• Bulletin of the Korean Chemical Society
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• v.21 no.5
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• pp.510-514
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• 2000

Molecular hydrogen dimer, ($H_2)_2$ is a weakly bound van der Waals complex. The configuration of two hydrogen molecules and the potential well structure of the dimer have been the subjects of various studies among chemists and astrophysicists. In this study, we used DFT, MCG2, and MCG3 methods to determine the structure and energy of the molecular hydrogen dimer. We compared the results with previously reported ab initio method results. The ab initio results were also recalculated for comparison. All optimized geometries obtained from the MP2 and DFT methods are T-shaped. The H-H bond lengths for the dimer are almost the same as those of monomer. The center-to-center distance depeds on the levels of theory and the size of the basis sets. The bond lengths of the $H_2$ molecule from the MCG2 and MCG3 methods are shown to be in excellent agreement with the experimental value. The geometry of optimized dimer is T-shaped, and the well depths for the dimerization potential are very small, being 23 $cm-^1$ and 27 $cm-^1$ at the MCG2 and MCG3 levels, respectively. In general the MP2 level of theory predicts stronger van der Waals than the DFT, and agrees better with the MCG2 and MCG3 theories.

• Journal of the Korean Chemical Society
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• v.42 no.2
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• pp.161-171
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• 1998

The geometrical parameters, vibrational frequencies, and IR intensities for primary ozonide (POZ), secondary ozonide (SOZ) and carbonyl oxide as the intermediates of alkene-ozone reaction have been predicted using high level ab initio quantum mechanical method with various basis sets. In general, the polarization function decreases bond lengths and bond angles, while the electron correlation effect increases bond lengths slightly. The electronic structure of carbonyl oxide has been predicted to be zwitterionic structure and energy difference between zwitterionic and diradical structure is evaluated to be 22.4 kcal/mol at TZ2P CISD level of theory. The experimental vibrational frequencies and IR intensities of POZ and SOZ will be compared and discussed with our high level theoretical predictions.

• Journal of Institute of Control, Robotics and Systems
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• v.16 no.4
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• pp.391-395
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• 2010

In our paper, we propose an asymmetric single-tracked wheel system, and describe its structure and the method for maintaining the length of a transformable track system. And the method is reducing the gap of lengths. Therefore, we propose an efficient structure for transforming and explain motions with kinematics. Our transformable shape single-tracked mobile system has an advantage to overcome an obstacle or stairs by the variable arms in the single unity track system. But we will make the variable shape of tracked system get a drive that has a force to stand against a wall. In this case, we can consider this system to a rigid body and have a notice that this single tracked system is able to get vary shape with the variable arm angle. Considering forces balance along x-axis and y-axis, and moments balance around the center of the mass we have. If this rigid body is standing against a wall and doesn't put in motion, the force of flat ground and the rigid body sets an equal by a friction. In the same way, the force of a wall and the rigid sets an equal by a friction.

• Geomechanics and Engineering
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• v.16 no.1
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• pp.21-34
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• 2018

Discontinuities considerably affect the mechanical and hydraulic properties of rock mass. These properties of the rock mass are influenced by the geometry of the discontinuities to a great extent. This paper aims to render an account of the geometrical parameters of several discontinuity sets related to the surrounding rock mass of Rudbar Lorestan Pumped Storage Power Plant powerhouse cavern making use of the linear and areal (circular and rectangular) sampling methods. Taking into consideration quite a large quantity of scanline and the window samplings used in this research, it was realized that the areal sampling methods are more time consuming and cost-effective than the linear methods. Having corrected the biases of the geometrical properties of the discontinuities, density (areal and volumetric) as well as the linear, areal and volumetric intensity accompanied by the other properties related to four sets of discontinuities were computed. There is an acceptable difference among the mean trace lengths measured using two linear and areal methods for the two joint sets. A 3D discrete fracture network generation code (3DFAM) has been developed to model the fracture network based on the mapped data. The code has been validated on the basis of numerous geometrical characteristics computed by use of the linear, areal sampling methods and volumetric method. Results of the linear sampling method have significant variations. So, the areal and volumetric methods are more efficient than the linear method and they are more appropriate for validation of 3D DFN (Discrete Fracture Network) codes.

• Bulletin of the Korean Chemical Society
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• v.33 no.9
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• pp.2861-2866
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• 2012

