• 제목/요약/키워드: theory lattice

검색결과 164건 처리시간 0.035초

Freudenthal의 수학화 이론에 근거한 제 7차 초등수학 교과서 5-가 단계 넓이 단원의 재구성 (A Reconstruction of Area Unit of Elementary Mathematics Textbook Based on Freudenthal's Mathematisation Theory)

  • 유미현;강흥규
    • 한국초등수학교육학회지
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    • 제13권1호
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    • pp.115-140
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    • 2009
  • Freudenthal은 수학화를 핵심 개념으로 하는 현실주의 수학 교육론을 주창하였다. 수학화란 현실 안에 있는 여러 현상들을 수학적인 수단을 사용하여 조직함으로써 현실에 질서를 부여하는 활동을 말한다. 본 연구에서는 Freudenthal의 수학화 이론을 바탕으로 제 7차 초등 수학 교과서 5-가 단계의 넓이 단원을 재구성하여 실험적인 지도만을 작성한 다음, 이를 통하여 교수 실험을 실시함으로써, 수학화를 통한 넓이의 지도 방안의 효과와 더불어 학생들의 넓이 개념과 공식에 대한 이해 실태를 분석하였다. 그 결과, 넓이의 개념 이해 측면에서는 실험반 학생들이 우수하였으나, 넓이의 계산 측면에서는 유의미한 차이가 없는 것으로 나타났다.

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리튬 이온 전지용 리튬 코발트 산화물 양극에서의 삽입 전압과 리튬 이온 전도 (Intercalation Voltage and Lithium Ion Conduction in Lithium Cobalt Oxide Cathode for Lithium Ion Battery)

  • 김대현;김대희;서화일;김영철
    • 전기화학회지
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    • 제13권4호
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    • pp.290-294
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    • 2010
  • 본 연구는 밀도 범함수 이론을 이용하여 Li이온전지에 사용되는 Li코발트 산화물에서의 Li이온 삽입 전압과 전도에 관한 것이다. Li이온은 Li코발트 산화물 원자구조의 각 층을 1개씩 채우거나 한 층을 다 채우고 다음 층을 채울 수 있다. 평균 삽입 전압은 3.48V로 동일하나, 전자가 후자보다 더 유리하였다. 격자상수 c는 Li농도가 0.25보다 작을 때는 증가하였으나, 0.25보다 클 때는 감소하였다. Li농도가 증가하면, Li코발트 산화물에서의 Li이온 전도를 위한 에너지 장벽은 증가하였다. Li이온전지가 방전 중 출력 전압이 낮아지는 현상은 Li농도 증가에 따른 삽입 전압의 감소와 전도 에너지 장벽의 증가로 설명할 수 있었다.

분무주조 고속도공구강의 고온변형 거동에 관한 연구 (A Study on High Temperature Deformation Behavior of Spray-Formed High Speed Steels)

  • 하태권;정재영
    • 소성∙가공
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    • 제27권2호
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    • pp.123-129
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    • 2018
  • In the present study, the mechanical behavior of the spray-formed high speed steel was investigated employing the internal variable theory of inelastic deformation. Special attention was focused on the effect of the microstructure evolution during the hot working process, such as the distribution of carbides to provide a basic database for the production condition of high speed steels with excellent properties. The billets of high speed steel ASP30TM were fabricated by a spray forming, and the subsequently hot-rolled and heat-treated process to obtain uniformly distributed carbide structure. As noted the spray-formed high speed steel showed relatively coarser carbides than hot-rolled and heat-treated one with fine and uniformly distributed carbide structure. The step strain rate tests and high temperature tensile tests were carried out on both the spray-formed and the hot-rolled specimens, to elucidate their high temperature deformation behavior. The spray-formed high speed steel showed much higher flow stress and lower elongation than the hot-rolled and heat-treated steel. During the tensile test at $900^{\circ}C$, the interruption of the deformation for 100 seconds was conducted to reveal that the recovery was a main dynamic deformation mechanism of spray formed high speed steel. The internal variable theory of the inelastic deformation was used to analyze data from the step strain rate tests, revealing that the activation energies for hot deformation of as-spray-formed and hot-worked steels, which were 157.1 and 278.9 kJ/mol, and which were corresponding to the dislocation core and lattice diffusions of ${\gamma}-Fe$, respectively.

