• Nuclear Engineering and Technology
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• 제24권1호
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• pp.63-74
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• 1992

뮤온 촉매 핵융합에서 뮤온 분자이온 dt$\mu$의 공명 형성율을 수소밀도와 온도의 함수로서 계산하였다. 부분파 방법을 도입하여 t$\mu$와 중양자 사이의 탄성산란 단면적을 구하였고, 충격근사를 써서 여기상태의 [(dt$\mu$)dee]＊의 천이를 구속상태 형성인자로 도출하였다. 여기상태 dt$\mu$의 탈여기 기작으로는 방사선 방출, 오오져, 그리고 충돌 탈여기를 고려하였고 이들에 대한 탈여기폭과 역붕괴폭을 계산하였다. 계산된 반응폭들로부터 공명 상태 dt$\mu$의 형성단면적을 구하고 이것을 써서 수소의 밀도와 온도의 함수로서 dt$\mu$-d, dt$\mu$-t 공명 형성율을 계산하였다. 계산결과로 부터 공명형성율은 수소의 밀도와 더불어 증가하고, 상대충돌 에너지가 공명에너지와 같아지는 온도에서 최대값을 갖는다는 것을 알았다.

• 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.

• 한국표면공학회지
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• 제53권3호
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• pp.95-103
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• 2020

In this study, the material used in the hot dip galvanizing equipment was poorly corrosion-resistant, so it was performed to solve the cost and time problems caused by equipment replacement. The theoretical calculation was performed using the DV-Xα method(Discrete Variational Local-density approximation method). The alloy (STS4XX series) of the equipment currently used has a martensite phase. Therefore, the theoretical calculation was performed by applying P4 / mmm, which is a tetragonal structure. The new alloy was chosen by designing theoretical values close to existing materials. Considering elements that contribute to corrosion, most have high prices. Therefore, the design was completed by adjusting the content using only the components of the reference material in the theoretical design. The final design alloys were chosen as D6 and D9. Designed D6 and D9 were dissolved and prepared using an induction furnace. After the heat treatment process was completed, the corrosion rate of the alloys was confirmed by using the potentiodynamic polarization test. The surface of the prepared alloys were processed horizontally and then polished to # 1200 using sand paper to perform potentiodynamic polarization test. Domestic products: 4.735 mpy (mils / year), D6: 0.9166 mpy, D9: 0.3372 mpy, alloys designed than domestic products had a lower corrosion rate. Therefore, the designed alloy was expected to have better erosion resistance.

• Bulletin of the Korean Chemical Society
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• 제29권2호
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• pp.438-444
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• 2008

A self-assembled monolayer of 2,2'-bipyridine (22BPY) molecules on Au(111) underwent a structural phase transition when the polarity of a bias voltage was switched in scanning tunneling microscopy (STM) experiments. The nature of two bright spots representing each 22BPY molecule on Au(111) in the high-resolution STM images was identified by calculating the partial density plots for a monolayer of 22BPY molecules adsorbed on Au(111) using tight-binding electronic structure calculations. The stacking pattern of the chains of 22BPY molecules on Au(111) was explained by examining the intermolecular interactions between the 22BPY molecules based on first principles electronic structure calculations for a 22BPY dimer, (22BPY)2. The structural instability of the 22BPY molecule arrangement caused by a change in the bias voltage switch was investigated by estimating the adsorbate-surface interaction energy using a point-charge approximation for Au(111).

• 한국콘텐츠학회논문지
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• 제12권6호
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• pp.1-8
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• 2012