Results of the comparisons of various density functional theory (DFT) methods with different basis sets for predicting the molecular geometry of TPOP24N-Oxide macrocycle, an oxoporphyrin N-oxide, are reported in this paper. DFT methods, including M06-2X, B3LYP, LSDA, B3PW91, PBEPBE, and BPV86, are examined. Different basis sets, such as 6-$31G^*$, 6-31+G (d, p), 6-311+G (d, p), and 6-311++G (d, p), are also considered. The M06-2X/6-$31G^*$ level is superior to all other density functional methods used in predicting the geometry of TPOP24N-Oxide. The geometries of regioisomeric chlorin N-oxide and oxoporphyrin N-oxide are reported using M06-2X/6-$31G^*$ method. The geometry effects of oxoporphyrin and chlorin N-oxide regioisomers are increased ${\beta}-{\beta}$ bond lengths by N-oxidation because the bond overlap index due to charge transfers is decreased. In N-oxidation ring (II, III), angles that include ${\beta}-{\beta}$ bond length increase as the bond overlap index of ${\beta}-{\beta}$ bond is decreased by N-oxidation. The potential energy surfaces of chlorin N-oxide and oxoporphyrin N-oxide are explored by M06-2X/6-$31G^*$, and single-point calculations are performed at levels up to M06-2X/6-311++G (d, p). Total and relative energies are then calculated. The results indicate that chlorin 24 N-oxides are more stable than chlorin 22 N-oxides in chlorin N-oxide regioisomers. Moreover, TPOP24N-Oxide is less stable than TPOP22N-Oxide.

• Journal of KSNVE
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• v.7 no.2
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• pp.261-272
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• 1997

Recently washing machines are to be in lower vibration and lower sound because of better environment. Vibration problems in washing machines occur in both washing mode and spinning mode, but vibration in spinning mode becomes main problem because of its high rotating speed and continuity. Vibration while spinning is mainly due to rigid body motion of total washing system which includes suspending rods, washing bath, spinning bath, and gear sets. In this study, some researches were done in order to analyze the rigid body motion of washing system and flexible vibration of spinning bath. A basic mathematical model was established, and the effect of position of salt water and shape change of salt water case were considered. And the effect of lengths of suspending rods, attaching angles, vertical and horizontal position, stiffness of spring on the change of vibration were also considered. To identify the effect of salt water on vibration, some measurements were done. When salt water was positioned at upper part, the effect was most and this coincides with the tendency of simulation.

• Proceedings of the Korean Institute of Intelligent Systems Conference
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• 1998.06a
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• pp.272-277
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• 1998

If we want to compare the form of two objects, the human vision takes into account the parameter's width/length/height at the same time. however, the machine needs to compare width then lengths and finally height. In each comparison the machine considers only one character. The goal of this paper is to imitate the human manner of comparison and recognition by using two or three characters instead of one during the comparison. The ellipse is a first approach of comparison because it provides us a general and a simple relation that can link two parameters that are the half axis of the ellipse. Indeed, we assimilate each character to a half axis of the ellipse and the result is a geometrical figure that varies according to values of the two characters.

• Proceedings of the Korean Operations and Management Science Society Conference
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• 1996.04a
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• pp.11-14
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• 1996

Performance of the group cumulative sum(CUSUM) control scheme using multiple univariate CUSUM charts is more sensitive to the change of quality control(QC) characteristics than the control chart scheme based on the Hotelling statistics. We examine three group charts for multivariate normal data sets simulated with various correlation structures and shift directions in the mean vector. These group schemes apply the orginal measurement vectors, the scaled residual vectors from the regression of each variable on all others and the principal component vectors respectively to calculating the CUSUM statistics. They are also compared to the multivariate QC charts based on the Hotelling statistic by estimating average run lengths, coefficients of variation of run length and ranks in signaling order. On the basis of simulation results, we suggest a control chart scheme appropriate for specific quality control environment.

• Bulletin of the Korean Mathematical Society
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• v.53 no.5
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• pp.1385-1394
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• 2016

Let (R, m) be a Noetherian local ring, I, J two ideals of R, and A an Artinian R-module. Let $k{\geq}0$ be an integer and $r=Width_{>k}(I,A)$ the supremum of lengths of A-cosequences in dimension > k in I defined by Nhan-Hoang [9]. It is first shown that for each $t{\leq}r$ and each sequence $x_1,{\cdots},x_t$ which is an A-cosequence in dimension > k, the set $$\Large(\bigcup^{t}_{i=0}Att_R(0:_A(x_1^{n_1},{\ldots},x_i^{n_i})))_{{\geq}k}$$ is independent of the choice of $n_1,{\ldots},n_t$. Let r be the eventual value of $Width_{>k}(0:_AJ^n)$. Then our second result says that for each $t{\leq}r$ the set $\large(\bigcup\limits_{i=0}^{t}Att_R(Tor_i^R(R/I,\;(0:_AJ^n))))_{{\geq}k}$ is stable for large n.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.25 no.8
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• pp.1037-1045
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• 2001

The effect of hysteresis in saturated pool boiling of water from stainless-steel surfaces has been investigated experimentally. Several sets of test sections of different surface conditions, geometries, orientations, diameters, lengths, and water types were tested at atmospheric pressure. The experimental results show that hysteresis effects in pool boiling heat transfer are not significant, but some appreciable trends are observed in accordance with parameters change. At higher heat flux regions, the curve for heat flux decrease is shifted to the left side of the curve for heat flux increase. To clarify hysteresis in pool boiling and to give some improvement on published correlations, four empirical correlations are obtained in terms of tube diameter, surface roughness, and tube wall superheat.