• Title/Summary/Keyword: Two-component method

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Two-Component Spin-orbit Effective Core Potential Calculations with an All-electron Relativistic Program DIRAC

  • Park, Young-Choon;Lim, Ivan S.;Lee, Yoon-Sup
    • Bulletin of the Korean Chemical Society
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    • v.33 no.3
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    • pp.803-808
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    • 2012
  • We have implemented two-component spin-orbit relativistic effective core potential (SOREP) methods in an all-electron relativistic program DIRAC. This extends the capacity of the two-component SOREP method to many ground and excited state calculations in a single program. As the test cases, geometries and energies of the small halogen molecules were studied. Several two-component methods are compared by using spin-orbit and scalar relativistic effective core potentials. For the $I_2$ molecule, excitation energies of low-lying excited states agree well with those from corresponding all-electron methods. Efficiencies in SOREP calculations enhanced by using symmetries are also discussed briefly.

Studies on the One Bath Two Step Dyeing of Wool/Cationized Cotton Blends with Acid Dye/Reactive Dye (양모/카티온화 면 혼방품의 산성염료/반응성염료에 의한 1욕2단 염색에 관한 연구)

  • 성우경;이춘길;권오경
    • Textile Coloration and Finishing
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    • v.11 no.2
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    • pp.46-54
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    • 1999
  • The conventional dyeing of wool/cotton blends involves a two bath two step method, i.e., after dyeing of the wool component with acid dyes in an acidic dyebath at $100^\circ{C}$, the dyeing of the cotton component with reactive dyes in an alkaline dyebath is performed. In order to overcome the disadvantage of the conventional two bath two step dyeing method of wool/cotton blends, it had prompted significant effort to the development of the one bath dyeing method which can accomplish savings in time, energy and water usage. To improve dyeing property of wool/cotton blends, cotton component was pretreated with cationizing agent containing chlorohydrine group in aqueous solution of sodium hydroxide. This study was carried out to investigate dyeing possibilities of wool/cationized cotton blends with acid dye/reactive dye by one bath two step method.

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Comparison of Component Mode Synthesis and Substructure Synthesis Methods (구분모드합성법과 부분구조합성법의 비교)

  • Kwak, Moon-K.;Na, Sung-Soo;Bae, Byung-Chan
    • Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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    • 2006.05a
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    • pp.1348-1353
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    • 2006
  • This paper is concerned with the comparison of component mode synthesis md substructure synthesis methods. Those two methods were developed for the dynamic analysis of complex structure. However, the difference between two methods in solving the dynamic problem has never been explained. In this paper, a structure consisting of two beams is considered for the application of two methods. The dynamic formulation shows the characteristics and differences of two methods. The procedure for choosing proper substructure modes in each method is explained in detail. In addition, the advantage of the substructure synthesis method is discussed based on the numerical example. Numerical examples show how two methods are applied to the addressed problem.

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Grouping Method of Loads to Verify the Aggregation of Component Load Models (개별부하 축약을 검증하기 위한 집단부하 구성방법에 관한 연구)

  • Ji, Pyeong-Shik;Lee, Jong-Pil;Lim, Jae-Yoon
    • The Transactions of the Korean Institute of Electrical Engineers A
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    • v.50 no.4
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    • pp.172-179
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    • 2001
  • A component based method out of load modeling is to aggregate component load model according to the composition rate of each component load at load bus based on the circuit theory. But the most of component loads respond complex nonlinear characteristics respect to voltage and frequency variation due to the control techniques and semiconductor elements applied to component load. It needs to verify this approach through actual experiment of the aggregation of component load even if it can be down. To identify this aggregation method well known, this paper is proposed the classifying method of component load characteristics for component loads to group by quantitative analysis. The component load characteristics were divided into several types by KSOM (kohonen self organizing map), which can classify multi-dimension vector, component load pattern, into two-dimension vector. Some ambiguous cases happened from KSOM were classified by the proposed closing degree.

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Numerical Investigations in Choosing the Number of Principal Components in Principal Component Regression - CASE II

  • Shin, Jae-Kyoung;Moon, Sung-Ho
    • Journal of the Korean Data and Information Science Society
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    • v.10 no.1
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    • pp.163-172
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    • 1999
  • We propose a cross-validatory method for the choice of the number of principal components in principal component regression based on the magnitudes of correlations with y. There are two different manners in choosing principal components, one is the order of eigenvalues(Shin and Moon, 1997) and the other is that of correlations with y. We apply our method to various data sets and compare results of those two methods.

