• Title/Summary/Keyword: C2 Theory

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First-principles Calculations of the Phonon Transport in Carbon Atomic Chains Based on Atomistic Green's Function Formalism

  • Kim, Hu Sung;Park, Min Kyu;Kim, Yong-Hoon
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.425.1-425.1
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    • 2014
  • Thermal transport in nanomaterials is not only scientifically interesting but also technological important for various future electronic, bio, and energy device applications. Among the various computation approaches to investigate lattice thermal transport phenomena in nanoscale, the atomistic nonequilibrium Green's function approach based on first-principles density functional theory calculations appeared as a promising method given the continued miniaturization of devices and the difficulty of developing classical force constants for novel nanoscale interfaces. Among the nanometerials, carbon atomic chains, namely the cumulene (all-doulble bonds, ${\cdots}C=C=C=C{\cdots}$) and polyyne (alternation of single and triple bonds, ${\cdots}C{\equiv}C-C{\equiv}C{\cdots}$) can be considered as the extream cases of interconnction materials for nanodevices. After the discovery and realization of carbon atomic chains, their electronic transport properties have been widely studied. For the thermal transport properties, however, there have been few literatures for this simple linear chain system. In this work, we first report on the development of a non-equilibrium Green's function theory-based computational tool for atomistic thermal transport calculations of nanojunctions. Using the developed tool, we investigated phonon dispersion and transmission properties of polyethylene (${\cdots}CH2-CH2-CH2-CH2{\cdots}$) and polyene (${\cdots}CH-CH-CH-CH{\cdots}$) structures as well as the cumulene and polyyne. The resulting phonon dispersion from polyethylene and polyene showed agreement with previous results. Compared to the cumulene, the gap was found near the ${\Gamma}$ point of the phonon dispersion of polyyne as the prediction of Peierls distortion, and this feature was reflected in the phonon transmission of polyyne. We also investigated the range of interatomic force interactions with increase in the size of the simulation system to check the convergence criteria. Compared to polyethylene and polyene, polyyne and cumulene showed spatially long-ranged force interactions. This is reflected on the differences in phonon transport caused by the delicate differences in electronic structure.

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GROUP THEORY FOR TETRAAMMINEPLATINUM(II) WITH $C_{2v}\;AN;C_{4v}$ POINT GROUP IN THE NON-RIGID SYSTEM

  • Ashrafi, Ali-Reza;Hamadanian, Masood
    • Journal of applied mathematics & informatics
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    • v.14 no.1_2
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    • pp.289-303
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    • 2004
  • The non-rigid molecule group theory (NRG) in which the dynamical symmetry operations are defined as physical operations is a new field of chemistry. Smeyers in a series of papers applied this notion to determine the character table of restricted NRG of some molecules. In this work, a simple method is described, by means of which it is possible to calculate character tables for the symmetry group of molecules consisting of a number of NH3 groups attached to a rigid framework. We study the full non-rigid group (f-NRG) of tetraammineplatinum(II) with two separate symmetry groups C2v and C4v. We prove that they are groups of order 216 and 5184 with 27 and 45 conjugacy classes, respectively. Also, we will compute the character tables of these groups.

A Modfication Study on Horizontal Earth Pressure in the Symmetrically Sloped Backfilled Space (대칭적으로 경사진 되메움된 공간에서의 수평토압에 대한 수정연구)

  • Moon, Chang-Yeul
    • Journal of the Korean GEO-environmental Society
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    • v.4 no.2
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    • pp.57-64
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    • 2003
  • Marston (1913) and Spangler's (1982) theory was widely used in the analysis of the earth pressure of the narrow and long excavated ditch type backfield ground. Their theory was more clearly explained by expressing the minor principle stress arch connecting the minor principle stress link induced by interaction between the excavated wall surface and the backfilled earth. which was done by R.L. Handy(1985). Later C.G. Kellogg(1993) extended the study from vertical symmetric to incline symmetric in the backfill space type research. In the C.G. Kellogg's study, it is assumed that the resistance of wall friction on the sloping wall could be replaced by the internal friction angle in the sloping section bottom. In the study, the resistance of wall friction in the sloping section bottom, which was applied by C.G. Kellogg, would be different in magnitude with the resistance of wall friction in sloping section. The magnitude is expected to affect in the earth pressure calculation and verified by the soil test box, the C.G. Kellogg's theory, the numerical analysis and the modified C.G. Kellogg's theory considering the friction resistance to influence the incline wall.

