0.96), the highest cost difference (61.60) and the lowest RMSD (0.74), consisted of one hydrogen bond acceptor, one hydrogen bond donor, one hydrophobic and one ring aromatic. The reliability of Hypo1 was validated on the basis of cost analysis, test set, Fischer's randomization method and GH test method. The validated Hypo1 was used as a 3D search query to identify novel inhibitors. The screened molecules were further refined by employing ADMET, docking studies and visual inspection. Three compounds with novel scaffolds were selected as the most promising candidates for the designing of Mcl-1 antagonists. Finally, a 10 ns molecular dynamics simulation was carried out on the complex of receptor and the retrieved ligand to demonstrate that the binding mode was stable during the MD simulation.

ROI Study for Diffusion Tensor Image with Partial Volume Effect (부분용적효과를 고려한 확산텐서영상에 대한 관심영역 분석 연구)

  • Choi, Woohyuk;Yoon, Uicheul
    • Journal of Biomedical Engineering Research
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    • v.37 no.2
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    • pp.84-89
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    • 2016
  • In this study, we proposed ameliorated method for region of interest (ROI) study to improve its accuracy using partial volume effect (PVE). PVE which arose in volumetric images when more than one tissue type occur in a voxel, could be used to reduce an amount of gray matter and cerebrospinal fluid within ROI of diffusion tensor image (DTI). In order to define ROIs, individual b0 image was spatially aligned to the JHU DTI-based atlas using linear and non-linear registration (http://cmrm.med.jhmi.edu/). Fractional anisotropy (FA) and mean diffusivity (MD) maps were estimated by fitting diffusion tensor model to each image voxel, and their mean values were computed within each ROI with PVE threshold. Participants of this study consisted of 20 healthy controls, 27 Alzheimer's disease and 27 normal-pressure hydrocephalus patients. The result showed that the mean FA and MD of each ROI were increased and decreased respectively, but standard deviation was significantly decreased when PVE was applied. In conclusion, the proposed method suggested that PVE was indispensable to improve an accuracy of DTI ROI study.