• Korean Journal of Materials Research
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• v.23 no.7
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• pp.373-378
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• 2013

In order to clarify the effect of C/Ti atom ratios(${\chi}$) on the deformation behavior of $TiC_{\chi}$ at high temperature, single crystals having a wide range of ${\chi}$, from 0.56 to 0.96, were deformed by compression test in a temperature range of 1183~2273 K and in a strain rate range of $1.9{\times}10^{-4}{\sim}5.9{\times}10^{-3}s^{-1}$. Before testing, $TiC_{\chi}$ single crystals were grown by the FZ method in a He atmosphere of 0.3MPa. The concentrations of combined carbon were determined by chemical analysis and the lattice parameters by the X-ray powder diffraction technique. It was found that the high temperature deformation behavior observed is the ${\chi}$-less dependent type, including the work softening phenomenon, the critical resolved shear stress, the transition temperature where the deformation mechanism changes, the stress exponent of strain rate and activation energy for deformation. The shape of stress-strain curves of $TiC_{0.96}$, $TiC_{0.85}$ and $TiC_{0.56}$ is seen to be less dependent on ${\chi}$, the work hardening rate after the softening is slightly higher in $TiC_{0.96}$ than in $TiC_{0.85}$ and $TiC_{0.56}$. As ${\chi}$ decreases the work softening becomes less evident and the transition temperature where the work softening disappears, shifts to a lower temperature. The ${\tau}_c$ decreases monotonously with decreasing ${\chi}$ in a range of ${\chi}$ from 0.86 to 0.96. The transition temperature where the deformation mechanism changes shifts to a lower temperature as ${\chi}$ decreases. The activation energy for deformation in the low temperature region also decreased monotonously as ${\chi}$ decreased. The deformation in this temperature region is thought to be governed by the Peierls mechanism.

• Journal of Internet Computing and Services
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• v.5 no.2
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• pp.97-105
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• 2004

The reason that an intelligent agent cannot understand the representation of its own perception or activity is caused by the traditional syntactic approach that translates a semantic feature into a simulated string, To implement an autonomously learning intelligent agent, Cohen introduces a experimentally semantic approach that the system learns a contentful representation of physical schema from physically interacting with environment using its own sensors and effectors. We propose that negation is a meta-level schema that enables an agent to recognize its own physical schema, To improve the planner's efficiency, Graphplan introduces the control rule that manipulates the inconsistency between planning operators, but it cannot cognitively understand negation and suffers from redundancy problem. By introducing a negative function not, IPP solves the problem, but its approach is still syntactic and is inefficient in terms of time and space. In this paper, we propose that, to represent a negative fact, a positive atom, which is called opposite concept, is a very efficient technique for implementing an cognitive agent, and demonstrate some empirical results supporting the hypothesis.

• Journal of the Korean Magnetic Resonance Society
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• v.12 no.2
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• pp.111-118
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• 2008

The mechanism of charge flow has been probed by measuring the $^{1}H$ chemical shift on a proton-irradiated ${KH_2}{PO_4}$ (KDP) single crystal. The proton irradiation caused the increase in $^{1}H$ chemical shift. It can be interpreted as the electronic charge transfer from the proton to oxygen atom, accompanied with the proton displacement along the hydrogen bond. For the high resolution $^{1}H$ chemical shift measurement, CRAMPS (Combined Rotation And Multiple Pulses) technique is utilized.

• Transactions on Electrical and Electronic Materials
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• v.16 no.1
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• pp.5-9
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• 2015

Optical and electrical properties were studied for Antimony doped tin oxide thin films from precursors containing 10, 30, 50, and 70 atom% of Sb deposited on bare sodalime silica, barrier layer coated sodalime silica, and pure silica glass substrates by sol-gel spinning technique. The direct band gaps were found to vary from 3.13~4.12 eV when measured in the hv range of 2.5~5.0 eV, and varied from 4.22~5.08 eV when measured in the range of 4.0~7.0 eV. Indirect band gap values were in the range of 2.35~3.11 eV. Blue shift of band gap with respect to bulk band gap and Moss-Burstein shift were observed. Physical thickness of the films decreased with the increase in % Sb. Resistivity of the films deposited on SLS substrate was in the order of $10^{-2}$ ohm cm. Sheet resistance of the films deposited on barrier layer coated soda lime silica glass substrate was found to be relatively less.

• Bulletin of the Korean Chemical Society
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• v.31 no.10
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• pp.2783-2785
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• 2010

Searching for new molecular radicals which are believed to play an important role as reaction intermediates in aromatic chain reactions, we have applied the technique of corona excited supersonic expansion employing a pinhole-type glass nozzle to obtain the vibronic spectrum from the corona discharge of precursor 3,5-difluorotoluene with a large amount of inert carrier gas helium. An analysis of the observed spectrum revealed that many vibronic bands are from other isomeric difluorobenzyl radicals generated in the jet by migration of the fluorine atom or methylene group to the adjacent position in the 3,5-difluorobenzyl radical. A possible mechanism was proposed for the formation of other isomers by using a bridged cyclic intermediate structure.

