• Title/Summary/Keyword: Van der Waals Forces

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The Crystal and Molecular Structure of $N_1$-Cyclohexyl-$N_1$-(o-Chlorobenzal) Imino Thiourea

  • Koo, Chung-Hoe;Kim, Hojing;Kim, Hoon-Sup;Chang, Chong-Whan
    • YAKHAK HOEJI
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    • v.21 no.3
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    • pp.146-158
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    • 1977
  • N$_{1}$-cyclohexyl-$N_{2}$-(o-chlorobenzal) imino thiourea, $C_{14}$H$_{18}$N$_{3}$SCI, crystallizes in $C_{2}$/c, with a=19.68, b=7.74, c=20.42$\AA$, ${\beta}$=$92.$8^{\circ}$ and eight formula units in the unit cell. The structure was solved by the study of Patterson sections, calculated from three-dimensional film data, and was refined by block-diagonal least-squares methods to R=0.16 based on 1288 independent intensity data. The rest atoms of N$_{1}$-cyclohexyl-$_{2}$-(o-chlorobenzal) imino thiourea molecule excluding cyclohexan ring and chlorine atoms approximately lie on a plane. A pair of molecules related by the symmetry centers are connected directly with the N-H.......S hydrogen bonds. Apart from the hydrogen bonding system the structure is held together by the van der Waals forces.

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The crystal and molecular structure of sulfisoxazole

  • Koo, Chung-Hoe;Shin, Hyun-So;Cho, Sung-Il
    • Archives of Pharmacal Research
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    • v.5 no.2
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    • pp.79-86
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    • 1982
  • Sulfisoxazole, $C-{11}H_{13}N_{3}S$, crystallized in the orthohombic system, space group Pbca, with a = 14.492(1), b = 11.563(1), c = 14.900(2) $\AA$ and Z = 8. Intensities for 1867(1360 observed) unique reflections were measured on a four-circle diffractometer wirh CuKa radiation ($\lambda$ = 1.5418$\AA$). The structure was solved by heavy atom methods and refined by full-matrix least-squares procedures to a final R of 0.094. The benzene ring plane makes an angle of $68^{\circ}C$ with the plane of the isoxazole ring, which is plannar. The conformational angle formed by the torsional angle C(4)-S-N(2)-C(7) is $54^{\circ}C$. There are two intermolecular hydrogen bonds in the structure. One of them is of the type N-H...H with the length 2.915$\AA$. Thus two dimensional networks of hydrogen bonds form infinite moelcular sheets parallel to the (001) plane. Adjacent sheets are bound together by van der Waals forces.

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Theoretical analysis of chirality and scale effects on critical buckling load of zigzag triple walled carbon nanotubes under axial compression embedded in polymeric matrix

  • Bensattalah, Tayeb;Zidour, Mohamed;Daouadji, Tahar Hassaine;Bouakaz, Khaled
    • Structural Engineering and Mechanics
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    • v.70 no.3
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    • pp.269-277
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    • 2019
  • Using the non-local elasticity theory, Timoshenko beam model is developed to study the non- local buckling of Triple-walled carbon nanotubes (TWCNTs) embedded in an elastic medium under axial compression. The chirality and small scale effects are considered. The effects of the surrounding elastic medium based on a Winkler model and van der Waals' (vdW) forces between the inner and middle, also between the middle and outer nanotubes are taken into account. Considering the small-scale effects, the governing equilibrium equations are derived and the critical buckling loads under axial compression are obtained. The results show that the critical buckling load can be overestimated by the local beam model if the small-scale effect is overlooked for long nanotubes. In addition, significant dependence of the critical buckling loads on the chirality of zigzag carbon nanotube is confirmed. Furthermore, in order to estimate the impact of elastic medium on the non-local critical buckling load of TWCNTs under axial compression, the use of these findings are important in mechanical design considerations, improve and reinforcement of devices that use carbon nanotubes.