대부분 집적영상 기법에서는 사각형 렌즈 어레이가 사용되고 있으며, 이로 인해 집적된 빛의 분포는 사각격자 형태로 기록된다. 그러나 육각형 렌즈 어레이를 사용하면, 사각형 렌즈 어레이보다 더 높은 밀도의 빛의 분포와 이상적인 원형 렌즈에 가깝게 이미지를 기록 또는 재생 할 수 있다[4]. 육각형 렌즈 어레이 요소영상을 병렬 처리 기법을 사용하여 생성하기 위해서는 요소영상을 구성하는 각 화소에 대하여 그 화소가 속할 육각형 렌즈를 결정해야하고, 이 과정은 화면에 출력되는 모든 화소에 대하여 진행 되며 많은 계산량이 요구된다. 본 논문에서는 3D 볼륨 데이터를 사용하여 육각형 렌즈 어레이에 대한 요소영상을 생성하기 위해 OpenCL를 사용한 병렬 처리 기법을 제안한다. 제안 된 방법을 위한 실험에는 Male [$128{\times}256{\times}256$화소] 볼륨데이터를 사용하였으며, 실험 결과 $20{\times}20$개의 육각형 렌즈 어레이에 대해 요소영상을 초당 20~60장 생성할 수 있었다.

• Journal of Magnetics
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• 제12권3호
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• pp.97-102
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• 2007

We have investigated the electronic structures and magnetism of a full Heusler alloy $Co_2CrGa(001)$ surface by using the all-electron full-potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). We considered two types of different terminations: the Co-terminated (Co-Term) and the CrGa-terminated (CrGa-Term) surfaces. From the calculated layer-projected density of states (LDOS), we found that the surface of the CrGa-Term shows nearly half-metallic character while that of the Co-Term is far from the half-metallic. For the Co-Term, the surface Co atom moves down to the bulk region by $0.05{\AA}A$, while the subsurface Cr and Ga atoms move up to the surface layer by 0.05 and $0.01{\AA}$, respectively. For the CrGa-Term, there is a large inward relaxation of the surface Ga atom $(0.07{\AA})$, but the relaxation of the surface Cr atom is very small $(0.01{\AA})$. The relaxations affect not much to the overall shapes of DOS for both terminations, but make the surface states of the surface Cr and Ga atoms for the CrGa-Term shift to higher energy that enhances the nearly half-metallic character of the CrGa-Term. The magnetic moments of the surface $Cr(2.98{\mu}_B)$ in the CrGa-Term and the surface $Co(1.17{\mu}_B)$ in the Co-Term were much increased compared to those of the inner-layers $(1.79\;and\;0.77{\mu}_B)$, respectively, while that of the subsurface Cr atom in the Co-Term was decreased to $1.19{\mu}_B$.

• Bulletin of the Korean Chemical Society
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• 제30권1호
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• pp.205-213
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• 2009

This study reports on the geometry optimizations and electronic structure calculations for methyl pyropheophorbide (MPPa), tropolonyl methyl pyropheophorbides (TMPPa, ITMPPa), and cationic tropolonyl methyl pyropheophorbides ($TMPPa^+{{\cdot}BF_4}^-,\;ITMPPa^+{{\cdot}BF_4}^-,\;TMPPa^+,\;and\;ITMPPa^+$) using Local Spin Density Approximation (LSDA/ 6-31G*) and the Restricted Hatree-Fock (RHF/6-31G*) level theory. From the calculated results, we found that substituted cationic tropolonyl groups have larger structural effects than those of substituted neutral tropolonyl groups. The order of structural change effects is $ITMPPa^+ > ITMPPa^+{{\cdot}BF_4}^-$ > ITMPPa, as a result of the isopropyl group. Because it is an electron-releasing group, the substituted isopropyl group electronic effect on a 3-position tropolone increases the Highest Occupied Molecular Orbital and Lowest Unoccupied Molecular Orbital (HOMO-LUMO) energy gap. It was constituted that the larger the cationic characters of these photosensitizers, the smaller the HOMOLUMO band gaps are. The orbital energies of the cationic systems and the ions are stronger than those of a neutral system because of a strong electrostatic interaction. However, this stabilization of orbital energies are counteracted by the distortion of chlorin macrocycle, which results in a large destabilization of chlorin-based compound HOMOs and smaller destabilization of LUMOs as shown in TMPPa (ITMPPa), $TMPPa^+{{\cdot}BF_4}^- (ITMPPa^+{{\cdot}BF_4}^-),\;and\;TMPPa^+\;(ITMPPa^+)$ of Figure 6 and Table 6-7. These results are in reasonable agreement with normal-coordinate structural decomposition (NSD) results. The HOMO-LUMO gap is an important factor to consider in the development of photodynamic therapy (PDT).

