• Title/Summary/Keyword: Complex Geometry

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Preparationan dCrystal Structure of [Ni($L^2$)($H_2O$)]Cl$\cdot$$H_2O$ ($L^2$: 3,14-dimethyl-2,6,13,17-tetraazatricyclo [14,4,$0^{1.18}$,$0^{7.12}$]docosane-N-acetic acid) ([Ni($L^2$)($H_2O$)]Cl$\cdot$$H_2O$ ($L^2$: 3,14-dimethyl-2,6,13,17-tetraazatricyclo [14,4,$0^{1.18}$,$0^{7.12}$docosane-N-acetic acid) 착물의 합성 및 결정구조)

  • Park, Ki-Yonng;Park, Young-Soo;Kim, Jin-Gyu;Suh, Il-Hwan;Kim, Chang-Suk
    • Korean Journal of Crystallography
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    • v.10 no.1
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    • pp.33-38
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    • 1999
  • The complex [Ni(L2)(H2O)]Cl·H2O (1) (L2=3,14-dimethyl-2,6,13,17-tetraazartricyclo [14,4,01.18,07.12]docosane-N-acetic acid) has been synthesized and characterized by X-ray crystallography. 1 crystallizes in the triclinic system, space group P, with a=11.274(1), b=13.851(1), c=17.159(6) , α=90.24(2), β=101.10(2), γ=92.11(1)o V=2682.5(11) 3, Z=4, R1=0.042 and wR2=0.111 for 9432 observed reflections with [I>2σ(I)]. The central nicke(II) ion is six-coordinated octahedral geometry with bonds to the four amine nitrogen atoms the carboxylic oxygen atom of the macrocyclic ligand and to the water molecule occupying a position trans to the pendant arm.

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A Gas-Phase Investigation of Oxygen-Hydrogen Exchange Reaction of O(3P) + C2H5 → H(2S) + C2H4O

  • Jang, Su-Chan;Park, Min-Jin;Choi, Jong-Ho
    • Bulletin of the Korean Chemical Society
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    • v.35 no.3
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    • pp.839-844
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    • 2014
  • The gas-phase radical-radical reaction $O(^3P)$ + $C_2H_5$ (ethyl) ${\rightarrow}$ $H(^2S)$ + $CH_3CHO$(acetaldehyde) was investigated by applying a combination of vacuum-ultraviolet laser-induced fluorescence spectroscopy in a crossed beam configuration and ab initio calculations. The two radical reactants $O(^3P)$ and $C_2H_5$ were respectively produced by photolysis of $NO_2$ and supersonic flash pyrolysis of the synthesized precursor azoethane. Doppler profile analysis of the nascent H-atom products in the Lyman-${\alpha}$ region revealed that the average translational energy of the products and the average fraction of the total available energy released as translational energy were $5.01{\pm}0.72kcalmol^{-1}$ and 6.1%, respectively. The empirical data combined with CBS-QB3 level ab initio theory and statistical calculations demonstrated that the title exchange reaction is a major channel and proceeds via an addition-elimination mechanism through the formation of a short-lived, dynamical addition complex on the doublet potential energy surface. On the basis of systematic comparison with several exchange reactions of hydrocarbon radicals, the observed small kinetic energy release can be explained in terms of the loose transition state with a product-like geometry and a small reverse activation barrier along the reaction coordinate.

Experimental and Numerical Study on Slamming Impact

  • Kwon, Sun Hong;Yang, Young Jun;Lee, Hee Sung
    • Journal of Ocean Engineering and Technology
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    • v.27 no.1
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    • pp.1-8
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    • 2013
  • This paper presents the results of experimental and numerical research on the slamming phenomenon. Two experimental techniques were proposed in this study. The traditional free drop tests were carried out. However, the free drop tests done in this study using an LM guide showed excellent repeatability, unlike those of other researchers. The coefficients of variation for the drop test done in this experiment were less than 0.1. The other experimental technique proposed in this study was a novel concept that used a pneumatic cylinder. The pneumatic cylinder could accelerate the specimen over a very short distance from the free surface. As a result, high rates of repeatability were achieved. In the numerical study, the development of in-house code and utilization of commercial code were carried out. The in-house code developed was based on the boundary element method. It is a potential code. This was mostly applied to the computation of the wedge entry problem. The commercial code utilized was FLUENT. Most of the previous slamming research was done under the assumption of a constant body velocity all through the impact process, which is not realistic at all. However, the interaction of a fluid and body were taken into account by employing a user-defined function in this study. The experimental and numerical results were compared. The in-house code based on BEM showed better agreement than that of the FLUENT computation when it cames to the wedge computation. However, the FLUENT proved that it could deal with a very complex geometry while BEM could not. The proposed experimental and numerical procedures were shown to be very promising tools for dealing with slamming problems.