First-principles Study of Graphene/Hexagonal Boron Nitride Stacked Layer with Intercalated Atoms

  • Sung, Dongchul;Kim, Gunn;Hong, Suklyun
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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    • pp.185.2-185.2
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    • 2014
  • We have studied the atomic and electronic structure of graphene nanoribbons (GNRs) on a hexagonal boron nitride (h-BN) sheet with intercalated atoms using first-principles calculations. The h-BN sheet is an insulator with the band gap about 6 eV and then it may a good candidate as a supporting dielectric substrate for graphene-based nanodevices. Especially, the h-BN sheet has the similar bond structure as graphene with a slightly longer lattice constant. For the computation, we use the Vienna ab initio simulation package (VASP). The generalized gradient approximation (GGA) in the form of the PBE-type parameterization is employed. The ions are described via the projector augmented wave potentials, and the cutoff energy for the plane-wave basis is set to 400 eV. To include weak van der Waals (vdW) interactions, we adopt the Grimme's DFT-D2 vdW correction based on a semi-empirical GGA-type theory. Our calculations reveal that the localized states appear at the zigzag edge of the GNR on the h-BN sheet due to the flat band of the zigzag edge at the Fermi level and the localized states rapidly decay into the bulk. The open-edged graphene with a large corrugation allows some space between graphene and h-BN sheet. Therefore, atoms or molecules can be intercalated between them. We have considered various types of atoms for intercalation. The atoms are initially placed at the edge of the GNR or inserted in between GNR and h-BN sheet to find the effect of intercalated atoms on the atomic and electronic structure of graphene. We find that the impurity atoms at the edge of GNR are more stable than in between GNR and h-BN sheet for all cases considered. The nickel atom has the lowest energy difference of ~0.2 eV, which means that it is relatively easy to intercalate the Ni atom in this structure. Finally, the magnetic properties of intercalated atoms between GNR and h-BN sheet are investigated.

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유체-구조 반복해석법에 의한 유연 프로펠러의 설계 알고리듬 개발 (Design Algorithm of Flexible Propeller by Fluid-Structure Interactive Analysis)

  • 장현길;노인식;홍창호;이창섭
    • 대한조선학회논문집
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    • 제49권6호
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    • pp.528-533
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    • 2012
  • Flexible composite propellers are subject to large deformation under heavy loading, and hence the hydrodynamic performance of deformed propeller might deviate from that of the metallic propeller under negligible deformation. To design the flexible propeller, it is therefore necessary to be able to evaluate the structural response of the blades to the hydrodynamic loadings, and then the influence of the blade deformation upon the hydrodynamic loadings. We use the lifting-surface-theory-based propeller analysis and design codes in solving the hydrodynamic problem, and the finite-element-method program formulated with 20-node iso-parametric solid elements for the analysis of the structural response. The two different hydrodynamic and structural programs are arranged to communicate through the carefully-designed interface scheme which leads to the derivation of the geometric parameters such as the pitch, the rake and the skew distributions common to both programs. The design of flexible propellers, suitable for manufacturing, is shown to perform the required thrust performance when deformed in operation. Sample design shows the fast iteration scheme and the robustness of the design procedure of the flexible propellers.

