• Title/Summary/Keyword: potential function

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Molecular dynamics simulation of ultra-low energy ion implantation for GSI device technology development (GSI소자 개발을 위한 극 저 에너지 이온 주입에 대한 분자 역학 시뮬레이션)

  • 강정원;손명식;황호정
    • Journal of the Korean Institute of Telematics and Electronics D
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    • v.35D no.3
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    • pp.18-27
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    • 1998
  • Molecular dynamicsinvestigations of ion implantation considering point defect generation were performed with ion energies in the range of ~1keV, Simulation starts perfect diamond cubic lattice site. Stillinger-Weber potential and ZBL potential were used to calculate forces between atoms. We have simulated slowing-down of ion velocity, ion trajectory and coupled-coing between ion and silicon. We also discussed distribution of point defect using rdial distribution function. We found that interstitial produced by ion bombardment mainly formed interstitial cluster.

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COMPUTATION OF ADDED MASS AND DAMPING COEFFICIENTS DUE TO A HEAVING CYLINDER

  • Bhatta Dambaru D.
    • Journal of applied mathematics & informatics
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    • v.23 no.1_2
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    • pp.127-140
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    • 2007
  • We present the boundary value problem (BVP) for the heave motion due to a vertical circular cylinder in water of finite depth. The BVP is presented in terms of velocity potential function. The velocity potential is obtained by considering two regions, namely, interior region and exterior region. The solutions for these two regions are obtained by the method of separation of variables. The analytical expressions for the hydrodynamic coefficients are derived. Computational results are presented for various depth to radius and draft to radius ratios.

Analysis of Hydroelastic Responses for Very Large Floating Structures with a Shallow Draft (천흘수 초대형 부유식 해양규조물의 유탄성 응답해석)

  • 신현경
    • Journal of Ocean Engineering and Technology
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    • v.14 no.2
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    • pp.53-59
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    • 2000
  • A numerical method to predict responses of very large floating structures in wave is suggested using source-dipole distribution method. The deflection of the plate is calculated by the finite element method in terms of rigidity matrix of each node. The calculated results for a plate are compared with the experimental ones.

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The Cooperate Navigation for Swarm Robot Using Centroidal Voronoi Tessellation (무게중심 보로노이 테셀레이션을 이용한 군집로봇의 협조탐색)

  • Bang, Mun-Seop;Joo, Young-Hoon
    • The Transactions of The Korean Institute of Electrical Engineers
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    • v.61 no.1
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    • pp.130-134
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    • 2012
  • In this paper, we propose a space partitioning technique for swarm robots by using the Centroidal Voronoi Tessellation. The proposed method consists of two parts such as space partition and collision avoidance. The space partition for searching a given space is carried out by a density function which is generated by some accidents. The collision avoidance is implemented by the potential field method. Finally, the numerical experiments show the effectiveness and feasibility of the proposed method.

The Determination of Interconversion Barrers of Oxygen-Containing Cyclohexene Analogues

  • Ju, Jae Beom;Lee, Su No;Lee, Guk Haeng
    • Bulletin of the Korean Chemical Society
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    • v.17 no.1
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    • pp.7-11
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    • 1996
  • The interconversion barriers between two twisted conformers of four oxygen-containing cyclohexene analogues have been investigated utilizing a periodic hindered pseudorotational model, molecular mechanics (MM3) calculations, and previously reported far-infrared spectra. The six-fold pseudorotational potential energy function satisfactorily fits the observed bending transitions. The interconversion barrier heights calculated from the pseudorotational model show excellent agreement with those determined from two-dimensional potential energy surfaces for the ring-bending and ring-twisting vibrations. The barriers to interconversion range from 3350 $cm^{-1}$ (9.6 kcal/mol) to 3890 $cm^{-1}$ (11.1 kcal/mol) for four oxygen-containing cyclohexene analogues.