Cone Surface Classification and Threshold Value Selection for Description of Complex Objects (복잡한 물체의 기술을 위한 원뿔 표면의 분류 및 임계치 선정)

  • Cho, Dong-Uk;Kim, Ji-Yeong;Bae, Young-Lae;Ko, Il-Seok
    • The KIPS Transactions:PartB
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    • v.11B no.3
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    • pp.297-302
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    • 2004
  • In this paper, the 3-D shape description for the objects with the cone ridge and valley surfaces, and the corresponding threshold value selection for surface classification are considered. The existing method based on the mean and Gaussian curvatures(H and K) of differential geometries cannot properly describe cone primitives, which are some of the most common objects in the real world. Also the existing method for surface classification based on the sign values of H and K has Problems in practical applications. For this, cone surface shapes are classified cone ridges and cone valleys are derived from surfaces using the fact that H values are constant case of cylinder surfaces and variable for cone surfaces, respectively. Also threshold value selection for surface classification from a statistical point of view is proposed. The effectiveness of the proposed methods are verified through experiments.

Depletion region analysis of silicon substrate using finite element methods (유한요소법을 이용한 실리콘 기판에서의 공핍 영역 해석)

  • Byeon, Gi-Ryang;Hwang, Ho-Jeong
    • Journal of the Institute of Electronics Engineers of Korea SD
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    • v.39 no.1
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    • pp.1-11
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    • 2002
  • In this paper, new simple method for the calculation of depletion region under complex geometry and general purpose numerical simulator that could handle this were developed and applied in the analysis of SCM with nanoscale tip, which is a promising tool for high resolution dopant profiling. Our simple depletion region seeking algorithm alternatively switches material of elements to align ionized element boundary with contour of zero potential. To prove the validity of our method we examined whether our results satisfy the definition of depletion region and compared those with known values of un junction and MOS structure. By modeling of capacitance based on the shape of depletion region and potential distribution, we could calculate the CV curve and dC/dV curve between silicon substrate and nanoscale SCM tip.

Efficient 3D Modeling of CSEM Data (인공송신원 전자탐사 자료의 효율적인 3차원 모델링)

  • Jeong, Yong-Hyeon;Son, Jeong-Sul;Lee, Tae-Jong
    • 한국지구물리탐사학회:학술대회논문집
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    • 2009.10a
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    • pp.75-80
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    • 2009
  • Despite its flexibility to complex geometry, three-dimensional (3D) electromagnetic(EM) modeling schemes using finite element method (FEM) have been faced to practical limitation due to the resulting large system of equations to be solved. An efficient 3D FEM modeling scheme has been developed, which can adopt either direct or iterative solver depending on the problems. The direct solver PARDISO can reduce the computing time remarkably by incorporating parallel computing on multi-core processor systems, which is appropriate for single frequency multi-source configurations. When limited memory, the iterative solver BiCGSTAB(1) can provide fast and stable convergence. Efficient 3D simulations can be performed by choosing an optimum solver depending on the computing environment and the problems to be solved. This modeling includes various types of controlled-sources and can be exploited as an efficient engine for 3D inversion.

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Sedimentological Study of the Nakdong Formation to analyse the Forming and Evolving Tectonics of the Cretaceous Gyeongsang Basin, I: Depositional Setting, Source, and Paleocurrent Analyses of the Nakdong Formation in the Southwestern Gyeongsang Basin (백악기 경상분지의 생성 및 진화에 관여한 지구조운동의 분석과 최하부 낙동층에 대한 퇴적학적 연구 I: 경상분지 서남단 낙동층의 퇴적환경과 기원암, 고수류 분석)

  • Cheong, Dae-Kyo;Kim, Yong-In
    • Economic and Environmental Geology
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    • v.29 no.5
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    • pp.639-660
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    • 1996
  • The lowest formation of the Cretaceous Gyeongsang Supergroup, the Nakdong Formation, unconformably overlies the gneiss complex basement in Hadong, Gyeongsangnam-do and Gwangyang, Chullanam-do. The Nakdong Formation of the study area is 500-600 m thick and occurs as a belt shape. Based upon lithology, sedimentary structure, and bedding geometry the formation consists of three conglomerate facies (Gd, Gn, Gic), five sandstone facies (Sh-n, Sh-i, Sp, Sr, Sm), and four mudstone facies (Mf, Mfn, Mc, Mv). Sandstone facies are the most prominent in the study area. The twelve facies can be grouped into five facies associations. The depositional settings are elucidated from analyses of 12 facies and five facies associations of the formation. The lower part of the Nakdong Formation was deposited in alluvial plain, and the middle and upper parts were in a riverine system. The lithologies of the Nakdong Formation of the Gyeongsang Basin have been considered to consist of generally conglomerates and pebbly sandstones that were accumulated in alluvial fans. But the common lithology of the study area is sandstone which was formed in lower part of alluvial fan or fluvial setting. It is supposed that the coarser sedimentary sequence distributed west to the study area should be eroded out after deposition and early uplift, and the finer sandstone sequence in the east remains behind. The mineral composition of sandstones and the clast composition of conglomerates indicate that the Nakdong Formation was derived mainly from the metamorphic source rocks. Some reworked intraclasts were also supplied from the intrabasinal sedimentary layers. Paleocurrent data collected from cross-beddings, ripple marks, asymmetric sand dune suggest that most sediments were transported from north to south during the Nakdong Formation time.