• 천문학논총
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• 제30권2호
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• pp.397-399
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• 2015

Recently, cosmic voids have been recognized as a powerful cosmological probe. A number of studies have focused on the effects of the gravitational lensing by voids on the temperature (and in some cases polarization) anisotropy of the Cosmic Microwave Background (CMB) background at relatively large to medium scales, l ~ 1000. Many of these studies attempt to explain the unusually large cold spot in CMB temperature maps and dynamical evidence of dark energy via detections of late-time integrated Sachs Wolfe (ISW) effect. Here, the effects of lensing by voids on the CMB temperature anisotropy at small scales, up to l = 3000, will be investigated. This work is carried out in the light of the benefits of adding large catalogues of cosmic voids, to be identified by future large galaxy surveys such as EUCLID and LSST, to the analysis of CMB data such as those from Planck mission. Our numerical simulation utilizes two methods, namely, the small-de ectionangle approximation and full ray-tracing analysis. Using the fitted void density profiles and radius (RV ) distribution available in the literature from N-body simulations, we simulated the secondary temperature anisotropy (lensing) of CMB photons induced by voids along a line of sight from redshift 0 to 2. Each line of sight contains approximately 1000 voids of effective radius $RV_{,eff}=35h^{-1}Mpc$ with randomly distributed radial and projected positions. Both methods are used to generate temperature maps. The two methods will be compared for their accuracy and effciency in the implementation of theoretical modeling.

• 한국통신학회논문지
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• 제17권9호
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• pp.972-981
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• 1992

본 논문에서는 전력선 채널에서 DS/SSMA BPSK 통신 시스템의 전형 및 하드리미팅 상관 수신기의 성능을 분석하였다. Chan의 잡음 모델을 이용하여 전력전에서 발생하는 강한 임펄스성 잡음을 배경 잡음에 대한 임펄스성 잡음의 전력 스펙트럼 밀도비 $(N_1/N_b)$, 데이터 폭에 대한 임펄스성 잡음 폭의 비(f). 임펄스성 잡음의 발생주기에 대한 임펄스 잡음 폭 (DF)등의 파라미터로 모델링하여, 각 파라미터 변화에 따른 시스템의 성능을 분석하고, 다중접속 간섭 잡음을 가우시안 근사화하여 각 수신기의 다중접속 능력을 평가하였다. 분석 결과 $N_1/N_b$가 작고 f가 1에 가까운 경우 전형 상관 수신기의 성능이 더 우수했으나, $N_1/N_b$가 증가함에 따라 하드리미팅 상관 수신기가 비트 오율 및 다중 접속 능력면에서 전형 상관 수신기보다 더 우수한 성능을 나타냈다.

• Advances in nano research
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• 제7권3호
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• pp.209-221
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• 2019

Graphene, with impressive electronic properties, have high potential in the microelectronic field. However, graphene itself is a zero bandgap material which is not suitable for digital logic gates and its application. Thus, much focus is on graphene nanoribbons (GNRs) that are narrow strips of graphene. During GNRs fabrication process, the occurrence of defects that ultimately change electronic properties of graphene is difficult to avoid. The modelling of GNRs with defects is crucial to study the non-idealities effects. In this work, nearest-neighbor tight-binding (TB) model for GNRs is presented with three main simplifying assumptions. They are utilization of basis function, Hamiltonian operator discretization and plane wave approximation. Two major edges of GNRs, armchair-edged GNRs (AGNRs) and zigzag-edged GNRs (ZGNRs) are explored. With single vacancy (SV) defects, the components within the Hamiltonian operator are transformed due to the disappearance of tight-binding energies around the missing carbon atoms in GNRs. The size of the lattices namely width and length are varied and studied. Non-equilibrium Green's function (NEGF) formalism is employed to obtain the electronics structure namely band structure and density of states (DOS) and all simulation is implemented in MATLAB. The band structure and DOS plot are then compared between pristine and defected GNRs under varying length and width of GNRs. It is revealed that there are clear distinctions between band structure, numerical DOS and Green's function DOS of pristine and defective GNRs.