• Title/Summary/Keyword: theoretical calculation methods

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A RCS investigation of Multiple Chaff clouds using Probability Distribution Characteristics (확률분포를 이용한 다중 채프의 RCS 특성 분석)

  • Chae, Gyoo-Soo;Lim, Joong-Soo;Kim, Young-Ho
    • Journal of Convergence for Information Technology
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    • v.7 no.2
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    • pp.37-42
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    • 2017
  • In order to estimate chaff RCS, we suggest here a novel method using the probability distribution. Normally, a chaff is assumed that it is a thin dipole antenna and the RCS can be calculated by the scattering wave theory. Most of the theoretical methods presented were mainly focusing on a single chaff cloud. In this paper, the RCS calculation was done for two or more chaff clouds and the changes of RCS with azimuth angle were observed. Matlab was used for presenting the probability distribution of chaff clouds and RCS calculation. A more accurate RCS estimation method is suggested by estimating the number of chaffs except the blocked elements.

Theoretical Calculations of Infrared Bands of CH3+ and CH5+

  • Matin, Mohammad A.;Jang, Joonkyung;Park, Seung Min
    • Bulletin of the Korean Chemical Society
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    • v.34 no.7
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    • pp.2051-2055
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    • 2013
  • Existing theoretical calculations predict that infrared spectra of the two most fundamental reactive carbo-ions, methyl cation $CH{_3}^+$ with $D_{3h}$ symmetry and protonated methyl cation $CH{_5}^+$ with $C_s(I)$, $C_s(II)$, and $C_{2v}$ symmetries, appear together in the 7-${\mu}m$ region corresponding to the C-H bending modes. Vibrational band profiles of $CH{_3}^+$ and $CH{_5}^+$ have been compared by ab initio calculation methods that use the basis sets of MP2/aug-cc-pVTZ and CCSD(T)/cc-pVTZ. Our results indicate that the bands of rotation-vibration transitions of $CH{_3}^+$ and $CH{_5}^+$ should overlap not only in the 3-${\mu}m$ region corresponding to the C-H stretching modes but also in the 7-${\mu}m$ region corresponding to the C-H bending modes. Five band intensities of $CH{_5}^+$ among fifteen vibrational transitions between 6 and 8 ${\mu}m$ region are stronger than those of the ${\nu}_2$ and ${\nu}_4$ bands in $CH{_3}^+$. Ultimate near degeneracy of the two bending vibrations ${\nu}_2$ and ${\nu}_4$ of $CH{_3}^+$along with the stronger intensities of $CH{_5}^+$ in the three hydrogen scrambling structures may cause extreme complications in the analysis of the high-resolution carbo-ion spectra in the 7-${\mu}m$ region.

PMO Theory of Orbital Interaction (Ⅴ). ${\pi}$-${\pi}$ and ${\pi}^{\ast}$-${\pi}^{\ast}$ Orbital Interactions (궤도간 상호작용의 PMO 이론 (제5보). ${\pi}$-${\pi}$${\pi}^{\ast}$-${\pi}^{\ast}$ 궤도간 상호작용)

  • Ik Choon Lee;Ki Yull Yang;Nan Pyo Lee;Wang Ki Kim
    • Journal of the Korean Chemical Society
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    • v.29 no.1
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    • pp.23-30
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    • 1985
  • PMO expressions for ${\pi}^{\ast}$-${\pi}^{\ast}$ orbital interaction have been derived. Important differences between ${\pi}$-${\pi}$ and ${\pi}^{\ast}$-${\pi}^{\ast}$ interactions predicted by PMO expressions are : (ⅰ) energy splitting in ${\pi}^{\ast}$-${\pi}^{\ast}$ interaction will be greater than that in ${\pi}$-${\pi}$ interaction, (ⅱ) energy change due to interaction will be more destabilizing in ${\pi}^{\ast}$-${\pi}^{\ast}$ than in ${\pi}$-${\pi}$ interaction. These predictions were borne out in experimental data and in results of MO theoretical computations. It was pointed out that both STeO-3G and INDO-LCBO methods underestimate ${\pi}^{\ast}$-${\pi}^{\ast}$ orbital interaction and in order to estimate properly with MO theoretical calculation, use of split valence basis set is required.

