• Bulletin of the Korean Chemical Society
• /
• v.6 no.6
• /
• pp.362-366
• /
• 1985

The hydrogen atom transfer reaction between substituted methane, $CH_3X,$ and its radical, $CH_2X(X=H,F,CH_3,CN,OH\;and\;NH_2$ was studied by MINDO/3 method. The transition state(TS) structure and energy barriers were determined and variation of the transition state and of the reactivity due to the change of X were analyzed based on the potential energy surface characteristics. It was found that the greater the radical stabilization energy. the looser the TS becomes; the TS occurs at about 15% stretch of the C-H bond, which becomes longer as the radical stabilization energy of $CH_2X$ increasers. The intrinsic barrier, ${\Delta}E*_{x.x},$ of the reaction with X was found to increase in the order $H The degree of bond stretch of the C-H bond stretch of the C-H bond at the TS also had the same order indicating that the homolytic bond cleavage of the C-H bond is rate-determining. Orbital interactions at the TS between LUMO of the fragment $C{\ldots}H{\ldots}C$ and the symmetry adapted pair of nonbonding, $n{\pm}(=n_1{\pm}n_2),$ or pi orbitals of the two X atoms were shown to be the dominant contribution in determining tightness or looseness of the TS. The Marcus equation was shown to apply to the MINDO/3 barriers and energy changes of the reaction.

• Proceedings of the Korean Institute of Surface Engineering Conference
• /
• 2017.05a
• /
• pp.143-143
• /
• 2017

CrAlN 코팅은 높은 경도, 낮은 표면 조도 등의 상온에서의 우수한 기계적 특성 이외에 고온에서 안정한 합금상의 형성으로 인하여 우수한 내산화성 및 내열성을 보유하여 공구 코팅으로의 적용 가능성이 크다. 그러나 최근 공구사용 환경의 가혹화로 인하여 코팅의 내마모성 및 내열성 등의 물성 향상을 통한 공구의 수명 향상이 필요시 되고 있으며, 다양한 코팅 물질을 활용하여 다층 코팅을 합성함으로써 난삭재용 공구 코팅의 물성을 높이는 연구들이 진행되고 있다. 본 연구에서는 CrAlN 코팅과 WC-Co 6wt.% 모재 사이에 CrZrN, CrN, CrN/CrZrSiN 등의 중간층을 합성하여 CrAlN 코팅의 상온 및 고온 특성을 향상시키는 연구가 진행되었다. 합성된 코팅의 구조 및 물성을 분석하기 위해 field emission scanning electron microscopy(FE-SEM), nano-indentation, atomic force microscopy(AFM) 및 ball-on-disk wear tester를 사용하였다. 코팅의 고온 특성을 확인하기 위해 코팅을 furnace에 넣어 공기중에서 30분 동안 annealing 한 후에 nano-indentation을 사용하여 경도를 측정하였고, $500^{\circ}C$ annealing 코팅의 표면 조도 분석 및 $500^{\circ}C$에서 마찰마모시험을 실시하였다. CrAlN 코팅의 상온 특성을 분석한 결과, 모든 코팅의 경도(35.5-36.2 GPa)와 탄성계수(424.3-429.2 GPa)는 중간층의 종류에 상관없이 비슷한 값을 보인 것으로 확인됐다. 그러나, CrN/CrZrSiN 중간층을 증착한 CrAlN 코팅의 마찰계수는 0.33로 CrZrN 중간층을 증착한 CrAlN 코팅의 마찰계수(0.41)에 비해 향상된 값 보였으며, 코팅의 마모율 및 마모폭도 비슷한 경향을 보인 것으로 보아 코팅의 내마모성이 향상된 것으로 판단된다. 이것은 중간층의 H/E ratio가 코팅의 내마모성에 미치는 영향에 의한 결과로 사료된다. H/E ratio는 파단시의 최대 탄성 변형율로써, 모재/중간층/코팅의 H/E ratio 구배에 따라 코팅 내의 응력의 완화 정도가 변하게 된다. WC 모재 (H/E=0.040)와 CrAlN 코팅(H/E=0.089) 사이에서 CrN, CrZrSiN 중간층의 H/E ratio는 각각 0.076, 0.083 으로 모재/중간층/코팅의 H/E ratio 구배가 점차 증가함을 확인 할 수 있었고, 일정 응력이 지속적으로 가해지면서 진행되는 마모시험중에 CrN과 CrZrSiN 중간층이 WC와 CrAlN 코팅 사이에서 코팅 내부의 응력구배를 완화시키는 역할을 함으로써 CrAlN 코팅의 내마모성이 향상된 것으로 판단된다. 내열성 시험 결과, CrN/CrZrSiN 중간층을 증착한 코팅은 $1,000^{\circ}C$까지 약 28GPa의 높은 경도를 유지한 것으로 확인 되었다. $500^{\circ}C$ annealing 후 진행된 표면 조도와 마모시험 결과, 모든 코팅의 조도 값 및 마찰계수는 상온 값에 비해 증가하였으며 CrN/CrZrSiN 중간층을 증착한 CrAlN 코팅의 변화량이 가장 낮은 값을 보였다. 이는 CrZrSiN 중간층 내에 존재하는 $SiN_x$ 비정질상이 고온 annealing시에 산소 차폐막 역할을 하여, 코팅내의 잔류 산소에 의한 산화작용을 효과적으로 방지함으로써 코팅의 고온 특성이 향상된 것으로 판단된다.

