• Title/Summary/Keyword: H-bond

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The Effects of the Structural Characteristics on Properties of Their Bridging OH Groups for $AlPO_4-5$ Molecular Sieve : MNDO Calculations ($AlPO_4-5$ 분자체에서 가교 OH 그룹의 성질에 대한 구조 특성 효과 : MNDO 계산)

  • Son, Man-Shick;Lee, Chong-Kwang;Paek, U-Hyon
    • Journal of the Korean Chemical Society
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    • v.37 no.9
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    • pp.787-792
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    • 1993
  • Semiempirical MNDO calculations are employed to study relation properties on bridging OH group with Al-O(P-O) bond length and Al-O-P bond angle of structural characteristics using birdging $(OH)_3AlOP(OH)_3$ and $(OH)_3AlOHP(OH)_3^+$ model culster. We know that the O-H bond dissociation energy of bridging OH group is increased with increasing Al-O(P-O) bond length and decreasing Al-O-P bond angle. The bridging OH group is formed into enlarged Al-O(P-O) bond length and shortened Al-O-P bond angle in bridging oxygen atom by a hydrogen migration. The negative net charge of bridging oxygen atom is increased with longer Al-O-P bond angle, while the positive net charge is decreased with longer Al-O-P bond angle.

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Growth Behavior of Thermally Grown Oxide Layer with Bond Coat Species in Thermal Barrier Coatings

  • Jung, Sung Hoon;Jeon, Soo Hyeok;Park, Hyeon-Myeong;Jung, Yeon Gil;Myoung, Sang Won;Yang, Byung Il
    • Journal of the Korean Ceramic Society
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    • v.55 no.4
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    • pp.344-351
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    • 2018
  • The effects of bond coat species on the growth behavior of thermally grown oxide (TGO) layer in thermal barrier coatings (TBCs) was investigated through furnace cyclic test (FCT). Two types of feedstock powder with different particle sizes and distributions, AMDRY 962 and AMDRY 386-4, were used to prepare the bond coat, and were formed using air plasma spray (APS) process. The top coat was prepared by APS process using zirconia based powder containing 8 wt% yttria. The thicknesses of the top and bond coats were designed and controlled at 800 and $200{\mu}m$, respectively. Phase analysis was conducted for TBC specimens with and without heat treatment. FCTs were performed for TBC specimens at $1121^{\circ}C$ with a dwell time of 25 h, followed by natural air cooling for 1 h at room temperature. TBC specimens with and without heat treatment showed sound conditions for the AMDRY 962 bond coat and AMDRY 386-4 bond coat in FCTs, respectively. The growth behavior of TGO layer followed a parabolic mode as the time increased in FCTs, independent of bond coat species. The influences of bond coat species and heat treatment on the microstructural evolution, interfacial stability, and TGO growth behavior in TBCs are discussed.

The Bonding of Interstitial Hydrogen in the NiTi Intermetallic Compound

  • Kang, Dae-Bok
    • Bulletin of the Korean Chemical Society
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    • v.27 no.12
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    • pp.2045-2050
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    • 2006
  • The interstitial hydrogen bonding in NiTi solid and its effect on the metal-to-metal bond is investigated by means of the EH tight-binding method. Electronic structures of octahedral clusters $Ti_4Ni_2$ with and without hydrogen in their centers are also calculated using the cluster model. The metal d states that interact with H 1s are mainly metal-metal bonding. The metal-metal bond strength is diminished as the new metal-hydrogen bond is formed. The causes of this bond weakening are analyzed in detail.

A new reinforcing steel model with bond-slip

  • Kwak, H.G.;Filippou, F.C.
    • Structural Engineering and Mechanics
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    • v.3 no.4
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    • pp.299-312
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    • 1995
  • A new reinforcing steel model which is embedded inside a concrete element and also accounts for the effect of bond-slip is developed. Unlike the classical bond-link or bond-zone element using double nodes, the proposed model is considering the bond-slip effect without taking double nodes by incorporation of the equivalent steel stiffness. After calculation of nodal displacements, the deformation of steel at each node can be found through the back-substitution technique from the first to the final steel element using a governing equation constructed based on the equilibrium at each node of steel and the compatibility condition between steel and concrete. This model results in significant savings in the number of nodes needed to account for the effect of bond-slip, in particular, when the model is used for three dimensional finite element problems. Moreover a new nonlinear solution scheme is developed in connection with this model. Finally, correlation studies between analytical and experimental results and several parameter studies are conducted with the objective to establish the validity of the proposed model.