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A Study on the Visualization of Ice-formation Phenomena of Bath Water to Decide Maintenance Period of Gas Heater (가스히터 보수주기 결정을 위한 히터내부 열전달 매체액 결빙현상 가시화에 관한 연구)

  • Lee J. H.;Ha J. M.;Sung W. M.
    • Journal of the Korean Institute of Gas
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    • v.5 no.3 s.15
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    • pp.1-8
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    • 2001
  • This study was carried out for the purpose of determination of maintenance period and investigation of weak point due to freeze when the gas heater of KOGAS valve station Is not operated in winter season. 3-dimensional non-linear numerical simulation was conducted in order to predict the time and location which bath water in heater reaches to ice point. FLUENT V 5.0, commercial code, is used for thermal fluid flow analysis. We thought this was problem of heat conduction solving the energy equation and modeled gas heater by using the real geometry and scale for performing the 3-dimensional simulation. It was analyzed complex heat transfer phenomena considering convection due to air on surface, conduction in insulation material, natural convection of liquid in heater and heat loss through the pipe.

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Analytical and higher order finite element hybrid approach for an efficient simulation of ultrasonic guided waves I: 2D-analysis

  • Vivar-Perez, Juan M.;Duczek, Sascha;Gabbert, Ulrich
    • Smart Structures and Systems
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    • v.13 no.4
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    • pp.587-614
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    • 2014
  • In recent years the interest in online monitoring of lightweight structures with ultrasonic guided waves is steadily growing. Especially the aircraft industry is a driving force in the development of structural health monitoring (SHM) systems. In order to optimally design SHM systems powerful and efficient numerical simulation tools to predict the behaviour of ultrasonic elastic waves in thin-walled structures are required. It has been shown that in real industrial applications, such as airplane wings or fuselages, conventional linear and quadratic pure displacement finite elements commonly used to model ultrasonic elastic waves quickly reach their limits. The required mesh density, to obtain good quality solutions, results in enormous computational costs when solving the wave propagation problem in the time domain. To resolve this problem different possibilities are available. Analytical methods and higher order finite element method approaches (HO-FEM), like p-FEM, spectral elements, spectral analysis and isogeometric analysis, are among them. Although analytical approaches offer fast and accurate results, they are limited to rather simple geometries. On the other hand, the application of higher order finite element schemes is a computationally demanding task. The drawbacks of both methods can be circumvented if regions of complex geometry are modelled using a HO-FEM approach while the response of the remaining structure is computed utilizing an analytical approach. The objective of the paper is to present an efficient method to couple different HO-FEM schemes with an analytical description of an undisturbed region. Using this hybrid formulation the numerical effort can be drastically reduced. The functionality of the proposed scheme is demonstrated by studying the propagation of ultrasonic guided waves in plates, excited by a piezoelectric patch actuator. The actuator is modelled utilizing higher order coupled field finite elements, whereas the homogenous, isotropic plate is described analytically. The results of this "semi-analytical" approach highlight the opportunities to reduce the numerical effort if closed-form solutions are partially available.

Effects of chemistry in Mars entry and Earth re-entry

  • Zuppardi, Gennaro
    • Advances in aircraft and spacecraft science
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    • v.5 no.5
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    • pp.581-594
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    • 2018
  • This paper is the follow-on of a previous paper by the author where it was pointed out that the forthcoming, manned exploration missions to Mars, by means of complex geometry spacecraft, involve the study of phenomena like shock wave-boundary layer interaction and shock wave-shock wave interaction also along the entry path in Mars atmosphere. The present paper focuses the chemical effects both in the shock layer and on the surface of a test body along the Mars orbital entry and compares these effects with those along the Earth orbital re-entry. As well known, the Mars atmosphere is almost made up of Carbon dioxide whose dissociation energy is even lower than that of Oxygen. Therefore, although the Mars entry is less energized than the Earth re-entry, one can expect that the effects of chemistry on aerodynamic quantities, both in the shock layer and on a test body surface, are different from those along the Earth re-entry. The study has been carried out computationally by means of a direct simulation Monte Carlo code, simulating the nose of an aero-space-plane and using, as free stream parameters, those along the Mars entry and Earth re-entry trajectories in the altitude interval 60-90 km. At each altitude, three chemical conditions have been considered: 1) gas non reactive and non-catalytic surface, 2) gas reactive and non-catalytic surface, 3) gas reactive and fully-catalytic surface. The results showed that the number of reactions, both in the flow and on the nose surface, is higher for Earth and, correspondingly, also the effects on the aerodynamic quantities.