• Journal of the Korean Ceramic Society
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• v.35 no.6
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• pp.619-625
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• 1998

Mn doped {{{{ {Zn {Ga }_{2 }O }_{4 } }} thin film phosphors were prepared on Si(100) wafers and ITO coated glass substrates by rf magnetron sputtering technique and the effects of the substrates dopant and the sputtering paramet-ers were analyzed, Changes of the oreintation were observed after annealine tratment. The grain size of {{{{ {Zn {Ga }_{2 }O }_{4 } }} : Mn thin film deposited on Si wafer was smaller than that on ITO/glass substrate which resulted in higher PL intensity. The PL spectra of Mn doped {{{{ {Zn {Ga }_{2 }O }_{4 } }} thin films showed sharp green luminescence spec-trum. According to CL spectrum it could be concluded that Mn ions acted as an actuator for green emission by substituting Zn atom sites.

• Transactions of the Korean Society of Automotive Engineers
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• v.23 no.3
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• pp.336-343
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• 2015

One of various main jobs in the design of a new tactical vehicle is to develop the lightest chassis parts satisfying the required durability target. In this study, the analytic methods to reduce the size and weight of a lower control arm and chassis frame of a Korean light tactical vehicle are presented. Topology optimization by ATOM (Abaqus Topology Optimization Module) is applied to find the optimal design of the suspension arm with volume and displacement constraints satisfied. In case of chassis frame, the light-weight optimization process associated with design sensitivity method is developed using Isight and ABAQUS. By these analytic methods we can provide design engineers with guides to where and how much the design changes should be made.

• Bulletin of the Korean Chemical Society
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• v.4 no.3
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• pp.123-127
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• 1983

The crystal structure of metoclopramide, $C_14H_22ClN_3O_2$, has been determined by X-ray diffraction techniques using diffractometer data obtained by the ${\omega}-2{\theta}$ scan technique with Mo $K\alpha$ radiation from a crystal with space group symmetry $P{\overline{1}}$ and unit cell parameters a = 7.500(1), b = 8.707(2), c = 13.292(2) ${\AA}$; ${\alpha}$ = 101.70(2), ${\beta}$ = 81.20(2), and ${\gamma}$ = $114.90(l)^{\circ}$. The sructure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.055 for the 1524 observed reflections. The bent overall-conformation of the molecule seems to be determined mainly by the bifurcated intramolecular hydrogen bond from the amide nitrogen atom to the methoxy oxygen and the amine nitrogen atoms. The crystal packing consists of the hydrogen bonds, ${\pi}-{\pi}$ interaction and hydrophobic interaction.

• Bulletin of the Korean Chemical Society
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• v.21 no.12
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• pp.1207-1212
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• 2000

The free energy simulation technique is used to evaluate the relative binding affinity of a set of hydroxyethylene isostere inhibitors of the HIV-1 protease. The binding reactions and an alchemical mutation construct the thermodynamic cycle, which reduces the free energy difference of the binding interactions into that of the alchemical processes. In the alchemical process, a methyl group is mutated into a hydrogen atom. Albeit the change is a small perturbation to the inhibitor-protease complex, it results in 25 fold difference in the binding constants. The simulation reproduces the experimentally measured binding affinities within 2% of the free energy difference. The protonation state of the catalytic aspartic acid residues is also investigated through the free energy simulations.

• Journal of KIISE:Databases
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• v.31 no.6
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• pp.641-649
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• 2004

The relationship between chemical structures and biological activities is researched briskly in the area of 'Medicinal Chemistry' At the base of these structure-based drug design tries, medicinal chemists search the existing drugs of similar chemical structure to target drug for the development of a new drug. Therefore, it is such necessary that an automatic system selects drug files that have a set of chemical moieties matching a user-defined query moiety. Substructure searching is the process of identifying a set of chemical moieties that match a specific query moiety. Testing for substructure searching was developed in the late 1950s. In graph theoretical terms, this problem corresponds to determining which graphs in a set are subgraph isomorphic to a specified query moiety. Testing for subgraph isomorphism has been proved, in the general case, to be an NP- complete problem. For the purpose of overcoming this difficulty, there were computational approaches. On the 1990s, a US patent has been granted on an atom-centered indexing scheme, used by the RS3 system; this has the virtue that the indexes generated can be searched by direct text comparison. This system is commercially used(http://www.acelrys.com/rs3). We define the RS3 system's drawback and present a new indexing scheme. The RS3 system treats substructure searching with substring matching by means of expressing chemical structure aspredefined strings. However, it has insufficient 'rerall' and 'precision‘ because it is impossible to index structures uniquely for same atom and same bond. To resolve this problem, we make the minimum-cost- spanning tree for one centered atom and describe a structure with paths per levels. Expressing 2D chemical structure into 1D a string has limit. Therefore, we break 2D chemical structure into 1D structure fragments. We present in this paper a new index technique to improve recall and precision surprisingly.