Local bond stress-slip behavior of reinforcing bars embedded in lightweight aggregate concrete

  • Tang, Chao-Wei
    • Computers and Concrete
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    • v.16 no.3
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    • pp.449-466
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    • 2015
  • This paper aims to study the local bond stress-slip behavior of reinforcing bars embedded in lightweight aggregate concrete (LWAC). The experimental variables of the local bond stress-slip tests include concrete strength (20, 40 and 60 MPa), deformed steel bar size (#4, #6 and #8) and coarse aggregate (normal weight aggregate, reservoir sludge lightweight aggregate and waterworks sludge lightweight aggregate). The test results show that the ultimate bond strength increased with the increase of concrete compressive strength. Moreover, the larger the rib height to the diameter ratio ($h/d_b$) of the deformed steel bars is, the greater the ultimate bond stress is. In addition, the suggestion value of the CEB-FIP Model Code to the LWAC specimen's ultimate bond stress is more conservative than that of the normal weight concrete.

Study on Bond Used in Shoes Manufacturing Industry (신발제조업체에서 사용되는 접착제에 관한 연구)

  • Park, D.H.;Moon, D.H.;Lee, C.U.
    • Journal of Korean Society of Occupational and Environmental Hygiene
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    • v.1 no.2
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    • pp.200-213
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    • 1991
  • ln order to acquire the fundamental data for the organic solvents in bond and to contribute the health improvement of workers in deprtment of organic solvents in shoes manufacturing industries. The authors surveyed the contents of organic solvent in adhesive and determined the amount of volatilization of organic solvent by time and temperature with gaschromatography from March to September 1990. The results were as follows; 1) The kinds for organic solvents in bond were 9 that was Toluene, C-Hexane, N-Hexane, C-Hexanon, Aceton, Methyl Ethyl Keton, Dimethyl Formamide, Etyly Acetate. 2) Toluene and Methyl Ethyl Keton among the organic solvents in adhesive were over 80.18%. 3) The amount of volatilization of Methyl Cyclohexanone and Aceton by time and temperature were the most level than other compounds.

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An Evaluation on High Temperature Oxidation Resistance of EB-PVD Thermal Barrier Coatings (전자빔 증착법에 의한 열차폐코팅의 고온 내산화성 평가)

  • Kim, Jong-H.;Jeong, Se-I.;Lee, Ku-H.;Lee, Eui-Y.
    • Journal of the Korean institute of surface engineering
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    • v.39 no.4
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    • pp.147-152
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    • 2006
  • Failure mechanisms of electron beam physical vapor deposited thermal barrier coatings(EB-PVD TBCs) that occur during thermal cyclic oxidation were investigated. The investigations include microstructural degradation of NiCrAIY bond coat, thermally grown oxides(TGOs) along the ceramic top coat-substrate interface and fracture path within TBCs. The microstructural degradation of the bond coat during cyclic oxidation created Al depleted zones, resulting in reduction of NiAl and ${\gamma}$-Ni solid solution phase. It was observed that the fracture took placed primarily within the TGOs or at the interfaces between TGOs and bond coat.

