• Bulletin of the Korean Chemical Society
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• 제22권9호
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• pp.969-974
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• 2001

Model calculations for small molecules Li2, F2, LiF and BF have been performed at the Dirac-Fock level of theory using Dirac-Coulomb and Dirac-Coulomb-Magnetic Hamiltonians with various basis sets. In order to understand what may happen when the relativity becomes significant, the value of c, speed of light, is varied from the true value of 137.036 a.u. to 105 (nonrelativistic case) and also to 50 and 20 a.u. (exaggerated relativistic cases). Qualitative trends are discussed with special emphasis on the effect of the magnetic part of the Breit interaction term. The known relativistic effects on bonding such as the bond length contraction or expansion are demonstrated in this model study. Total energy, $\pi-orbital$ splitting, bond length, bond dissociation energy and dipole moment are calculated, and shown to be modified in a uniform direction by the effect of the magnetic term. Inclusion of the magnetic term raises the total energy, increases the bond length, reduces the $\pi-orbital$ splitting, increases the bond dissociation energy, and mitigates the changes in dipole moment caused by the Dirac term.

• 콘크리트학회논문집
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• 제24권2호
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• pp.129-136
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• 2012

철근 압축이음은 초고층 건축물의 수직 부재에서 거의 모든 층에서 발생되므로, 압축이음 거동에 대한 명확한 이해는 합리적인 이음부 설계에 필수 요소가 된다. 이 연구에서는 압축을 받는 철근이음의 인자별 특성을 분석하기 위해, 부착 또는 지압만 존재하는 압축이음 실험을 수행하였다. 실험 결과 부착과 지압이 함께 존재하는 일반이음에서는 부착과 지압의 상호 간섭으로 각각의 고유 강도가 100% 발현되지는 않았다. 특히 지압은 국부적인 영역에서 발현되므로 중첩으로 인한 감소량이 부착에 비해 컸다. 부착과 지압이 함께 존재하는 일반이음은 부착이음과 지압이음에 비해 동일하중에서 콘크리트와 철근의 상대변위를 줄일 수 있다. 이음 파괴는 콘크리트와 철근 사이의 과도한 상대변위로 인해 발생되므로 일반이음의 강도가 부착이음과 지압이음에 비해 항상 높아진다. 따라서 부착 또는 지압을 제거함으로써 압축이음강도를 향상시킬 수는 없다. 또한 부착이음에서 순수 부착강도는 인장이음의 부착강도와 거의 유사하게 나타났으므로, 압축이음강도가 인장이음강도보다 큰 것은 지압의 영향임을 알 수 있다.

• 대한치과보철학회지
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• 제29권2호
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• pp.67-84
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• 1991

This study was carried out to investiagate the residual stress caused by the mismatch of thermal expansion and the bond failure resistance of alloy-porcelain specimens. The thermal expansions of alloys and porcelains were measured by using a straight push-rod dilatometer. Porcelain glass transition temperatures, thermal expansion coefficients, and thermal compatibility indices were derived from length-versus-temperature curves. Strain gauges were used to experimentally determine the Young's moduli of porcelains, the residual stresses of porcelain surface, and tensile bond strengths of the specimens of simulated porcelain metal crown. The obtained results were as follows: 1. The coefficients of thermal expansion for alloys were the minimum of $13.53\mu/^{\circ}C$ and the maximum of $20.11\mu/^{\circ}C$ in the range of $100\sim600^{\circ}C$ and those for porcelains were the minimum of $7.72\mu/^{\circ}C$ and the maximum of $31.24\mu/^{\circ}C$ in the range of $100\sim500^{\circ}C$. 2. The glass transition temperature of porcelains exhibited the same value without my relation to the healing rate, and the thermal disharmony of porcelain and alloy was more affected by porcelains than by the alloys. 3. The Young's moduli of body porcelains were larger than those of opaque porcelains(P<0.01) 4. It seemed that the residual stresses of porcelain surfaces in the porcelainalloy systems were more affected by porcelains than by alleys. 5. The bond strengths of the procelain-base metal alloy systems were larger than those of the porcelain-precious metal alloy systems. The fracture strengths of porcelain surfaces showed significant difference between porcelains (P<0.05).