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Classification for intraclass correlation pattern by principal component analysis

  • Chung, Hie-Choon;Han, Chien-Pai
    • Journal of the Korean Data and Information Science Society
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    • v.21 no.3
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    • pp.589-595
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    • 2010
  • In discriminant analysis, we consider an intraclass correlation pattern by principal component analysis. We assume that the two populations are equally likely and the costs of misclassification are equal. In this situation, we consider two procedures, i.e., the test and proportion procedures, for selecting the principal components in classifica-tion. We compare the regular classification method and the proposed two procedures. We consider two methods for estimating error rate, i.e., the leave-one-out method and the bootstrap method.

KPACK: Relativistic Two-component Ab Initio Electronic Structure Program Package

  • Kim, Inkoo;Lee, Yoon Sup
    • Bulletin of the Korean Chemical Society
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    • v.34 no.1
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    • pp.179-187
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    • 2013
  • We describe newly developed software named KPACK for relativistic electronic structure computation of molecules containing heavy elements that enables the two-component ab initio calculations in Kramers restricted and unrestricted formalisms in the framework of the relativistic effective core potential (RECP). The spin-orbit coupling as relativistic effect enters into the calculation at the Hartree-Fock (HF) stage and hence, is treated in a variational manner to generate two-component molecular spinors as one-electron wavefunctions for use in the correlated methods. As correlated methods, KPACK currently provides the two-component second-order M${\o}$ller-Plesset perturbation theory (MP2), configuration interaction (CI) and complete-active-space self-consistent field (CASSCF) methods. Test calculations were performed for the ground states of group-14 elements, for which the spin-orbit coupling greatly influences the determination of term symbols. A categorization of three procedures is suggested for the two-component methods on the basis of spin-orbit coupling manifested in the HF level.

Mechanical behavior investigation of steel connections using a modified component method

  • Chen, Shizhe;Pan, Jianrong;Yuan, Hui;Xie, Zhuangning;Wang, Zhan;Dong, Xian
    • Steel and Composite Structures
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    • v.25 no.1
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    • pp.117-126
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    • 2017
  • The component method is an analytical approach for investigating the moment-rotation relationship of steel connections. In this study, the component method was improved from two aspects: (i) load analysis of mechanical model; and (ii) combination of spring elements. An optimized component method with more reasonable component models, spring arrangement position, and boundary conditions was developed using finite element analysis. An experimental testing program in two major-axis and two minor-axis connections under symmetrically loading was carried out to verify this method. The initial rotational stiffness obtained from the optimized component method was consistent with the experimental results. It can be concluded that (i) The coupling stiffness between column and beam flanges significantly affects the effective height of the tensile-column web. (ii) The mechanical properties of the bending components were obtained using an equivalent t-stub model considering the bending capacity of bolts. (iii) Using the optimized mechanical components, the initial rotational stiffness was accurately calculated using the spring system. (iv) The characteristics of moment-rotation relationship for beam to column connections were effectively expressed by the SPRING element analysis model using ABAQUS. The calculations are simpler, and the results are accurate.

Component Identification using Domain Analysis based on Clustering (클러스터링에 기반 도메인 분석을 통한 컴포넌트 식별)

  • Haeng-Kon Kim;Jeon-Geun Kang
    • Journal of the Korea Computer Industry Society
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    • v.4 no.4
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    • pp.479-490
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    • 2003
  • CBD is a software development approach based on reusable component and supports easy modification and evolution of software. For the success of this approach, a component must be developed with high cohesion and low coupling. In this paper, we propose the two types of clustering analysis technique based on affinity between use-cases and classes and propose component identification method applying to this technique. We also propose component reference model and CBD methodology framework and perform a ease study to demonstrate how the affinity-based clustering technique is used in component identification method. Component identification method contains three tasks such as component extraction, component specification and component architecting. This method uses object-oriented concept for identifying component, which improves traceability from analysis to implementation and can automatically extract component. This method reflects the low coupling-high cohesion principle for good modularization about reusable component.

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A Study on the One Bath Two Step Dyeing of Wool/Cationized Cotton Blends With Acid Dye/Direct Dye (양모/카티온화 면 혼방품의 산성염료/직접염료에 의한 1욕2단 염색에 관한 연구)

  • Sung, Woo-Kyung;Lee, Choon-Gil
    • Fashion & Textile Research Journal
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    • v.3 no.2
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    • pp.168-173
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    • 2001
  • In order to overcome the disadvantage of the conventional two bath dyeing method of wool/cotton blends, it had prompted significant effort to the development of the one bath dyeing method which can accomplish savings in energy, water usage and time. To improve the dyeability of cotton toward direct dyes in a non-electrolytic and acidic dyebath, cotton component was pretreated with cationizing agent containing chlorohydrine group in aqueous solution of sodium hydroxide. This study was carried out to investigate almost equal color strength between wool component and cationized cotton component when wool/cationized cotton blends was dyed with acid dye/direct dye by the one bath two step method in a non-electrolytic and acidic dyebath.

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