Robustness Evaluation of Tactical Network based on SNA

  • Park, Ji-Hye;Yoon, Soung-woong;Lee, Sang-Hoon
    • 한국컴퓨터정보학회논문지
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    • 제24권10호
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    • pp.205-213
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    • 2019
  • 네트워크 강건성은 네트워크의 가장 중요한 요구특성 중 하나이다. 전술 통신 네트워크에서 강건성은 공격 단계를 지속적으로 유지하는 핵심 기능이다. TICN이라고 하는 육군의 전술 통신 네트워크는 격자형과 트리형 네트워크 토폴로지가 혼합되어 있으며, 트리형 구조는 네트워크 강건성에서 다소 약하다. 따라서 본 논문에서는 그래프 이론을 적용하여 현재 전술 통신 네트워크의 취약점인 단절점과 브리지를 탐색하고 이 부분을 개선하기 위해 기존 네트워크에 링크를 추가하여 네트워크를 생성한다. 이후 SNA 기반 네트워크 강건성 평가를 위해 핵심 노드를 단절하여 각 네트워크의 지표 변화를 관찰한다. 실험 결과, 보완된 네트워크의 강건성이 기존 운용개념 하의 네트워크 구조보다 개선되었음을 보여준다.

Mechanical and thermodynamic stability, structural, electronics and magnetic properties of new ternary thorium-phosphide silicides ThSixP1-x: First-principles investigation and prospects for clean nuclear energy applications

  • Siddique, Muhammad;Iqbal, Azmat;Rahman, Amin Ur;Azam, Sikander;Zada, Zeshan;Talat, Nazia
    • Nuclear Engineering and Technology
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    • 제53권2호
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    • pp.592-602
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    • 2021
  • Thorium compounds have attracted immense scientific and technological attention with regard to both fundamental and practical implications, owing to unique chemical and physical properties like high melting point, high density and thermal conductivity. Hereby, we investigate the mechanical and thermodynamic stability and report on the structural, electronic and magnetic properties of new silicon-doped cubic ternary thorium phosphides ThSixP1-x (x = 0, 0.25, 0.5, 0.75 and 1). The first-principles density functional theory procedure was adopted within full-potential linearized augmented plane wave (FP-LAPW) method. The exchange and correlation potential terms were treated within Generalized-Gradient-Approximation functional modified by Perdew-Burke-Ernzerrhof parameterizations. The proposed compounds showed mechanical and thermodynamic stable structure and hence can be synthesized experimentally. The calculated lattice parameters, bulk modulus, total energy, density of states, electronic band structure and spin magnetic moments of the compounds revealed considerable correlation to the Si substitution for P and the relative Si/P doping concentration. The electronic and magnetic properties of the doped compounds rendered them non-magnetic but metallic in nature. The main orbital contribution to the Fermi level arises from the hybridization of Th(6d+5f) and (Si+P)3p states. Reported results may have potential implications with regard to both fundamental point of view and technological prospects such as fuel materials for clean nuclear energy.

A first-principles theoretical investigation of the structural, electronic and magnetic properties of cubic thorium carbonitrides ThCxN(1-x)

  • Siddique, Muhammad;Rahman, Amin Ur;Iqbal, Azmat;Azam, Sikander
    • Nuclear Engineering and Technology
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    • 제51권5호
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    • pp.1373-1380
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    • 2019
  • Besides promising implications as fertile nuclear materials, thorium carbonitrides are of great interest owing to their peculiar physical and chemical properties, such as high density, high melting point, good thermal conductivity. This paper reports first-principles simulation results on the structural, electronic and magnetic properties of cubic thorium carbonitrides $ThC_xN_{(1-x)}$ (X = 0.03125, 0.0625, 0.09375, 0.125, 0.15625) employing formalism of density-functional-theory. For the simulation of physical properties, we incorporated full-potential linearized augmented plane-wave (FPLAPW) method while the exchange-correlation potential terms in Kohn-Sham Equation (KSE) are treated within Generalized-Gradient-Approximation (GGA) in conjunction with Perdew-Bruke-Ernzerhof (PBE) correction. The structural parameters were calculated by fitting total energy into the Murnaghan's equation of state. The lattice constants, bulk moduli, total energy, electronic band structure and spin magnetic moments of the compounds show dependence on the C/N concentration ratio. The electronic and magnetic properties have revealed non-magnetic but metallic character of the compounds. The main contribution to density of states at the Fermi level stems from the comparable spectral intensity of Th (6d+5f) and (C+N) 2p states. In comparison with spin magnetic moments of ThSb and ThBi calculated earlier with LDA+U approach, we observed an enhancement in the spin magnetic moments after carbon-doping into ThN monopnictide.