• 한국결정학회지
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• 제15권1호
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• pp.1-4
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• 2004

上記 題目의 化合物, $C_{18}H_{20}O_5S$은 한 對非稱 單位內에 한 個의 分子를 가지고 對稱中心室間群 $P\={1}$로 結晶化 되었다. sulfonate 群內ml S 原子는 O와 C 原子들로 이루워진 四面體 環境을 維特하고 있으며, S-O 二重結合 平均 길이는 1.420(2) ${\AA}$이며 S-O 單一結合 길이는 1.598(2) ${\AA}$이고 S-C 結合 길이는 1.742(3) ${\AA}$이다. C(7)-S-O(3)-C(8) 의 비틀림 角은 100.3(2)$^{\circ}$이며, 두 個의 six-membered rings의 二面角은 42.73(20)$^{\circ}$이다.

• 한국공간구조학회논문집
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• 제24권1호
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• pp.29-36
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• 2024

The paper presents the experimental investigation of RC beams retrofitted with Textile Reinforced Mortar (TRM), featuring enhanced bond capacity. Anchoring systems, including an extension of retrofitting length and the use of chemical anchors, are newly employed to improve the structural performance of the RC beam retrofitted with TRM. For the experimental investigation, a total of seven shear-critical RC beams, with and without stirrups, were designed and constructed. The structural behaviors of specimens retrofitted with the proposed TRM methods were compared to those of non-retrofitted specimens or specimens strengthened with conventional TRM methods. Crack pattern, force-displacement relationship, and absorbed energy were evaluated for each specimen. The experimental results indicate a significant improvement in the shear capacity of the RC beam with the proposed retrofitting method. Therefore, it is concluded that the application of an extended retrofitting length and chemical anchors to the TRM retrofitting method can effectively enhance the bond capacity of TRM, thereby improving the shear performance of RC beams.

• Bulletin of the Korean Chemical Society
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• 제17권2호
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• pp.168-172
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• 1996

The variations of the structural detail of layered perovskite-type oxides, Na2Ln2Ti3O10 (Ln=La, Nd, Sm, Gd), have been refined by Rietveld analyses of their powder X-ray diffraction data. Although the c-axis strongly decreases from Ln=La to Nd, Sm, or Gd, the length of Na-O bond along the c-axis that is regarded as the sodium layer spacing is not dependent on the unit cell parameter. Such a behavior is explained by the fact that Na-O bond is in competition with Ti-O one of the perovskite slab. Increased covalency of this Ti-O bond by the lattice contraction leads to weakening of the attaching strength of Na ion. This picture is consistent with the experimental observation that Na ion conductivity of Na2Ln2Ti3O10 increases from Ln=La to Nd, Sm, or Gd despite strong contraction of the unit cell volume.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2011년도 제40회 동계학술대회 초록집
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• pp.78-78
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• 2011

수열합성법을 이용하여 Si(111) 기판에 ZnO 박막을 성장하였다. ZnO 박막의 성장을 위한 씨앗층은 plasma-assisted molecular beam epitaxy (PA-MBE)를 이용하였다. 씨앗층의 표면 거칠기(root-mean-square roughness)는 2.5 nm이고, 씨앗층 위에 성장된 ZnO 박막은 다양한 크기의 입자들로 이루어져 있었으며 두께는 약 $1.8{\mu}m$로 매우 일정하였다. 배향성을 알아보기 위하여 texture coefficient (TC)를 계산해 보았다. TC(100)과 TC(200)은 a-축 배향성을, TC(002)는 c-축 배향성을 나타내는데, c-축으로 더 우세한 배향성(99.5%)을 보였다. TC 비율(TCa-axis/TCc-axis)은 열처리 온도를 $700^{\circ}C$까지 올렸을 때, 점차적으로 증가하였고, 그 이상의 열처리 온도(< $900^{\circ}C$)에서는 급격히 감소하였다. 잔류응력과 Zn와 O의 bond length도 유사한 경향을 보였다. $700^{\circ}C$까지 열처리 온도가 증가함에 따라, 잔류응력은 증가하였고 bond length는 감소하였다. Near-band-edge emission (NBE)의 피크 강도는 열처리 온도가 $700^{\circ}C$까지 증가함에 따라 점차적으로 증가하였다. 열처리 온도가 $800^{\circ}C$ 이상 증가함에 따라 deep-level emission (DLE)가 적색편이(red-shift)하였다. $700^{\circ}C$로 열처리를 한 ZnO 박막이 가장 우세한 (002)방향의 배향성을 보였을 뿐만 아니라 가장 큰 발광효율 증가를 보였다.