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Structural and Thermal Characteristics of a High-Nitrogen Energetic Material: G(AHDNE)

  • Lu, Lei;Xu, Kangzhen;Zhang, Hang;Wang, Gang;Huang, Jie;Wang, Bozhou;Zhao, Fengqi
    • Bulletin of the Korean Chemical Society
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    • v.33 no.7
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    • pp.2352-2358
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    • 2012
  • A high-nitrogen energetic salt, 1-amino-1-hydrazino-2,2-dinitroethylene guanidine salt [G(AHDNE)], was synthesized by reacting of 1-amino-1-hydrazino-2,2-dinitroethylene (AHDNE) and guanidine hydrochloride in sodium hydroxide aqueous solution. The theoretical investigation on G(AHDNE) was carried out by B3LYP/$6-311+G^*$ method. The thermal behaviors of G(AHDNE) were studied with DSC and TG-DTG methods, and the result presents an intense exothermic decomposition process. The enthalpy, apparent activation energy and pre-exponential constant of the process are $-1060J\;g^{-1}$, $148.7kJ\;mol^{-1}$ and $10^{15.90}s^{-1}$, respectively. The critical temperature of thermal explosion of G(AHDNE) is $152.63^{\circ}C$. The specific heat capacity of G(AHDNE) was studied with micro-DSC method and theoretical calculation method, and the molar heat capacity is $314.69J\;mol^{-1}K^{-1}$ at 298.15 K. Adiabatic time-to-explosion of G(AHDNE) was calculated to be a certain value between 60-72 s. The detonation velocity and detonation pressure were also estimated. G(AHDNE) presents good performances.

Difference analysis of the collapse behaviors of the single-story beam-column assembly and multi-story planar frame

  • Zheng Tan;Wei-Hui Zhong;Bao Meng;Xing-You Yao;Yu-Hui Zheng;Yao Gao;Shi-Chao Duan
    • Steel and Composite Structures
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    • v.50 no.3
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    • pp.265-280
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    • 2024
  • The collapse behavior observed in single-story beam-column assembly (SSBCA) do not accurately represent the actual overall stress characteristic of multi-story frame structure (MSFS) under column loss scenario owing to ignoring the interaction action among different stories, leading to a disconnection between the anti-collapse behaviors of "components" and "overall structures", that is, the anti-collapse performance of frame structures with two different structural scales has not yet formed a combined force. This paper conducts a numerical and theoretical study to explore the difference of the collapse behaviors of the SSBCA and MSFS, and further to reveal the internal force relationships and boundary constraints at beam ends of models SSBCA and MSFS. Based on the previous experimental tests, the corresponding refined numerical simulation models were established and verified, and comparative analysis on the resistant-collapse performance was carried out, based on the validated modeling methods with considering the actual boundary constraints, and the results illustrates that the collapse behaviors of the SSBCA and MSFS is not a simple multiple relationship. Through numerical simulation and theoretical analysis, the development laws of internal force in each story beam under different boundary constraints was clarified, and the coupling relationship between the bending moment at the most unfavorable section and axial force in the composite beam of different stories of multi story frames with weld cover-plated flange connections was obtained. In addition, considering the effect of the yield performance of adjacent columns on the anti-collapse bearing capacities of the SSBCA and MSFS during the large deformation stages, the calculation formula for the equivalent axial stiffness at the beam ends of each story were provided.

Development of Process Technology for Low Pressure Vaccum Carburizing (저압식 진공 침탄(LPC) 열처리 공정 기술 개발)

  • Dong, Sang-Keun;Yang, Jae-Bok
    • 한국연소학회:학술대회논문집
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    • 2004.11a
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    • pp.231-237
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    • 2004
  • Vacuum carburizing continues to gain acceptance as an alternative to atmosphere carburizing particularly in the car industry. The advantages of low-pressure carburization over atmospheric gas carburization is not only the creation of a surface entirely free of oxide and the environmentally friendly nature of these methods but also an improvement in deformation behaviour achieved by combining carburization with gas quenching, a reduction in batch times by increasing the carburization temperature, low gas and energy consumption and the prevention of soot to a large extent. In present study, an improved vacuum carburizing method is provided which is effective to deposit carbon in the surface of materials and to reduce cycle time. Also LPC process simulator was made to optimize to process controls parameters such as pulse/pause cycles of pressure pattern, temperature, carburizing time, diffusion time. The carburizing process was simulated by a diffusion calculation program, where as the model parameters are proposed with help the experimental results and allows the control of the carburizing process with good accordance to the practical results. Thus it can be concluded that LPC process control method based on the theoretical simulation and experimental datas appears to provide a reasonable tool for prototype LPC system.