A Study on the Stress Corrosion Cracking Behaviors for Weld Joint of Steel with Various pH Values in Synthetic Sea Water (인공해수의 pH에 따른 강 용접부의 응력 부식균열거동에 관한 연구)

  • 유효선;나의균;정세희
    • Journal of Welding and Joining
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    • v.13 no.1
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    • pp.78-88
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    • 1995
  • This paper was performed to study the utility of the SP(small punch) test and the AE(acoustic emission) test in the evaluation of SCC(stress corrosion cracking) susceptibility for parent metal and bond line of HT80 steel-weld joint by SAW(submerged arc welding) with the various pH values. The loading rate used was 3*10$^{-4}$ mm/min and the corrosive environment used was synthetic sea water during the SP test and the AE test. According to the test results, the SCC susceptibility of the parent metal was increased in the order of pH6.0, pH8.2 and pH10.0. On the other hand, the bond line showed almost the same high SCC susceptibility in all pH concentrations. Synthetically, from the results of the SCC susceptibility, the macro- and micro-SEM observation, the microfracture behaviors by AE test and the relationship between SCC susceptibility and displacement at incipient failure, .delta.$_{i.f-AE}$, it can be concluded that the SP test and the AE test are the good test methods to evaluate the SCC susceptibility for parent metal and bond line of the weld joint with the change of environmental factors.

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Interaction of DEMS with H-terminated Si (001) Surface: A First Principles Study (DEMS와 H-terminated Si (001) 표면의 상호작용: 제일원리연구)

  • Kim, Dae-Hyun;Kim, Dae-Hee;Park, So-Yeon;Seo, Hwa-Il;Lee, Do-Hyoung;Kim, Yeong-Cheol
    • Journal of the Korean Ceramic Society
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    • v.46 no.4
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    • pp.425-428
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    • 2009
  • We performed a density functional theory study to investigate the interaction of DEMS (diethoxymethylsilane) with the H-terminated Si (001) surface. The optimum structure of DEMS was first calculated by a first principles study. The dissociation probability of the O-C bond of DEMS was higher than the other seven bonds based on the bond energy calculation. When the fragmented DEMS groups reacted with the H-terminated Si (001) surface, it was the most favorable among the eight reactions to form a bond between the Si atom on the surface and the O atom of a fragmented DEMS group (($C_2H_5O$)Si($CH_3$)(H)-O-) by forming a $C_2H_6$ as by-product.

A STUDY ON THE ADHESIVE BOND STRENGTH OF COMPOSITE RESIN TO Au-Ag-Cu-Pd ALLOY (Au-Ag-Cu-Pd합금과 복합레진간의 접착결합강도에 관한 연구)

  • Seol Young-Hoon;Jung Chang-Mo;Jeon Young-Chan
    • The Journal of Korean Academy of Prosthodontics
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    • v.32 no.3
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    • pp.378-395
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    • 1994
  • The purpose of this study was to investigate the effect of various metal surface treatments and adhesive systems on the flexural bond strength of composite resin to Au-Ag-Cu-Pd alloy. The specimens were divided into nine groups by the combinations of surface treatment methods and adhesive systems. The types of surface treatment in this study were alumina blasting only, alumina blasting-Sn plating, alumina blasting-heating and three kinds of adhesive system used in this study were Silicoater system(Heraeus Kulzer GmbH,Germany), Superbond C & B(Sun Medical Co.,Ltd.,Japan) and Cesead opaque primer(Kurary Co.,Ltd.,Japan). After surface treatments and adhesive systems were applied, each specimen was built up with Dentacolor composite resin (Heraeus Kulzer GmbH,Germany). Four-point flexural bond strength was measured by Instron universal testing machine (Model 4301,U.S.A.) and modes of failure were observed by SEM(JEOL,SSM-840A,Japan). The obtained results were as follows: 1. The group that was bonded with Superbond C & B after alumina blasting-heating shelved the highest bond strength with significant difference among the groups, except the group with Cesead opaque primer after alumina blasting-Sn plating(P<0.05). 2. In the groups bonded with Cesead opaque primer, there was significant difference only in the bond strength between the alumina blasting-Sn plating group and alumina blasting group, where the former showed a higher bond strength(P<0.05). 3. In the groups bonded with Silicoater system, there were no significant differences in bond strength regardless of the surface treatment method(P<0.05). 4. In SEM evaluation, the groups of high bond strength, especially bonded with Superbond C & B after alumina blasting-heating and Cesead opaque primer after alumina blasting-Sn plating, revealed mainly cohesive-adhesive failure, whereas the others showed the tendency of adhesive failure.

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