• 한국콘크리트학회:학술대회논문집
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• 한국콘크리트학회 2001년도 봄 학술발표회 논문집
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• pp.443-448
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• 2001

This paper presents a bond characteristics of high strength steel reinforced concrete members. High strength steel is what yield strength is higher than that of normal strength steel. So, the amount of flexural steel needed in R.C. members can be decreased. In result, it is expected that the workability and structure quality can improve and man power can minimize. For this purpose, specimens were made and tested with experimental parameters, such as concrete strength, steel diameter and yield strength. The result showed that under same tensile force of steel, in case of substituting normal strength steel with high strength steel, maximum bond stress increased and development length didn't almost change. In addition, the governing equation of bond and bond stress verse slip relationship were derived and compared with test values such as maximum bond stress, slip and bond stiffness.

• 한국자기공명학회논문지
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• 제1권2호
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• pp.95-102
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• 1997

Deuterium quadrupole coupling constant (e2qzzQ/h) of ($\mu$3-C2H)[Co(CO)3]3 was determined by using solid-state deuterium MAS NMR spectroscopy. The small quadrupole coupling constant of bridging methyne unit relative to sp-acethylene in propyne is discussed in terms of the C-H bond length and the negative charge on the carbon.

• Bulletin of the Korean Chemical Society
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• 제7권5호
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• pp.367-371
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• 1986

Dynamic and equilibrium properties of n-alkane chains immersed in solvent molecules have been investigated by a molecular dynamics method. The n-alkane chain is assumed to be a chain of elements (CH$_2$) interconnected by bonds having a fixed bond length and bond angle, but each bond of the chain is allowed to execute hindered internal rotation. We studied the effect of the number of the chain elements (N$_c$ = 10, 15 and 20) on the equilibrium properties of the system, e.g., the pair correlation functions between a chain element and solvent molecules, g$_{cs}$(r), and between the chain elements, g$_{cc}$(r), and the configurational properties such as the mean-square end-to-end distance < R$^2$ >, the mean-square radius of gyration < S$^2$ >, and the eigenvalues of the moment-of-inertia tensor < S$_i^2$ > / < S$^2$ > (i = 1, 2 and 3). We also studied the dynamic properties of the system, e.g., the autocorrelation function C(A;t) where A = R$^2$(t), = S$^2$(t), or = ${\vec{V}}(t)({\vec{V}}$ = velocity of the center of mass), and the diffusion coefficient D. The g$_{cs}$(r)'s are almost equal irrespective of the change of Nc while g$_{cc}$(r) becomes larger as N$_c$ increases; The MD computed configurational properties < R$^2$2 > and < S$^2$ > were found to be a little different from the values calculated from the statistical equations of < R$^2$ > and < S$^2$ >, it may be due to the fact that our model for the MD simulations includes a long-range volume effect. From the < S$_i^2$ > / < S$^2$ >, it is found that the chain molecule has a nearly spherical shape irrespective of the variation of N$_c$. For the dynamic properties we found that the C(R$^2$;t) and C(S$^2$;t) of lower N$_c$ decay faster than those of higher N$_c$, while the C($\vec V$;t) of the center of mass in the chain is weakly dependent on the N$_c$. The center of mass diffusion coefficient D$_c$ decreases as N$_c$ increases while the end point diffusion coefficient D$_e$ is nearly equal irrespective of the change of N$_c$.