A Design and Manufacturing of Two Types of Micro-grippers using Piezoelectric Actuators for the Micromanipulation (미세 조작을 위한 압전 구동 집게의 설계 및 제작)

  • 박종규;문원규
    • Proceedings of the Korean Society of Precision Engineering Conference
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    • 2003.06a
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    • pp.246-250
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    • 2003
  • In this study, two new types of micro-grippers in which micro-fingers are actuated by piezoelectric multi-layer benders and stacks are introduced for the manipulation of micrometer-sized objects. First, we constructed a 3-chopstick-mechanism tungsten gripper, which is composed of three chopsticks: two are designed to grip micro-objects, and tile third is used to help grasp and release the objects through overcoming especially electrostatic force among some surface effects including electrostatic, van der Waals forces and surface tension. Second, a 2-chopstick-mechanism silicon micro-gripper that uses an integrated force sensor to control the gripping force was developed. The micro-gripper is composed of a piezoelectric multilayer bender for actuating the gripper fingers, silicon fingertips fabricated by use of silicon-based micromachining, and supplementary supports. The micro-gripper is referred to as a hybrid-type micro-gripper because it is composed of two main components; micro-fingertips fabricated using micromachining technology to integrate a very sensitive force sensor for measuring the gripping force, and piezoelectric gripper finger actuators that are capable of large gripping forces and moving strokes. The gripping force signal was found to have a sensitivity of 667 N/V. To the design of each of components of both of the grippers. a systematic design approach was applied, which made it possible to establish the functional requirements and design parameters of the micro-grippers. The micro-grippers were installed on a manual manipulator to assess its performance in tasks such as moving micro-objects from one position to a desired position. The experiment showed that the micro-grippers function effectively.

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The Crytal and Molecular Structure of Morpholinothiosemicarbazide (Morpholinothiosemicarbazide의 結晶 및 分子構造)

  • Chung Hoe Koo;Hoon Sup Kim;Hyun So Shin;Yungja Lee
    • Journal of the Korean Chemical Society
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    • v.17 no.2
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    • pp.105-114
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    • 1973
  • The crystal structure of morpholinothiosemicarbazide has been determined by single crystal X-ray analysis. The lattice constants are a = 4.19(2), b = 6.56(2) and c = 26.67(4)${\AA}$. The unit cell contains 4 molecules and the space group is$P2_12_12_1$. The atomic parameters have been refined by least-squares method to a final R value of 0.07, based on the 651 observed reflexions. The amino nitrogen atom forms hydrogen bonds to the sulfur atoms of the other molecules related by the two-fold screw axis parallel to the a-axis, the distances of the hydrogen bonds being 3.48 and 3.49${\AA}$. On the other hand, the imino nitrogen atom forms a hydrogen bond to the amino nitrogen atom of the other molecule related by the two-fold screw axis parallel to the a-axis, the distance of the hydrogen bond being 3.04${\AA}$. These three hydrogen bonds arrange the molecules around the two-fold screw axis. Apart from the hydrogen bonding system the structure is held together by van der Waals forces.

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The Crystal and Molecular Structure of Sulfadiazine (Sulfadiazine의 結晶 및 分子構造)

  • Shin Hyun So;Ihn Gwon Shik;Kim Hoon Sup;Koo Chung Hoe
    • Journal of the Korean Chemical Society
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    • v.18 no.5
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    • pp.329-340
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    • 1974
  • Sulfadiazine, $C_{10}H_{10}N_4O_2S$, forms monoclinic crystals of space group $P21}c$ from a mixture of acetone and ethanol with $a=13.71{\pm}0.04,\;b=5.84{\pm}0.03,\;c=15.11{\pm}0.05{\AA},\;{\beta}=115.0{\pm}0.3^{\circ}$, and four molecules per cell. Three dimensional photographic data were collected with $CuK\alpha$ radiation. The structure was determined using Patterson and Fourier synthesis methods and refined by block diagonal least-squares methods with isotropic thermal parameter for all non-hydrogen atoms. The final R value was 0.15 for the 1517 observed independent reflections. The dihedral angle between the planes through the benzene ring and the pyrimidine ring is $76^{\circ}$. The conformational angle formed by the projection of the S-C(5) bond with that of N(1)-C(1) where the projection is taken along the S-N(1) bond is $77^{\circ}$. The imino nitrogen atom, N(1), and pyrimidine nitrogen atom, N(3), form intermolecular $N-H{\cdots}N$ hydrogen bond between the molecules related by center of symmetry. Amino nitrogen atom, N(4), forms two intermolecular $N-H{\cdots}O$ hydrogen bonds, with O(1) and O(2) atoms of different molecules separated by b. A two dimensional network of hydrogen bonds form infinite molecular sheets parallel to the (100) plane. Adjacent sheets are bound together by van der Waals forces.