• Journal of the Institute of Electronics Engineers of Korea SD
• /
• v.39 no.1
• /
• pp.12-17
• /
• 2002

In this paper, an effective ionization coefficient for 4H-SiC is extracted in the form of c .E$^{m}$ from ionization coefficients of electron and hole. Analytical expressions for critical electric field and breakdown voltage of 4H-SiC p$^{+}$n junction are derived by employing the effective ionization coefficient. The analytic results agree well with the experimental ones reported within 10% in error for the doping concentration in the range of 10$^{15}$ cm$^{-3}$ ~10$^{18}$ cm$^{-3}$ . .

• Korean Journal of Crystallography
• /
• v.15 no.2
• /
• pp.93-98
• /
• 2004

The structure of C_{28}H_{41}N_4O_4Br\;{\cdot}\;2H_2O$ has been determined by X-ray deffraction methods. The crystal system is triclinic, space group Pl, unit cell constants, a=9.000(1) $\AA$, b=9.312(3) $\AA$, c=9.344(2) $\AA$, $\alpha=89.37(20)^{\circ},\;\beta=68.81(3)^{\circ},\;\gamma=84.70(4)^{\circ},\;V=726.7(8){\AA},\;T=298K,\;Z=1,\;D_c=1.402Mgm^{-3}$. The intensity data were collected on an Enraf-Nonius CAD4 Diffractometer with graphite monochromated $MoK\alpha$ radiation $(\lambda=0.71073\;{\AA}$. The molecular structure was solved by direct methods and refined by full-matrix least squares to a final $R=5.95\%$ for 2521 unique observed $F_0>4\sigma(F_0)$reflections and 370 parameters.

• Korean Journal of Crystallography
• /
• v.15 no.2
• /
• pp.99-103
• /
• 2004

The structure of $C_{16}H_{19}O_2N_3CuCl_2\;{\cdot}\;H_2O$ has been determined by X-ray diffraction methods. The crystal system is triclinic, space group Pl, unit cell constants. $a=7.6202(9)\; \AA,\; b=8.5943(7) \AA,\; c= 8.6272(6) \AA,\; \alpha= 67.518(6)^{\circ}.\; \beta= 68.043(8)^{\circ},\; \gamma=74.370(8)^{\circ},\; V=478.89(8)\; \AA^3,\; T=295K,\; Z=1,\; D_c=1.504Mgm^{-3}$The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated $MoK\alpha$ radiation $(\alpha=0.7107\;\AA)$. The molecular structure was solved by direct method.』 and refined by full-matrix least squares to a final $R=2.47\%$ for 1659 unique observed $F_0>4\sigma(F_0)$ reflections and 234 parameters.

• Journal of Biosystems Engineering
• /
• v.21 no.1
• /
• pp.84-93
• /
• 1996

Several paraffins(CnH2n +2) can be used as the thermal energy storage medium because of their large amount of latent heat and their flexibility of phase change temperature. But they have not been used in the thermal energy storage system because their long term stability have not been verified. Paraffins(CnH2n+2) which the values of n are 23, 24, 26 and 28 were selected for this experimental research. And this research was peformed to apply them to the practical systems. The results were summarized as follows. (1) The increase of phase change cycles had no effect on their phase change temperatures. (2) According as the values of n increased from 23 to 28, the specific heats of paraffins(CnH2n+2) increased, and were in the range of 0.47 0.75 ㎉/$kg^circ C$. (3) Thermal conductivities of them were in the range of 0.14 0.17 W/$m^circ C$. and specific gravities of them were in the range of 765800 kg/m3. (4) The density of paraffins was in the range of 765 800 kg/$m^circ C$ , and the density of solid phase was larger than that of liquid phase. (5) When the number of phase change cycles was 1, 500 cycles, the latent heat of paraffins was 90% of the initial value.