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Application of Weifull강s Theory to Evaluation of Strength for Ceramic Fibers (Ceramic 섬유의 강도 평가에 대한 Weibll 이론의 적용)

  • 이지환;김현수;한상훈
    • Journal of the Korean Ceramic Society
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    • v.27 no.8
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    • pp.1043-1049
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    • 1990
  • In this work, strength of ceramic fibers and monofilament composites were evaluated on the basis of Weibull's theory. The fibers used were β-SiC and γ-Al2O3 monofilament composites was fabricated by coating Al on the fiber surface by the use of vacuum evaporation method. Average tensile strength of ceramic fibers showed the tendency to linearly decrease with increasing gauge length. Also, Weibull moduli of ceramic fibers were decreased with increasing gauge length, Weibull modulus of β-SiC was 3.5 for 6-50mm, 2.8 for 100-200mm. Weibull modulus of γ-Al2O3 was 6.5 for 20-50mm, 6 for 100mm. Fibers in monofilament retained their original as-produced strength to exposure temperature of 400℃. However, tensile strength of both monofilament composites approved to remarkably degrade due to interfacial reaction-induced flaws on the fiber surface after thermal exposure of 600℃. In this case, Weibull modulus of monofilament composites was 2.7 for β-SiC and 5.2 for γ-Al2O3 respectively.

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Application of Flory-Treszczanowicz-Benson model and Prigogine-Flory-Patterson theory to Excess Molar Volume of Binary Mixtures of Ethanol with Diisopropyl Ether, Cyclohexane and Alkanes (C6-C9)

  • Kashyap, Pinki;Rani, Manju;Tiwari, Dinesh Pratap;Park, So-Jin
    • Korean Chemical Engineering Research
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    • v.58 no.2
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    • pp.257-265
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    • 2020
  • Densities (ρ) for binary mixtures of ethanol (1) + diisopropyl ether (DIPE) or cyclohexane or alkane (C6-C9) (2) were measured at 298.15 K, 308.15 K and 318.15 K. The excess molar volume (VEm) of binary mixtures was calculated using ρ data and correlated with Redlich-Kister polynomial equation. The VEm values for binary mixtures of ethanol (1) + cyclohexane or n-alkane (C6-C9) (2) were positive, whereas for ethanol (1) + DIPE (2) these were negative. The magnitude of VEm values follows the order: cyclohexane > n-nonane > n-octane > n-heptane > n-hexane > DIPE. The VEm values have been interpreted qualitatively and also quantitatively in terms of Flory-Treszczanowicz-Benson (FTB) model and Prigogine-Flory-Patterson (PFP) theory. The values VEm predicted using FTB model agree well with experimental VEm values at all mole fractions. But the PFP theory describes well VEm data in ethanol-rich region (x1 > 0.5) for all binary mixtures and is able to predict the sign of VEm vs x1 curve for ethanol-lean region (x1 < 0.5) except for ethanol (1) + nonane (2) mixtures.

SNS Technology Contribution to B2C Channel Benefits (SNS 기술의 B2C 채널 효용 기여 모형)

  • Son, Jin-Ryeom;Han, Hyun-Soo
    • Korean Management Science Review
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    • v.32 no.4
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    • pp.135-153
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    • 2015
  • In this paper, we intend to understand distinguishable SNS technology contributions for B2C commerce. In order to theorize this, we draw upon Technology-to-Performance chain (TPC) theory to develop the model that could explain how the technology value of the SNS could be realizable. For the purpose of capturing SNS technology effect to B2C channel effectiveness, on the basis of TPC theory, personal productivity is selected as a performance variable instead of satisfaction from SNS usage. Accordingly, as the antecedents of personal productivity, two variables of locatability and timeliness are extracted to reflect Task-technology-fit (TTF) dimension of performance precursors. For the utilization dimension of TPC framework, convenience and recreation tendency of the personal traits in shopping are included as the precursors of SNS utilization in the sense of reflecting utilitarian and hedonic value of SNS adoption. Empirical validation is conducted with reference to promotion and sales event on Facebook, which is chosen as the typical SNS based B2C commerce scenario. The data analysis result provide useful insights to further investigate the firm's SNS usage potentials for business applications.