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The Crystal and Molecular Structure of Salicylaldehyde-4-piperidinothiosemicarbazone (Salicylaldehyde-4-piperidinothiosemicarbazone의 결정 및 분자구조)

  • Young-Ja Lee
    • Journal of the Korean Chemical Society
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    • v.20 no.1
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    • pp.3-14
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    • 1976
  • The crystal structure of alicylaldehyde-4-piperidinothiosemicarbazone, $C_{13}H_{l7}N_3OS$, has been determined by single crystal X-ray analysis. The crystals are orthorhombic, space group $P2_12_12_1$, with unit cell dimensions a = 6.52(2), b = 13.42(4), c = 14.92(4)${\AA}$. There are four formular units in a unit cell. The structure was solved by the heavy atom method and refined by isotropic block diagonal least-squares methods to a final R value of 0.10 for 1019 observed reflections. The oxygen atom of the hydroxyl group is involved in two hydrogen bonds, one as donor in the intramolecular O-H${\cdots}$N hydrogen bond and the other as acceptor in the intermolecular N-H${\cdots}$O hydrogen bond, the distances of the hydrogen bonds 2.56 and 3.00${\AA}$ respectively.The molecules are joined into infinite columns by the N-H${\cdots}o$O hydrogen bonds which form spirals along the two fold screw axis parallel to the a axis. The molecular columns are held together by van der Waals forces.

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A Study of Adhesive Mechanism of Gecko Adhesion System using Adhesive Beam Contact Model (보 접착 모델을 이용한 게코 접착 시스템의 접착 메커니즘에 대한 연구)

  • Kim, Won-Bae;Cho, Maeng-Hyo
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.23 no.4
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    • pp.403-407
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    • 2010
  • Gecko adhesion system consists of beam-shaped seta and spatula which has the role of adhesive pad. In this paper, adhesion mechanism of gecko adhesion system is performed by using adhesive beam contact model. this model has a feature of non-uniform stress profile on the contact surface and adhesion/detachment mechanism is determined by the tensile stress of the contact region. a spatula tip pad has the role of reduction of maximum tensile stress and adhesive force is increased due to this effect. As for a reverse loading case, maximum compressive stress drops by the spatula effect and this cause unsymmetric loading conditions between adhesion and detachment forces. In this study, finite element method is used for the analysis of adhesive beam contact model and the results for spatula effect are presented.

Hydration and Electrical Resistance of Cement Composites Containing MWCNTs (MWCNT가 첨가된 시멘트복합체의 수화 및 전기저항 특성)

  • Lee, Gun-Cheol;Kim, Young-Min
    • Journal of the Korea Institute of Building Construction
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    • v.20 no.1
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    • pp.11-18
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    • 2020
  • Carbon nanotubes are used in various industries with their excellent mechanical properties and electrical conductivity. In the construction industry, research is being conducted to give self-sensing capabilities to structures, but the results of experiments vary among researchers, and the analysis is insufficient. Therefore, in this study, the hydration and electrical properties of MWCNT-added cement pastes were measured. The electrical resistance values of hydration heat, porosity, Rietveld quantitative analysis, compressive strength, and distance were measured.. The heat resistance, porosity, Rietvelt quantitative analysis, compressive strength and distance were measured according to electrical resistance. Experimental results showed that the heat of hydration decreased with increasing MWCNT. XRD Rietveld quantitative analysis showed that there was no significant difference in the amount of hydration products with increasing addition rate of MWCNT. As a result of SEM analysis, the MWCNT is agglomerated by van der Waals forces, and this area is considered to be caused by voids and weak areas. The electrical resistance value decreases as the addition rate is increased, and thus may play a role for magnetic sensing in the future.

Adhesion Force Analysis of Charged Particles for the E-paper (전자 종이용 하전 입자의 부착력 분석)

  • Kim, Seung-Taek;Kim, Hyung-Tae;Lee, Sang-Ho;Kim, Jong-Seok
    • Journal of the Semiconductor & Display Technology
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    • v.9 no.4
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    • pp.87-91
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    • 2010
  • Charged micro-particles are widely used as the key components for many electrical applications such as an e-paper, a touch panel, a printer toner and an electronic ink. Among them, the e-paper is an emerging reflective type display using the charged particles that has the advantages of the extremely low power consumption and sunlight readability. To create images on the e-paper, we confine black positively-charged and white negatively-charged particles between bottom and top electrodes and selectively apply the electric field. When the Coulomb force by an applied electric field is greater than the adhesion force between the charged particle and the electrode, the particles' transition happens resulting in the change of color between black and white. Therefore, the adhesion force is a very important factor for designing and estimating e-paper's operation. In this study, we constructed a basic model for particle's transition and an adhesion force equation describing particle's transition with three different forces: electrostatic image force, Van der Waals force and gravitational force. The simulation results showed that the gravitational force is negligible for the interesting range for the charge and the radius, and the adhesion force can be strongly dependent on the particle's charge and radius.