• Bulletin of the Korean Chemical Society
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• 제30권12호
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• pp.2927-2929
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• 2009

The hydricities of d$^6$ metal hydride complexes in aqueous solution were calculated by using density functional theoretical (DFT) calculations coupled with a Poisson-Boltzmann (PB) solvent model. Hydricity describes the hydride donor ability of the metal-hydrogen bond, which assists in the study of the mechanism of many catalytic processes and chemical reactions that involve transition metal hydrides. The calculation scheme produced hydricity values that were in good agreement with experimental estimation. The inclusion of a water molecule as a weakly bound ligand to five-coordinate metal complexes gave an improved correlation result.

• Nuclear Engineering and Technology
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• 제53권8호
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• pp.2610-2615
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• 2021

The prediction of irradiation-induced transition temperature shift for RPV steels is an important method for long term operation of nuclear power plant. Based on the irradiation embrittlement data, an irradiation-induced transition temperature shift prediction model is developed with machine learning method XGBoost. Then the residual, standard deviation and predicted value vs. measured value analysis are conducted to analyze the accuracy of this model. At last, Cu content threshold and saturation values analysis, temperature dependence, Ni/Cu dependence and flux effect are given to verify the reliability. Those results show that the prediction model developed with XGBoost has high accuracy for predicting the irradiation embrittlement trend of RPV steel. The prediction results are consistent with the current understanding of RPV embrittlement mechanism.

• 한국전자통신학회논문지
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• 제7권5호
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• pp.983-989
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• 2012

IEEE 802.3az LPI 메커니즘은 전송할 데이터가 없을 경우 취침 모드로 천이하여 다수의 컴포넌트들을 저전력 상태를 유지하게 함으로써 에너지 효율성을 향상시킨다. LPI는 소량의 데이터가 주기적으로 전송되는 상황에서는 잦은 전송 모드 변환에 따른 오버헤드 때문에 에너지 효율이 크게 개선되지 못하는 문제점이 있다. 본 논문에서는 전송계층 트래픽 특성 및 네트워크 상태에 따라 LPI 모드 상태 천이를 적응적으로 수행하는 개선된 LPI 메커니즘을 제안한다. 시뮬레이션 방법에 의한 성능 분석을 통해 제안한 메커니즘이 다양한 트래픽 부하에 대해서 기존 방법보다 에너지 효율성을 향상시키는 것으로 나타났다.

• 한국세라믹학회지
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• 제33권6호
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• pp.718-724
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• 1996

Deformation mechanism map of Langdon-Mohammed type for YBa2Cu3O7-x superconducting ceramic was constructed by considering mechanisms of Nabarro-Herring Coble and powder-law creep and grain boundary sliding (GBS) with an accommodation by grain boundary diffusion. The map was found consistent with experi-mental results not only of the creep the also of the superplastic deformation. It showed the transition from interface reaction-controlled to the grain boundary diffusion-controlled GBS mechanism at about 1 ${\mu}{\textrm}{m}$ grain size and 100 MPa flow stress in agreement with the experimental results.

• 대한수학교육학회지:수학교육학연구
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• 제8권2호
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• pp.485-494
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• 1998

This study is on the theory of Piaget's reflective abstraction and the mechanism of the development of knowledge and the history of algebra and its application to understand the difficulties that many students have in learning algebra. Piaget considers the development of knowledge as a linear process. The stages in the construction of different forms of knowledge are sequential and each stage begins with reorganization. The reorganization consists of the projection onto a higher level from the lower level and the reflection which reconstructs and reorganizes within a lager system that is transferred by profection. Piaget shows that the mechanisms mediating transitions from one historical period to the next are analogous to those mediating the transition from one psychogenetic stage to the next and characterizes the mechanism as the intra, inter, trans sequence. The historical development of algebra is characterized by three periods, which are intra inter, transoperational. The analysis of the history of algebra by the mechanism explains why the difficulties that students have in learning algebra occur and shows that the roles of teachers are important to help students to overcome the difficulties.

• Bulletin of the Korean Chemical Society
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• 제22권4호
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• pp.383-387
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• 2001

The kinetics and mechanism of the reactions of thiophenyl dimethylacetates (TDA) and trimethylacetates (TTA) with benzylamines in acetonitrile are studied. The reactions are first order in both the amine and the substrate. Relatively large values of ${\beta}X(\betanuc$ = 1.1-1.5; TDA and 1.1-1.5; TTA) and ${\beta}Z({\beta}lg$ = -1.8~-2.0; DTA and -1.3~-1.6; TTA) for benzylamines, significantly large kH/kD values (=1.2-1.5; DTA and 1.2-1.5; TTA) involving deuterated benzylamines, and large ${\rho}XZ$ (=0.82; TDA and 1.05; TTA) values are interpreted to indicate stepwise acyl transfer mechanism, but with the hydrogen bonded four center type transition state for benzylamine. The relatively greater magnitudes of ${\rho}XZ$ and the secondary kinetic isotope effects involving deuterated nucleophiles are in line with the proposed mechanism.

