• Proceeding of EDISON Challenge
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• 2015.03a
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• pp.124-131
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• 2015

단백질의 구조를 예측하기 위해서 구조가 알려져 있는 단백질 중 진화적으로 유사한 단백질의 구조 정보를 이용하는 Template Based Modeling (TBM) 방법이 현재까지 가장 효과적으로 많이 사용되고 있다. 단백질의 삼차 구조를 이루는 단위 중에서도 고리 부분은 효소 활성 부위 또는 리간드 결합 부위 등으로 작용하여 단백질의 생물학적 기능에 연관되어 있다. 하지만 진화적으로 가까운 단백질이어도 고리 부분은 서열이 잘 보존되지 않아 충분한 구조 정보를 주지 못하고 TBM 방법으로 고리 구조까지 정확히 예측을 할 수 없다. 따라서 TBM 방법으로 예측한 구조의 고리 부분을 주형 정보에 의존하지 않고 다시 예측하여 전체 구조를 정밀화하는 과정이 중요하다. 이번 연구에서는 이를 위해 자유 에너지를 고려한 고리 구조 예측 방법을 적용하여 그 효과를 검증해보았다.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.24 no.1
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• pp.55-60
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• 2011

In the present work, isogeometric analysis in linear elasticity problem is conducted using the basis functions from NURBS. The objectives of isogeometric analysis introduced is to integrate both geometric modeling(CAD) and computational analysis(CAE), and this can be accomplished from direct usage of geometric modeling by NURBS as the computational mesh. The merit of the isogeometry analysis is that NURBS surface are able to represent exact geometry from the control points and knot vectors, and also subsequent refinement is relatively simple relatively. In order to verify the computer codes developed in this study, it has been applied to two structural models of which geometry are simple ; 1) circular cylinder subjected to the constant internal pressure loading, 2) square plate with circular hole at center subjected to uniform tension. The exact solutions of these two models are available. Convergence of the approximate solutions by the present code for the isogeometry analysis are investigated by mesh refinement with inserting knots (h-refinement) and by mesh refinement with order elevation of the basis functions (p-refinement).

• Proceedings of the Korean Society of Precision Engineering Conference
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• 2004.05a
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• pp.155-155
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• 2004

최근 집중 육성산업으로 분류되어 연구 및 투자가 되고 있는 반도체, 정보통신, 바이오산업, 디스플레이 등에서 초정밀화와 저비용, 대량생산을 하기 위해서 기존의 공정을 대체할 수 있는 새로운 나노공정기술의 요구가 급증하고 있다 최근에는 극초단파 특성으로 인하여 극미세 형상을 가공할 수 있는 펨토초 레이저(femto second laser)를 나노공정에 적용하는 다양한 연구가 진행되고 있다. 특히, 기존의 쾌속조형공정을 응용하여 다른 공정으로는 제작이 불가능한 나노 스케일에서 3차원 자유곡면을 가지는 구조물을 제작할 수 있는 공정개발에 대하여 다양한 연구가 진행되고 있다.(중략)

• Proceedings of the KSME Conference
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• 2003.11a
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• pp.1939-1943
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• 2003

The precise structural analysis of $SnO_{2}$ thin film, which was prepared by PECVD and thickness 2400 ${\AA}$, was tried to do the structural refinement using X -ray diffraction data. The observed diffraction patterns of $SnO_{2}$ thin film had the strongly preferred orientation effect. WIMV method was used to correct the preferred orientation effect. The final weighted R-factor, $R_{WD}$ was 7.92 %. The lattice parameters, a = b == 4.7366(1) ${\AA}$ and c = 3.1937(1) ${\AA}$, were almost in accordance with ones of $SnO_{2}$ powder.

• Korean Journal of Crystallography
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• v.4 no.2
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• pp.54-62
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• 1993

The crystal shnture of dehydrated fully Cd2+-exchanged zeolite A evacuated at 2 × 10-6 Torr and 650℃ (a:12.189(2) A) and of its iodine sorption corrplex (a:12.168(2)A) have been netsmlmn by single uystal x-ray diffraction techliques in the cubic space group hkTn at 21(1)℃. The strutures were refined to final error indices, Ri:0.057 and R2 =0.063 with 186 reflections and Rl:0.082 and R2:0.085 with 181 reflections, respectively, for which 1>3σ(In both structure, six lie at two distinguished threefold axes of unit cell ten the crystal structure of an iodine sorption complex of Cd6-A four Cd2+ ions are recessed 0.69(1) A into the large cavity to complex each with from the (111) plane of 0(3), whereas two Cd2+ ions recessed 0.68(1) A into the sodalite unit Awximately 4.0 l3ions per nit cell are sorbed. Each bridge between a Cd2+ ion and 8-ring oxygens ((I-I-I)= 117(1) ˚ and 0(1)-I(1)-I(2)=172(1)). The near linear I-I-0 angle and its interatomic distance (I-0=3.57(3) A) are indicative of a weak charge transfer interacticn between the frarrework oxygen and iodine. The existence of In3 inside the large cavity indicates that the If ions and H ions may be produced by reaction of In vapor with water molecules which maybe associated with Cd2+ ions in partially dehydrated Cd6-A In3- ions may be produced by the combination of I- and I2.