• Bulletin of the Korean Chemical Society
• /
• v.26 no.2
• /
• pp.278-280
• /
• 2005

To obtain cytochrome $c_3$ labeled with a stable isotope, the conditions of cultivation and the composition of medium for DvMF were examined. The growth of DvMF was steady and reproducible under purging with $N_2$ and under pH control. DvMF was able to go on a defined medium without natural products. The composition of medium containing a small amount of $NH_4C$l as sole nitrogen source was established. Then, uniformly $^{15}N$labeled cytochrome $c_3$ was obtained during the culture of DvMF in a defined medium with $^{15}NH_4$Cl; it was confirmed by $^1H-^{15}N$ HMQC.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
• /
• 2010.06a
• /
• pp.350-350
• /
• 2010

Silicon carbide (SiC), one of the well known wide band gap semiconductors, shows high thermal conductivities, chemical inertness and breakdown energies. The design of normally-off 4H-SiC VJFETs [1] has been reported and 4H-SiC VJFETs with different lateral JFET channel opening dimensions have been studied [2]. In this work, 4H-SiC based VJFETs has been designed using the device simulator (ATLAS, Silvaco Data System, Inc). We varied the n-epi layer thickness (from $6\;{\mu}m$ to $10\;{\mu}m$) and the channel width (from $0.9\;{\mu}m$ to $1.2\;{\mu}m$), and investigated the static characteristics as blocking voltages, threshold voltages, on-resistances. We have shown that silicon carbide JFET structures of highly intensified blocking voltages with optimized figures of merit can thus be achieved by adjusting the epi layer thickness and channel width.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
• /
• 2003.07a
• /
• pp.290-293
• /
• 2003

Ohmic contact characteristics of Al ion implanted n-type SiC wafer were investigated. Al ions implanted with high dose to obtain the final concentration of $5{\times}10^{19}/cm^3$, then annealed at high temperature. Firstly, B ion ion implanted p-well region were formed which is needed for fabrication of SiC devices such as DIMOSFET and un diode. Secondly, Al implanted high dose region for ohmic contact were formed. After ion implantation, the samples were annealed at high temperature up to $1600^{\circ}C\;and\;1700^{\circ}C$ for 30 min in order to activate the implanted ions electrically. Both the inear TLM and circular TLM method were used for characterization. Ni/Ti metal layer was used for contact metal which is widely used in fabrication of ohmic contacts for n-type SiC. The metal layer was deposited by using RF sputtering and rapid thermal annealed at $950^{\circ}C$ for 90sec. Good ohmic contact characteristics could be obtained regardless of measuring methods. The measured specific contact resistivity for the samples annealed at $1600^{\circ}C\;and\;1700^{\circ}C$ were $1.8{\times}10^{-3}{\Omega}cm^2$, $5.6{\times}10^{-5}{\Omega}cm^2$, respectively. Using the same metal and same process of the ohmic contacts in n-type SiC, it is found possible to make a good ohmic contacts to p-type SiC. It is very helpful for fabricating a integrated SiC devices. In addition, we obtained that the ratio of the electrically activated ions to the implanted Al ions were 10% and 60% for the samples annealed at $1600^{\circ}C\;and\;1700^{\circ}C$, respectively.

• Journal of the Korean Magnetics Society
• /
• v.5 no.5
• /
• pp.519-523
• /
• 1995

The Fe-TM-C-N nanocrystalline films (TM : Hf, Zr and Nb) are investigated to examine the relation between microstructure and soft magnetic properties. In these films, as the atomic radius of TM element increases, $P_{N2}$ which was added to get good soft magnetic properties was decreased and the maximum value of the permeability shifted to the high Fe range in the composition diagram. The best soft magnetic properties achieved in these films are : Hc of 0.15 Oe, $\mu_{eff}$ of 7800 (1MHz) and $4{\pi}M_{s}$ of 17.5 kG in Fe-Hf-C-N film ; Hc of 0.06 Oe, $\mu_{eff}$ of 2750 (1MHz) and $4{\pi}M_{s}$ of 16.8 kG in Fe-Zr-C-N film and Hc of 0.31 Oe; $\mu_{eff}$ of 2100 (1MHz) and $4{\pi}M_{s}$ of 15.5 kG in Fe-Nb-C-N film. It was considered that the stronger the bonding force between TM and C(N), the finer TM(C,N) phase is precipitated and therefore, the finer $\alpha$-Fe grains are formed. The effective permeability of the Fe-Zr-C-N films and Fe-Nb-C-N films remains nearly constant up to 10 MHz.