• 한국막학회:학술대회논문집
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• 한국막학회 1997년도 추계 총회 및 학술발표회
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• pp.69-70
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• 1997

Polyimides and related polymers, when synthesized from aromatic monomers, have generally rigid chain structures resulting in a low gas permeability. The rigidity of polymer chains reduces the segmental motion of chains and works as a good barrier against gas transport. To overcome the limit of use as materials of gas separation membranes due to low gas permeability, block copolymers with the incorporation of flexible segments like siloxane linkage and ether linkage have been studied. These block copolymers have microphase-separated structures composed of microdomains of flexible poly(dimethylsiloxane) or polyether segments and of rigid polyimides segments. In case of rigid-flexible block copolymers, the characteristics of both phases for gas permeation are of great difference. The permeation of gas molecules occurs favorably through microdomains of flexible segments, whereas those of rigid segments hinder the permeation of gas molecules. Accordingly the increase of content of flexible segments in a rigid polymer matrix will increase the gas permeability of the membrane linearly. However, this prediction does not satisfy enough many experimental results and in particular the drastic increase of the permeability is observed in a certain volume fraction. It was proposed that the gas transport mechanism is dominated by diffusion rather than gas solubility in a certain content of flexible phase if solution-diffusion mechanism is adopted. However, the transition from solubility-dependent to diffusion-dependent cannot be explained by the understanding of mechanism itself. Therefore, we consider an effective chemical path which permeable phase can form in a microheterogenous medium, and percolation concept is introduced to describe the permeability transition at near threshold where for the first time a percolation path occurs. The volume fraction of both phases is defined as V$_{\alpha}$ and V$_{\beta}$ in block copolymers, and the volume of $\beta$ phase in the threshold forming geometrically a traversing channel is defined as V$_{\betac}$. The formation mechanism of shortest chemical channel is schematically depicted in Fig. 1.

• Bulletin of the Korean Chemical Society
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• 제29권10호
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• pp.1911-1914
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• 2008

Second-order rate constants (kN) have been measured for Michael-type addition reactions of a series of alicyclic secondary amines to 1-phenyl-2-propyn-1-one (2) in MeCN at 25.0 ${\pm}$ 0.1 ${^{\circ}C}$. All the amines studied are less reactive in MeCN than in $H_2O$ although they are more basic in the aprotic solvent by 7-9 p$K_a$ units. The Bronsted-type plot is linear with $\beta_{nuc}$ = 0.40, which is slightly larger than that reported previously for the corresponding reactions in $H_2O$ ($\beta_{nuc}$ = 0.27). Product analysis has shown that only E-isomer is produced. Kinetic isotope effect is absent for the reactions of 2 with morpholine and deuterated morpholine (i.e., $k^H/k^D$ = 1.0). Thus, the reaction has been concluded to proceed through a stepwise mechanism, in which proton transfer occurs after the rate-determining step. The reaction has been suggested to proceed through a tighter transition state in MeCN than in H2O on the basis of the larger $\beta_{nuc}$ in the aprotic solvent. The nature of the transition state has been proposed to be responsible for the decreased reactivity in the aprotic solvent.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2012년도 제42회 동계 정기 학술대회 초록집
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• pp.573-573
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• 2012

High quality $VO_2$ thin films were successfully grown on GaN substrate by optimizing oxygen partial pressure during the growth using RF sputtering technique. The $VO_2$ thin film grown on GaN substrate exhibited an unusual metal insulator transition behavior, which was known to be observed only either in doped sample or under uniaxial stress. Raman spectra also confirmed that metal insulator transition occurred from monoclinic M1 to rutile R phase via monoclinic M2 phase with increasing temperature. We believe that large lattice mismatch between $VO_2$ and GaN substrate may cause M2 phase to be thermodynamically stable. Optical transmittance and its electrical switching behavior were carefully investigated to elucidate the underlying physics of its metal insulator transition behavior. This study may lead to a unique opportunity to better understand the growth mechanism of M2 phase dominant $VO_2$ thin films.

• Bulletin of the Korean Chemical Society
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• 제24권7호
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• pp.931-936
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• 2003

By the use of multi-loop thermodynamic boxes developed here by us, we show that models of enzyme catalysis (e.g., split-site model) developed in an attempt to emphasize the importance of the reactant-state destabilization and, thus, demonstrate misleading nature of the fundamentalist position which defines Pauling's transition-state stabilization as the entire and sole source of enzyme catalytic power, should be reduced to the fundamentalist formulation which completely neglects dynamical aspects of mechanism between the reactant and the transition states and dwells only on events restricted to the reactant and transition states alone, because the splitsite (and other canonical) formulations as well as fundamentalist formulations are based, in common, on equilibrium assumptions stipulated by the thermodynamic box logics. We propose to define the equilibrium assumptions as the requisite and sufficient conditions for the fundamentalist position to enjoy its primacy as central dogma, but not as sufficient conditions for its validity, because it is subjected to contradictions presented by existing data.