• Korean Journal of Crystallography
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• v.1 no.2
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• pp.76-83
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• 1990

The structures of dehydrated fully Ca2+ _exchanged zeolite A (a: 12.2a3(2) A and of its iodine sorption complex (a=12.258(2) A) have been determined by single-crystal X-ray diffraction methods in the cubic space group. Pm3m at 21(1)℃.the structures were refined to final R(weighted) indices of 0.081 with 206 reflections and 0.084 with 173 reflections, respectively for which I>3 w (I). In each structure. six divalent cations are located on three different theefold axes associated with 6-ring oxygens. Dehydrated Ca2+_A sorbs ca. 6.0 diiodine molecules per unit cell at 80℃(vapor pressure of I: is ca. 14.3 Torr). Each iodine molecule makes a close approach. along its ahs to framework oxygen atom with I-I distance of 2.71(2) A, I-O distance of 3.32(3) k. and I-I-0=180℃. The result indicates that diiodine molecule forms charge transfer complex with framework oxygen.

• Proceedings of the Korean Society of Precision Engineering Conference
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• 1991.11a
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• pp.32-37
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• 1991

최근 컴퓨터 및 제어 기술의 도움으로 기계 가공 분야에 있어 자동화, 정밀화, 그리고 무인화가 급속히 추진되고 있다. 이어 따라 대형화되고 복잡해지는 공작기계의 구조 해석과 정밀가공의 필요에 의해 동절삭 과정에 대한 관심이 더 한층 높아지게 되었다.(중략)

• Journal of the Korean Chemical Society
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• v.34 no.2
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• pp.130-135
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• 1990

The title compound (C13H17NO2S) is monoclinic, space group P21/a, with a = 13.756 (3), b = 9.310(4), c = 21.305(3) $\AA$, $\beta$ = 95.0。, Z = 8, V = 2718.11 $\AA$3, Dc = 1.23$g·{\cdot}cm-3$, (Mo k$\alpha$) = 0.71069$\AA$,$\mu$ = 2.18 cm-1, F(000) = 1071.86, T = 298, R = 0.085 for 2935 unique observed reflections with I >2.0$\sigma$(I). The structure was solved by direct methods. The C-H bond lengths and the methyl groups are fixed and refined as their ideal geometry by allowing to ride on the parent atoms. Both molecules A and B have almost same structures except for two terminal ethyl groups. The ethylene-like skeleton including the nitro group in one molecule is nearly perpendicular to the plane of the methylbenzene group and two ethyl groups form a cis-type structure which has the dfferent orientations between two molecules; in the molecule A, two terminal methyl groups being the opposite directional arrangement against the plane of its skeleton, while in the B, with the same directional structure from its plane. The molecules in the crystal are packed together by non-bonded van der Waals forces.

• Computational Structural Engineering
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• v.5 no.1
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• pp.11-14
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• 1992

최근 교량공학자들의 공통관심사는 초대형 구조물을 가설하고, 적절한 유지관리에 의해 기존 구조물의 공용수명을 연장시키는 것 등을 들 수 있다. 고성능 컴퓨터 산업의 발달로 인한 구조해석의 정밀화, 경량골재 및 고강도 재료의 개발, 용접성과 시공법의 발달 및 초대형 크레인과 같은 건설기자재의 개발 등으로 인하여 초대형 구조물의 가설은 외국에서 뿐만 아니라 국내에서도 가능하게 되었다. 그리고 구조물의 공용수명을 연장하기 위해서 최근에는 첨단계측장비와 신호처리기술, 신뢰성이론, 피로파괴이론 및 system identification technique 등의 발달로 인해 비교적 정확하게 교량구조물의 손상부위와 손상정도의 파악이 가능하게 되었다. 그리하여 가까운 시일내에 100년 이상의 공용수명을 갖는 초대형 교량이 출현될 것으로 전망된다. 따라서 교량 공학자들은 앞으로 장대교량의 설계와 시공 및 유지관리의 완전 국산화를 위한 연구에 더욱 박차를 가해야 할 것이다.

• Korean Journal of Crystallography
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• v.9 no.1
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• pp.48-52
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• 1998

The new Nd3Ba5Co4O15 phase was synthesized with Nd2O3, BaCO3, and Co3O4 by solid state reaction at 1200℃ with intermittent grinding. The crystal structure of Nd3Ba5Co4O15 has been refined on X-ray diffraction powder data by means of Rietveld method. The starting model was based on the Nd3.43Ba4.42Co2.23Al1.77O15 structure. The crystal system was hexagonal, space group P63mc(186), a=11.629(3) Å, c=6.842(2) Å. Final R values were Rwp=0.097 and Rp=0.068. The structure consists of clusters of CoVICoIV3O15 in which a CoVI octahedron shares corners with 3CoIV tetrahedra.