연료전지 산소환원반응 향상 위한 백금 촉매의 구조적 특성: 밀도범함수이론 연구 (Fundamental Mechanisms of Platinum Catalyst for Oxygen Reduction Reaction in Fuel Cell: Density Functional Theory Approach)

  • 강석호;이창미;임동희
    • 대한환경공학회지
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    • 제38권5호
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    • pp.242-248
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    • 2016
  • 연료전지에서의 전체 반응 속도는 산화전극에서 일어나는 수소산화반응에 비해 그 반응 속도가 현저히 느린 환원전극에서의 산소환원반응(oxygen reduction reaction, ORR)에 의해 결정된다. ORR 효율성 평가를 용이하게 하는 지표(descriptor)로서 촉매 표면에서의 산소원자 흡착강도를 활용하는데, 산소흡착강도는 촉매 표면의 기하학적 구조 변형에 따른 전자구조를 변형함으로써 조절할 수 있다. 이에 본 연구에서는 백금 표면의 원자모델을 이용하여 표면의 기하학적 구조가 산소흡착강도에 미치는 영향과 그 원인을 밀도범함수이론(density functional theory, DFT) 계산을 통해 분석하였다. 먼저, 기하학적 구조를 인위적으로 변형시킨 Pt(111) 표면에서의 산소흡착반응을 밀도범함수이론 계산을 이용해 분석함으로써 기하학적 구조변화가 산소흡착강도에 미치는 영향(strain effect)을 확인하였다. 최적화한 Pt 격자상수($3.977{\AA}$)에 ${\pm}1%$ 간격의 변화율을 적용하고 각 변화율마다의 산소흡착강도를 계산하였는데, Pt-Pt 원자 간 거리가 멀어질수록 산소흡착강도가 강해지는 것을 확인하였다. 이는 원자 간 거리가 증가할수록 d-band center가 페르미 준위(Fermi level)쪽으로 이동하게 되며, 이로써 일부 반결합 오비탈(anti-bonding orbitals)에 전자가 채워지지 않기 때문에 전체적으로 반결합 오비탈이 형성될 가능성이 적어지기 때문이다. 결과적으로, 순수한 백금이 가진 격자상수($3.9771{\AA}$) 보다 약 2~4% 작은 백금 표면 격자크기를 가질 수 있도록 유도할 수 있다면 산소흡착강도가 적절히 약하게 조절될 수 있으며, 이는 순수한 백금보다 더 향상된 ORR 성능을 가진 촉매물질 개발 연구를 위한 기초자료로서 활용할 수 있을 것이다.

DIRICHLET FORMS AND DIFFUSION PROCESSES RELATED TO QUANTUM UNBOUNDED SPIN SYSTEMS

  • Lim, Hye-Young;Park, Yong-Moon;Yoo, Hyun-Jae
    • 대한수학회지
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    • 제33권4호
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    • pp.823-855
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    • 1996
  • We study Dirichlet forms and the associated diffusion processes for the Gibbs measures related to the quantum unbounded spin systems (lattice boson systems) interacting via superstable and regular potentials. This work is a continuation of the author's previous study on the classical systems [LPY] to the quantum cases. In [LPY], we constructed Dirichlet forms and the associated diffusion processes for the Gibbs measures of classical unbounded spin systems. Furthermore, we also showed the essential self-adjointness of the Dirichlet operator and the log-Sobolev inequality for any Gibbs measure under appropriate conditions on the potentials. In this atudy we try to extend the results of the classical systems to the quantum cases. Because of some technical difficulties, we are only able to construct a Dirichlet form and the associated diffusion process for any Gibbs measure of the quantum systems. We utilize the general scheme of the previous work on the theory in infinite dimensional spaces [AH-K1-2, AKR, AR1-2, Kus, MR, Ro, Sch] and the ideas we employed in our study of the calssical systems ]LPY].

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