• Title/Summary/Keyword: theory of generation

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Computational Study on OH and Cl Initiated Oxidation of 2,2,2-Trifluoroethyl Trifluoroacetate (CF3C(O)OCH2CF3)

  • Singh, Hari Ji;Tiwari, Laxmi;Rao, Pradeep Kumar
    • Bulletin of the Korean Chemical Society
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    • v.35 no.5
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    • pp.1385-1390
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    • 2014
  • Hydrofluoroethers (HFEs) are developed as a suitable for the replacement of environmentally hazardous CFCs and are termed as third generation refrigerants. One of the major products of decomposition of HFEs in the atmosphere is a fluoroester. The present study relates to the OH and Cl initiated oxidation of $CF_3C(O)OCH_2CF_3$ formed from the oxidation of HFE-356mff. The latter is used as a solvent in the industry and reaches the atmosphere without any degradation. Kinetics of the titled molecule has been studied at MPWB1K/6-31+G(d,p) level of theory. Single point energy calculations have been made at G2(MP2) level of theory and barrier heights are determined. The rate constants are calculated using canonical transition state theory. Tunnelling correction are made using one-dimensional Eckart potential barrier. The rate constant calculated during the present study are compared with the experimental values determined using relative rate method and FTIR detection technique.

취성재료의 충격파괴에 관한 연구 I

  • 양인영;정태권;정낙규;이상호
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.14 no.2
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    • pp.298-309
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    • 1990
  • In this paper, a new method is suggested to analyze impulsive stresses at loading poing of concentrated impact load under certain impact conditions determined by impact velocity, stiffness of plate and mass of impact body, etc. The impulsive stresses are analyzed by using the three dimensional dynamic theory of elasticity so as to analytically clarify the generation phenomenon of cone crack at the impact fracture of fragile materials (to be discussed if the second paper). The Lagrange's plate theory and Hertz's law of contact theory are used for the analysis of impact load, and the approximate equation of impact load is suggested to analyze the impulsive stresses at the impact point to decide the ranage of impact load factor. When impact load factors are over and under 0.263, approximate equations are suggested to be F(t)=Aexp(-Bt)sinCt and F(t)=Aexp(-bt) {1-exp(Ct)} respectively. Also, the inverse Laplace transformation is done by using the F.F.T.(fast fourier transform) algorithm. And in order to clarity the validity of stress analysis method, experiments on strain fluctuation at impact point are performed on a supported square glass plate. Finally, these analytical results are shown to be in close agreement with experimental results.

Search for Adsorption Coordination of SiH4 or Al(CH3)3 on Si (001) Surface Using Genetic Algorithm and Density Functional theory (유전 알고리즘과 밀도 범함수 이론을 이용한 Si (001) 표면에서의 SiH4 또는 Al(CH3)3 전구체의 흡착 배위 탐색)

  • Kim, Hyun-Kyu;Kim, Jason;Kim, Yeong-Cheol
    • Journal of the Semiconductor & Display Technology
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    • v.20 no.4
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    • pp.16-22
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    • 2021
  • We search for an appropriate initial adsorption coordination of precursor on surface by using genetic algorithm (GA) and density functional theory. SiH4 and Al(CH3)3 as precursor, and OH-terminated Si (001) as surface are used for this study. Selection, crossover, and mutation as hyperparameters of GA are applied to search for the adsorption coordination of the precursors on the surface as a function of generation. Bond distances between precursors and the surface are used to explain the adsorption behavior of the precursors.

An Efficient Parallel Testing using The Exhaustive Test Method (Exhaustive 테스트 기법을 사용한 효율적 병렬테스팅)

  • 김우완
    • Journal of KIISE:Computer Systems and Theory
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    • v.30 no.3_4
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    • pp.186-193
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    • 2003
  • In recent years the complexity of digital systems has increased dramatically. Although semiconductor manufacturers try to ensure that their products are reliable, it is almost impossible not to have faults somewhere in a system at any given time. As complexity of circuits increases, the necessity of more efficient organized and automated methods for test generation is growing. But, up to now, most of popular and extensive methods for test generation nay be those which sequentially produce an output for an input pattern. They inevitably require a lot of time to search each fault in a system. In this paper, corresponding test patterns are generated through the partitioning method among those based on the exhaustive method. In addition, the method, which can discovers faults faster than other ones that have been proposed ever by inserting a pattern in parallel, is designed and implemented.

A Study on Home-Based Work: The Chracteristics and Practices of Home-Based Work in the United States and The Conceptual Model for Studying on At-Home Income Generation (재택근무 가정의 실태 및 개념적 모델에 관한 연구)

  • 문숙재
    • Journal of the Korean Home Economics Association
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    • v.36 no.3
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    • pp.207-224
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    • 1998
  • This study is approach to the Home-Based Work. More specifically, to examine about the families who try to combined home life and income-generation work under the same roof. Families were looking at Home-Based Work as one solution to the work-family crunch. Many research papers have suggested that Home-Based Work provides an effective way to balance the demands of paid employment and family responsibilities. Therefore, this proposed research reviewed the Home-Based Work as they contributed to individual and family satisfactions. The Prupose of this paper is to address issues related to Home-Based Work from the perspective of theory and application in family resource management, also to suggest a conceptual model for family work activities is advanced. This paper is examined concepts related to Home-Based Work employment that could be used to frame and describe the empirical study are specified. This paper was informed by analyses of data from project NE-167. "At-Home Income Generation: Impact on Management, Productivity, and Stability in Rural/Urban Families". The results from this paper will be helpful in enhancing the stability and satisfaction of families who worked in Home-Based Work.ased Work.

