• Title/Summary/Keyword: cluster calculation

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Parallel Multi-Monitor Display of Flight Simulation Graphics Using Linux Cluster (리눅스 클러스터를 이용한 비행환경 다중모니터 병렬 그래픽 처리)

  • Kim, Byoung-Soo;Kim, Ki-Young
    • Journal of the Korea Institute of Military Science and Technology
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    • v.9 no.3
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    • pp.20-24
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    • 2006
  • In this paper, our research efforts and activities for displaying flight simulation graphics on multi-monitors connected to a Linux cluster is introduced. In this pilot system graphics rendering as well as view calculation including LOD implementation for each monitor is peformed on each sub-node computer connected to the monitor rather than using an expensive main server. The Linux cluster is constructed by combining general-purpose desktop computers, and MPI library Is used for communication between sub-nodes. It could be concluded from our experience that it is possible to construct a massive multi-monitor display system by adding to the cluster as many sub-node computers and monitors as possible with economic efficiency.

C20 Cluster의 안정한 구조 탐색

  • Yu, Dong-Seon;Lee, Gyu-Hyeon
    • Proceeding of EDISON Challenge
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    • 2013.04a
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    • pp.205-209
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    • 2013
  • 본 실험에서는 탄소 cluster 중에서 fullerene 구조를 가질 수 있는 가장 작은 cluster인 $C_{20}$ cluster에 대해, 기존 연구에서 가장 안정한 것으로 제시된 cage(fullerene), bowl, ring의 3가지 구조와 $Si_{20}$ cluster를 모방한 구조 하나의 안정성을 확인하였다. ab-initio calculation을 지원하는 Edison nanophysics의 LCAODFLab을 이용하여 LDA-CA, GGA-PBE 두 가지 방법으로 계산하였다. 계산 값을 바탕으로 각 구조의 원자화에너지를 비교한 결과 LDA와 GGA 모두 cage, bowl, ring의 순서로 안정하였다. 최적화한 구조에 대하여 구조분석을 진행하였다. 최적화 결과 Bowl은 $C_{5v}$, ring은 $D_{10h}$, cage는 $C_{2h}$ 대칭성을 가지는 구조였으며, LDA, GGA 계산 모두 $C_{20}$ 구조의 spin polarization에는 영향을 받지 않았다.

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The Magnetic Structure and Magnetic Anisotropy Energy Calculations for Transition Metal Mono-oxide Clusters (전이금속산화물 클러스터의 자기구조 및 자기이방성에너지 계산)

  • Park, Key-Taeck
    • Journal of the Korean Magnetics Society
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    • v.21 no.1
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    • pp.1-4
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    • 2011
  • We have studied magnetic structure and magnetic anisotropy energy of cubic transition metal mono-oxide cluster FeO and MnO using OpenMX method based on density functional method. The calculation results show that the antiferromagnetic spin arrangement has the lowest energy for FeO and MnO due to the superexchange interactions. The magnetic anisotropy is only found for antiferromagnetically ordered FeO cluster, since occupied electron of 3d down-spin level induces the spin-orbit couplings with <111> directed angular momentum.

A Theoretical Synthesis of Poly(methyl methacrylate) (PMMA) by the Molecular Orbitals Calculation

  • Kim, Jong-Too;Kim, Ui-Rak;Akira Imamura
    • Macromolecular Research
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    • v.8 no.6
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    • pp.292-297
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    • 2000
  • The theoretical synthesis of the isotactic and syndiotactic poly(methyl methacrylate) were carried out as a model for real polymerization reactions following the normal chain reaction processes by repeating the uniform localization of wave functions with inclusion of the interaction between the end group of the cluster and an attaching molecule by the elongation method, and then, the calculated value was compared with the usual PM$_3$ calculation. The results revealed that a reaction of cluster with monomer molecules has made it possible to calculate the electronic structure and total energy of polymer with nearly infinite length and a matrix of constant dimension. The isotactic poly(methyl methacrylate) is more stable than syndiotactic one. The same tendency have been found between the experimentally measured properties and a calculated total energy to explain the chain motion in isotatic and syndiotactic poly(methyl methacrylate).

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Parallel Implementation of Nonlinear Analysis Program of PSC Frame Using MPI (MPI를 이용한 PSC 프레임 비선형해석 프로그램의 병렬화)

  • 이재석;최규천
    • Proceedings of the Computational Structural Engineering Institute Conference
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    • 2001.04a
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    • pp.61-68
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    • 2001
  • A parallel nonlinear analysis program of prestressed concrete frame is migrated on a PC cluster system and a massively parallel processing system, CRAY T3E system, using MPI. The PC cluster system is configured with Pentium Ⅲ class PCs and fast ethernet. The CRAY T3E system is composed of a set of nodes each containing one Processing Element (PE), a memory subsystem and its distributed memory interconnect network. Parallel computing algorithms are implemented on element-wise processing parts including the calculation of stiffness matrix, element stresses and determination of material states, check of material failure and calculation of unbalanced loads. Parallel performance of the migrated program is evaluated through typical numerical examples.

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Effect of Basis Set Superposition Error on the MP2 Relative Energies of Gold Cluster Au6

  • Kim, Kyoung-Hoon;Kim, Jong-Chan;Han, Young-Kyu
    • Bulletin of the Korean Chemical Society
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    • v.30 no.4
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    • pp.794-796
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    • 2009
  • We have studied the structures and stabilities of Au6 to explore the origin of the large discrepancy between relative energies obtained from the density functional theory (DFT) and ab initio correlated levels of theory. The MP2 methods significantly overestimate the stability of the non-planar isomer when the double-$\zeta$ polarization quality of basis sets, such as LANL2DZ+1f and CEP31G+1f, are used. However, we show that such preference for the non-planar structure at the MP2 level mainly originates from the large basis set superposition error.

Bubble Nucleation in Polymer Solutions (고분자 용액에서의 기포 형성)

  • 강성린;김기영;곽호영
    • Polymer(Korea)
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    • v.28 no.1
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    • pp.51-58
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    • 2004
  • The molecular cluster model for the homogeneous bubble nucleation rather than the classical nucleation theory was extended to predict the bubble nucleation events in elastomers(cross-linked polymers), polymers and polymer which are dissolved in the organic solvent. The classical theory assumes the formation of the critical bubble while the molecular cluster model assumes the critical cluster as for the initiation of the bubble nucleation. For the bubble nucleation in elastomers and polymers, the strain energy overcome by a critical bubble was also considered. The calculation results for the number of bubbles nucleated in elastormers and polymer solutions, which are about 10$\^$8/∼10$\^$12/ bubbles/㎤ are in good agreement with observed ones.

Improved dynamical modeling of the Arches cluster

  • Lee, Joowon;Kim, Sungsoo S.;Shin, Jihye
    • The Bulletin of The Korean Astronomical Society
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    • v.39 no.2
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    • pp.76.2-76.2
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    • 2014
  • The Arches cluster is one of the compact, young, massive star clusters near the center of our galaxy. Since it is located only ~30 pc away in projection from the galactic center (GC), the cluster is an excellent target for studying the effects of star forming environment on, for example, the initial mass function under the extreme condition of GC. To estimate the initial condition of the Arches cluster, we compare our calculation results from the anisotropic Fokker-Planck method with the most recent observational data sets for the surface density and velocity dispersion profiles and the present-day mass function.

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