Development of a Surface Temperature Prediction Model Using Neural Network Theory (신경망 이론을 이용한 노면온도예측모형 개발)

  • Kim, In Su;Yang, Choong Heon;Choi, Keechoo
    • Journal of Korean Society of Transportation
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    • v.32 no.6
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    • pp.686-693
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    • 2014
  • This study presents a model that enables to predict road surface temperature using neural network theory. Historical road surface temperature data were collected from Road Weather Information System. They used for the calibration of the model. The neural network was designed to predict surface temperature after 1-hour, 2-hour, and 3-hour from now. The developed model was performed on Cheongwon-Sangju highway to test. As a result, the standard deviation of the difference of the predicted and observed was $1.27^{\circ}C$, $0.55^{\circ}C$ and $1.43^{\circ}C$, respectively. Also, comparing the predicted surface temperature and the actual data, R2 was found to be 0.985, 0.923, and 0.903, respectively. It can be concluded that the explanatory power of the model seems to be high.

Analysis of composite plates using various plate theories -Part 2: Finite element model and numerical results

  • Bose, P.;Reddy, J.N.
    • Structural Engineering and Mechanics
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    • v.6 no.7
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    • pp.727-746
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    • 1998
  • Finite element models and numerical results are presented for bending and natural vibration using the unified third-order plate theory developed in Part 1 of this paper. The unified third-order theory contains the classical, first-order, and other third-order plate theories as special cases. Analytical solutions are developed using the Navier and L$\acute{e}$vy solution procedures (see Part 1 of the paper). Displacement finite element models of the unified third-order theory are developed herein. The finite element models are based on $C^0$ interpolation of the inplane displacements and rotation functions and $C^1$ interpolation of the transverse deflection. Numerical results of bending and natural vibration are presented to evaluate the accuracy of various plate theories.

SOME RESULTS ON COMPLEX DIFFERENTIAL-DIFFERENCE ANALOGUE OF BRÜCK CONJECTURE

  • Chen, Min Feng;Gao, Zong Sheng
    • Communications of the Korean Mathematical Society
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    • v.32 no.2
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    • pp.361-373
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    • 2017
  • In this paper, we utilize the Nevanlinna theory and uniqueness theory of meromorphic function to investigate the differential-difference analogue of $Br{\ddot{u}}ck$ conjecture. In other words, we consider ${\Delta}_{\eta}f(z)=f(z+{\eta})-f(z)$ and f'(z) share one value or one small function, and then obtain the precise expression of transcendental entire function f(z) under certain conditions, where ${\eta}{\in}{\mathbb{C}}{\backslash}\{0\}$ is a constant such that $f(z+{\eta})-f(z){\not\equiv}0$.

An experimental study of HwaYul(火熱) theory on the "SoMunHyunKiWonByungSik(素問玄機原病式)" ("소문현기원병식(素問玄機原病式)"에 기재된 중풍(中風)의 화열(火熱) 병인론(病因論)에 대한 저체온요법을 통한 실험적 고찰)

  • Choi, Seong-Hun
    • Journal of Korean Medical classics
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    • v.20 no.2
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    • pp.53-59
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    • 2007
  • In Oriental medicine, different suggestions regarding how cerebrovascular accident(CVA) may develop have been offered by several physicians. In Jin(金)Yuan(元) dynasty, Liu Wan Su(劉完素) asserted that CVA was not developed by external PungSa(風邪) but internal HwaYul, which was noted in the "SoMunHyunKiWonByungSik". To verify experimentally Liu's HwaYul theory in rats, normothermic control group (37$^{circ}C$) and hypothermic test group (32$^{circ}C$) were subjected to transient middle cerebral artery occlusion(MCAO) of 1hour. In 7days after MCAO, the rats were sacrified and the volume of infarct and the size of edema were measured. The present findings expand our understanding of the pathophysiology as to the CVA which is related to the HwaYul theory.

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