Activation Energy for the Decapsulation of Small Molecules from A-Type Zeolites

  • 김정섭;황계정;홍석봉;노경태
    • Bulletin of the Korean Chemical Society
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    • v.18 no.3
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    • pp.280-286
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    • 1997
  • Potential energy function sets for some ion-exchanged A-type zeolites, K-A and Rb11Na1-A, were determined by introducing the X-ray crystal structures as constraints. The potential functions reproduced well the X-ray crystal structures of the monovalent ion-exchanged zeolites. The activation energies for the en- or de-capsulation of small molecules (H2, O2, N2, and CH4) and inert gases from the α-cage of model zeolites (Na-A, K-A, Rb11Na1-A, and Cs3Na9-A) were obtained by the molecular mechanical calculations. The calculated activation energies agreed well with experimental results.

A STUDY ON THE CORROSION OF AMALGAMS IN CHLORIDE SOLUTION (Chloride용액에서의 아말감부식에 대한 연구)

  • Um, Chung-Moon
    • Restorative Dentistry and Endodontics
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    • v.23 no.1
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    • pp.502-514
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    • 1998
  • The purpose of this study is to observe the corrosion characteristcs of four dental amalgams(CAULK FINE CUT, CAULK SPHERICAL, DISPERSALLOY, TYTIN) and to determine a function of chloride concentration through the anodic polarization curve obtained by using a potentiostat. After each amalgam alloy and Hg being triturated, the triturated mass was inserted into the cylinderical metal mold, and condensed by hydrolic pressure. Each specimen was removed from the metal mold. 24 hours after condensation, specimens were polished with the emery paper and stored at room temperature for 6 months. The anodic polarization curves were employed to compare the corrosion behaviours of the amalgam m KCl and KCl-NaCl solution, which had chlonde concentration of 0.4 g/l, 0.8 g/l, 1.2 gil, and 1.6 gil at $37^{\circ}C$ with 3-electrode potentiostat. After the immersion of specimen in electrolyte for 1 hour, the potential scan was begun. The potential scan range was - 1500mV ~+800mV(vs. S.C.E.) in the working electrode and the scan rate was 50mV/sec. The results were as follows, 1. The corrosion potential. the potential of anodic current peak, and transpassive potential in the solution of high chloride concentration shifted to more cathodic direction than those in the solution of low concentration, and the current density in the solution of high chloride concentration was higher than that in the solution of low concentration. 2. The corrosion potential, the potential of anodic current peak, and transpassive potential for CAULK FINE CUT amalgam were the most cathodic among the others, and the current density were the highest among the others. 3. In the solution of low chloride concentration, the corrosion potential, the potential of anodic current peak, and transpassive potential for DISPERSALLOY were the most anodic among the others, however in the solution of high chloride concentration, those for TYTIN were the most anodic among the others. 4. The anodic polarization curve for CAULK SPHERICAL was similar to that for high copper amalgams.

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The Effect of Melatonin on Mitochondrial Function in Endotoxemia Induced by Lipopolysaccharide

  • Liu, Jing;Wu, Fengming;Liu, Yuqing;Zhang, Tao;Tang, Zhaoxin
    • Asian-Australasian Journal of Animal Sciences
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    • v.24 no.6
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    • pp.857-866
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    • 2011
  • This study examined the metabolism of free radicals in hepatic mitochondria of goats induced by lipopolysaccharide (LPS), and investigated the effects of melatonin (MT). Forty-eight healthy goats ($10{\pm}1.2\;kg$) were randomly selected and divided into four groups: saline control, LPS, MT+LPS and MT. The goats within each group were3 sacrificed either 3 or 6 h after treatment and the livers removed to isolate mitochondria. The respiration control ratio (RCR), the ADP:O ratio, the oxidative phosphorylation ratio (OPR), the concentration of $H_2O_2$ and the activities of Complex I-IV were determined. The mitochondrial membrane potential ($\Delta\psi_m$) was analyzed by flow cytometry. The results showed that RCR, O/P and OPR of the LPS group decreased (p<0.05), as well as activities of respiratory complexes, whereas the generation of $H_2O_2$ in Complex III increased (p<0.05) after 3 h, while Complex II and III increased after 6 h. Also, it was found that the mitochondrial membrane potential of the LPS group declined (p<0.05). However, pre-treatment with MT attenuated the injury induced by LPS, which not only presented higher (p<0.05) RCR, O/P, OPR, and respiratory complex activities, but also maintained the $\Delta\psi_m$. Interestingly, it is revealed that, in the MT+LPS group, the generation of $H_2O_2$ increased firstly in 3 h, and then significantly (p<0.05).decreased after 6 h. In the MT group, the function of mitochondria, the transmenbrane potential and the generation of $H_2O_2$ were obviously improved compared to the control group. Conclusion: melatonin prevents damage caused by LPS on hepatic mitochondria of goats.