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Literature consideration on pain theory (통증학설에 대한 문헌적 고찰)

  • Kim, Sung-Won
    • Journal of Korean Physical Therapy Science
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    • v.9 no.1
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    • pp.153-158
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    • 2002
  • Pain, which is the most significant issue for the physical therapist, is the cause of various diseases until it disappears, and results in a lot of obstructions to treatment. Pain is very complicated. It is a subjective symptom that informs of a pathologic condition in the body, and one of the unpleasant experiences that people have. It is accompanied with anxiety and fear. Many researchers including Krause(1987) have identified the pain mechanism based on pain perception for many centuries and they have suggested many theories as they believed that pain management was possible. Reviewing the contents of psychoanalysis, uncontrollable pain that can't be explained is described as a defense mechanism to an unconscious psychological conflict. That is, mental pain is transferred to the body and the pain becomes unbearable. What is important is, like Keefe(1992) said, that the pain experience itself is primary stress and one should cope with it, whatever the cause of the pain. This paper investigates the background of the psychological theory of pain. Based on the efforts of previous studies, the next research generation will understand the treatment process for pain more dearly and will contribute to the prevention and protection from pain that humans undergo.

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A DFT Study on Alkali and Alkaline Earth Metal Encapsulated Fullerene-Like BeO Cluster

  • Ravaei, Isa;Beheshtian, Javad
    • Journal of the Korean Chemical Society
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    • v.61 no.6
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    • pp.311-319
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    • 2017
  • By using Density Functional Theory (DFT), we have performed alkali metal and alkaline earth metal inside fullerene-like BeO cluster (FLBeOC) in terms of energetic, geometric, charge transfer, work function and electronic properties. It has been found that encapsulated processes of the alkali metal are exothermic and thermodynamically more favorable than alkaline earth metal encapsulation, so that interaction energy ($E_{int}$) of the alkali metal encapsulation FLBeOC is in the range of -0.02 to -1.15 eV at level of theory. It is found that, the electronic properties of the pristine fullerene-like BeO cluster are much more sensitive to the alkali metal encapsulation in comparison to alkaline earth metal encapsulation. The alkali and alkaline earth metal encapsulated fullerene-like BeO cluster systems exhibit good sensitivity, promising electronic properties which may be useful for a wide variety of next-generation nano-sensor device components. The encapsulation of alkali and alkali earth metal may increase the electron emission current from the FLBeOC surface by reducing of the work function.

Formalizing the Role of Social Capital on Individuals' Continuous Use of Social Networking Sites from a Social Cognitive Perspective

  • Guo, Yu;Li, Yiwei;Ito, Naoya
    • Asian Journal for Public Opinion Research
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    • v.1 no.2
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    • pp.90-102
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    • 2014
  • By integrating useful insights from social cognitive theory and social capital theory, we aim to develop a model for better understanding people's behaviors related to the use of social networking sites (SNSs) and formalize the role of social capital in individuals' continuous SNS use. Propositions that emphasize the triadic interactive relationships among environmental, personal, and behavioral factors were highlighted in this study. After reviewing previous studies, in this paper we proposed the following: (1) the causation between SNS use and individuals' perceived social capital might be mutual; social capital may not only be the result of media selectivity, but could also be an essential stimulus initiating the start of using SNSs; (2) the influences of SNSs use on the generation of individuals' online social capital might be conditional upon particular patterns of use; (3) both the level of dependence on SNSs and the differentiated patterns of SNSs use vary according to individuals' perceived offline social capital and their personal characteristics, for instance, personality or self-construal, and social anxiety.

Cavitating Flow Characteristics around a 2-Dimensional Hydrofoil Section (2차원 날개 단면 주위의 캐비테이팅 유동 특성 연구)

  • Choi, Jung-Eun;Chung, Seok-Ho;Lee, Dong-Hyun
    • Journal of the Society of Naval Architects of Korea
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    • v.44 no.2 s.152
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    • pp.74-82
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    • 2007
  • Recently, the erosion due to cavitation frequently occurs on a horn-type rudder of a high-speed large container carrier. It is necessary to understand the flow characteristics around a rudder in fully wetted and cavitating flow condition, and the process of generation and collapse of cavitation for a rudder design to minimize the cavity-induced erosion. The flow characteristics around a two-dimensional hydrofoil(NACA66) are investigated through the computational method utilizing a viscous flow theory applied to a cavitation model. The computational results from the viscous flow theory are verified by the comparison with the experimental results, and are compared with those from the potential flow theory. The effects of angle of attack, Reynolds number, cavitation number, and thickness ratio on the cavitating flow are also investigated.

Intermediate Font Generation based on Shape Analysis of Hangul Glyph (한글 글립의 조형적 분석에 기반한 중간 폰트 생성)

  • Koo, Sang-Ok;Jung, Soon-Ki
    • Journal of KIISE:Computer Systems and Theory
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    • v.36 no.4
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    • pp.311-325
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    • 2009
  • This paper presents a method for analyzing Hangul glyphs with their outline fonts and obtaining intermediate fonts with two different fonts. The glyphs are represented and analyzed hierarchically such as characters, components(letters) and strokes. With the analysis results, we obtain several intermediate glyphs by morphing two different glyphs of same character. For a natural glyph contour morphing, we employ the curve morphing algorithm by weighted mean of strings. In addition, we provide four operations for transformation of glyphs with different topology. As a result, it is illustrated that the proposed Hangul glyphs morphing scheme is useful for new font generation from any exist fonts or handwritings.