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Dynamic calculation of a tapered shaft rotor made of composite material

  • Rachid, Zahi;Kaddour, Refassi;Achache, Habib
    • Advances in aircraft and spacecraft science
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    • v.5 no.1
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    • pp.51-71
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    • 2018
  • This work proposes a theoretical and numerical study on the behavior of a tapered shaft rotor made of composite materials by the classical version h and the version p of the finite element method. Hierarchical form functions are used to define the model. The purpose of this paper is to determine the expressions of the kinetic and potential energies of the tree necessary for the results of the equations of motion. A comparison between the version h and the p version of the finite element method of the functions of polynomial and trigonometric hierarchical forms with six degrees of freedom per node, of a composite tapered and cylindrical shaft which rotates at a constant speed about its axis. It is found that when the number of functions of form (the version p) is increased, the solution converges. It is also observed that the conicity of the shaft increases the rigidity with respect to a uniform shaft having the same mechanical properties. The numerical simulation allowed us to determine the natural frequencies and the critical speeds of the composite shaft systems are compared with those available in the literature and the effectiveness of the methods used are discussed.

EXPERIMENTAL AND AB INITIO CHARACTERIZATION OF THE ANHARMONICITY OF $v_s(OH)$ VIBRATION IN PHENOL DERIVATIVES

  • Boguslawa, Czarnik-Matusewicz;Rospenk, Maria;Koll, Aleksandern
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1274-1274
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    • 2001
  • An anharmonicity is a fundamental quantity shaping the potential for stretching OH vibration in phenol and its derivatives. The phenomenon is examined both by experimental and theoretical methods. FT-IR and NIR spectra of series of phenols derivatives were measured in the range of fundamental and first two Overtones of $_{s}(OH)$ Vibrations in $CCl_4$ solutions. The electronic influence of substituents on the analyzed frequencies is discussed and correlated with $pK_{a}$ parameters. Ab initio MP2/6-31G(d,p) and B3LYP/6-31G(g,p) calculations of the potential for proton movement in OH group were performed. Equilibrium structures were also determined. The frequencies of fundamental and overtones were calculated by Numerov-type procedure. The results of calculations are compared with the experimental data. The best linear correlations were obtained for the results of MP2/6-31G(d,p) calculations. It was shown that some structural parameters are especially sensitive on substitution. The linear correlations were found between those parameters and spectroscopic data. The results of calculation are compared with available crystallographic data.

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A Study on "Seung Aeh Ill Chan" ("승애일찬(升厓日纂)"에 관한 소고(小考))

  • Hwang, Sunwook;Yoon, Hyun-Ju;Chong, Chin-Kang
    • Journal for History of Mathematics
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    • v.27 no.1
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    • pp.31-45
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    • 2014
  • The book Su Hak Ip Mun(數學入門, Introduction to Mathematics) is one part of 5 sections of the book Seung Aeh Ill Chan(升厓日簒), which is a hand written manuscript in Chinese characters and the author and the date of writing is unknown. The book Seung Aeh Ill Chan begins with the song of division table so called Guguiga(九歸歌). We first investigate and compare the writing pattern of this with other old Korean mathematical books. Next, we investigate typical expression and calculation methods of mathematical contents and terminologies used in Su Hak Ip Mun and also figure out oddities of writing pattern of mathematical expression and cultural circumference of several problems dealt in the book. From these analysis and investigation, we estimate the writing date of Su Hak Ip Mun later than the year 1723 on which Su Ri Jeong On(數理精蘊) was first published. And we presumably guess that Guguiga and Su Hak Ip Mun are made not for practical use or theoretical purpose but for text to teach students.

A Study on Railroad Track Capacity According to Transit Railway Demand (철도이용수요에 따른 선로용량 변화 분석 연구)

  • Kim, Ickhee;Kim, Incheol;Bae, Yeong-Gyu;Wang, Yeondae
    • Journal of the Korean Operations Research and Management Science Society
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    • v.38 no.3
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    • pp.23-35
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    • 2013
  • It is very important that the calculation of railroad track capacity in infrastructure investment analysis and train operation planning. The dwelling time is one of the factors that influence in railroad track capacity. Current research in dwelling time has been focusing on theoretical investigation, the state of the research in effective variable (dwelling time etc) is insufficient. In this paper, we clearly draw the concept of railroad track capacity and the estimate on modeling of relationship railway demand and dwelling time. Also, we compare and analyze the variation of railroad track capacity according to transit railway demand in Gyeongin Line (Guro~Inchon). This paper is expected to contribute for improving on the in-using equations and methods in train operation planning as well as for improving level of service on railway user.