Scanning Kelvin Probe Microscope analysis of Nano-scale Patterning formed by Atomic Force Microscopy in Silicon Carbide (원자힘현미경을 이용한 탄화규소 미세 패터닝의 Scanning Kelvin Probe Microscopy 분석)

  • Jo, Yeong-Deuk;Bahng, Wook;Kim, Sang-Cheol;Kim, Nam-Kyun;Koo, Sang-Mo
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2009.11a
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    • pp.32-32
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    • 2009
  • Silicon carbide (SiC) is a wide-bandgap semiconductor that has materials properties necessary for the high-power, high-frequency, high-temperature, and radiation-hard condition applications, where silicon devices cannot perform. SiC is also the only compound semiconductor material. on which a silicon oxide layer can be thermally grown, and therefore may fabrication processes used in Si-based technology can be adapted to SiC. So far, atomic force microscopy (AFM) has been extensively used to study the surface charges, dielectric constants and electrical potential distribution as well as topography in silicon-based device structures, whereas it has rarely been applied to SiC-based structures. In this work, we investigated that the local oxide growth on SiC under various conditions and demonstrated that an increased (up to ~100 nN) tip loading force (LF) on highly-doped SiC can lead a direct oxide growth (up to few tens of nm) on 4H-SiC. In addition, the surface potential and topography distributions of nano-scale patterned structures on SiC were measured at a nanometer-scale resolution using a scanning kelvin probe force microscopy (SKPM) with a non-contact mode AFM. The measured results were calibrated using a Pt-coated tip. It is assumed that the atomically resolved surface potential difference does not originate from the intrinsic work function of the materials but reflects the local electron density on the surface. It was found that the work function of the nano-scale patterned on SiC was higher than that of original SiC surface. The results confirm the concept of the work function and the barrier heights of oxide structures/SiC structures.

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The Fault Tolerant Evaluation Model due to the Periodic Automatic Fault Detection Function of the Safety-critical I&C Systems in the Nuclear Power Plants (원전 안전필수 계측제어시스템의 주기적 자동고장검출기능에 따른 고장허용 평가모델)

  • Hur, Seop;Kim, Dong-Hoon;Choi, Jong-Gyun;Kim, Chang-Hwoi;Lee, Dong-Young
    • The Transactions of The Korean Institute of Electrical Engineers
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    • v.62 no.7
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    • pp.994-1002
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    • 2013
  • This study suggests a generalized availability and safety evaluation model to evaluate the influences to the system's fault tolerant capabilities depending on automatic fault detection function such as the automatic periodic testings. The conventional evaluation model of automatic fault detection function deals only with the self diagnostics, and supposes that the fault detection coverage of self diagnostics is always constant. But all of the fault detection methods could be degraded. For example, the periodic surveillance test has the potential human errors or test equipment errors, the self diagnostics has the potential degradation of built-in logics, and the automatic periodic testing has the potential degradation of automatic test facilities. The suggested evaluation models have incorporated the loss or erroneous behaviors of the automatic fault detection methods. The availability and the safety of each module of the safety grade platform have been evaluated as they were applied the automatic periodic test methodology and the fault tolerant evaluation models. The availability and safety of the safety grade platform were improved when applied the automatic periodic testing. Especially the fault tolerant capability of the processor module with a weak self-diagnostics and the process parameter input modules were dramatically improved compared to the conventional cases. In addition, as a result of the safety evaluation of the digital reactor protection system, the system safety of the digital parts was improved about 4 times compared to the conventional cases.