• Title/Summary/Keyword: Bond order

Search Result 792, Processing Time 0.026 seconds

Potential Energy Curves and Geometrical Structure Variations for [MX4]2- : M=Ni(II), Pd(II), Pt(II); X=Cl-, Br-) Dissociating into ([MX3]- + X-) : Ab Initio Study

  • Park, Jong-Keun;Kim, Bong-Gon;Koo, In-Sun
    • Bulletin of the Korean Chemical Society
    • /
    • v.26 no.11
    • /
    • pp.1795-1802
    • /
    • 2005
  • Potential energy curves and internuclear (M-X) distance variations for dissociation reactions of $[MX_4]^{2-}$ into ($[MX_3]^-$ + $X^-$) have been calculated using ab initio Hartree-Fock (HF), second order M$\ddot{o}$ller-Plesset perturbation (MP2), and Density Functional Theory (DFT) methods with a triple zeta plus polarization (TZP) basis set. The equilibrium geometrical structures of $[MX_4]^{2-}$ are optimized to tetrahedral geometry for $[NiX_4]^{2-}$ and square planar geometry for ($[PdX_4]^{2-}$ and $[PtX_4]^{2-}$). The bond (M-X) distances of $[NiCl_4]^{2-}$, $[NiBr_4]^{2-}$, $[PdCl_4]^{2-}$, $[PdBr_4]^{2-}$, $[PtCl_4]^{2-}$, and $[PtBr_4]^{2-}$ at the DFT level are 2.258, 2.332, 2.351, 2.476, 2.367, and 2.493 $\AA$, respectively. The dissociation energies for the bond dissociation of ($[MX_3]^-$${\cdot}{\cdot}{\cdot}$$X^-$) at the DFT level are found to be 4.73 eV for $[NiCl_4]^{2-}$, 4.89 eV for $[NiBr_4]^{2-}$, 4.93 eV for $[PdCl_4]^{2-}$, 5.57 eV for $[PdBr_4]^{2-}$, 5.44 eV for $[PtCl_4]^{2-}$, and 5.87 eV for $[PtBr_4]^{2-}$. As the (M${\cdot}{\cdot}{\cdot}$X) distance of ($[MX_3]^-$${\cdot}{\cdot}{\cdot}$$X^-$) increases, the distance variation (Rt) of trans (M-X) bond at the trans-position is shorter than those (Rc) of two cis (M-X) bonds at the cisposition. Simultaneously the atomic charge variation of trans-X atom is more positive than those of equilibrium $[MX_4]^{2-}$ structures, while the variation of leaving X group is more positive.

Determination of Removal Time of the Side Form in High Strength Concrete (고강도콘크리트 시공시 측면 거푸집 탈형시기의 결정)

  • Han Cheon-Goo;Han Min-Cheol
    • Journal of the Korea Concrete Institute
    • /
    • v.16 no.3 s.81
    • /
    • pp.327-334
    • /
    • 2004
  • In this paper, method for the determination of removal time of the side forms in high strength concrete are discussed using the estimation model of compressive strength development, the development of bond strength and rebound number of P type Schmidt hammer in order to review the validity of existing regulation as to side form removal and offer effective quality control method. According to the results, as W/B increases by $10\%$, the setting time is shortened by about 2 hours. In the scope of the paper, required time to gain 8MPa of compressive strength is determined about 17 ${\~}$20 hours of age and $21{\~}25^{\circ}D{\cdot}D$ of maturity. Bond strength between form and concrete shows the highest value around final setting time, but decreases drastically after that. Amount of concrete sticking on the form is large before setting completed, but after that, its amount shows decline tendency. The rebound value test with P type schmidt hammer can be started faster by 2${\~}$3 hours than compressive strength test. It is also confirmed that the removal of forms is possible when the rebound value of P type schmidt hammer is more than 32. It is found from the results that existing regulation regarding removal time of the side form of high strength concrete provided in KCI needs no revision because required time to gain the strength provided in KCI has no adverse effect on strength development at early age and surface condition during stripping the side form. Effective procedure to decide the removal time of side form can be performed by applying P type Schmidt hammer.

Comuarative Evaluation on Strength of Several Grout-filled Splice Sleeve (각종 그라우트 충전식 철근이음의 내력에 대한 비교평가)

  • Kim Hyong-Kee
    • Journal of the Korea Concrete Institute
    • /
    • v.16 no.5 s.83
    • /
    • pp.635-643
    • /
    • 2004
  • In this study, the tensile strength of 321 full-sized grout-filled splice steeve specimens were compared and analyzed in order to afford the data for a reasonable and economical design of this system. The experimental variables analyzed in this study were embedment length of reinforcing bars, compressive strength of grout, sleeve geometry, loading pattern and final failure mode of specimen. Following main conclusions are obtained : 1) The strength of grout-filled splice sleeve tends to be improved with increasing compressive strength of grout and embedment length of reinforcing bars. Specially this tendency appears apparent in specimens of bond failure rather than rebar failure. 2) The results of this study show that the sleeve geometry have influence on the bond strength of grout-filled splice sleeve. 3) The grout-filled splice sleeve of bond failure don't show the difference of tensile strength according to size of rebar. 4) It is verified that the tensile strength required in ACI and domestic code is retained either when the compressive strength of grout over 70 MPa is used with embedment length of reinforcing bars over 4.5d or when the compressive strength of grout over 80 MPa is used with embedment length of rebars over 3.9d. 5) It is verified that the tensile strength required in AIJ code is retained in case when the embedment length of reinforcing bars is 0.8 times the rebar diameter longer than in ACI code.

Improvement of the Adhesion Properties between Aluminum and a Parylene-C Film by Using the Duoplasmatron Ion Source (Duoplasmatron Ion Source를 이용한 Parylene과 Al의 접착력 향상에 관한 연구)

  • Choi, Sung-Chang
    • Journal of the Korean Vacuum Society
    • /
    • v.21 no.2
    • /
    • pp.78-85
    • /
    • 2012
  • In order to improve the adhesion between poly-monochloro-para-xylylene (Parylene-C) film and Aluminum thin film, the surface of Parylene-C film was irradiated by ${O_2}^+$ and $Ar^+$ ion beam generated by duoplamatron ion source. The ion dose of $Ar^+$ and ${O_2}^+$ was changed from $5{\times}10^{14}$ to $1{\times}10^{17}/cm^2$ and the ion beam energy was 1 kV. Contact angles of water on Parylene-C modified by $Ar^+$ and ${O_2}^+$ ion irradiation decreased from $78^{\circ}$ to around $17^{\circ}$, and $9^{\circ}$, respectively. X-ray photoelectron spectroscopy analysis shows that the hydrophilic groups were formed on the surface of Parylene-C by chemical reaction between the unstable chains induced by the ion irradiation and oxygen ions or residual oxygen gas. The hydrophilic groups were identified as C-O bond, C=O bond and (C=O)-O bond. The cross cut tape test which was applied to characterize the adhesion between Al thin film and Parylene-C film modified by ${O_2}^+$ ions irradiation shows that the adhesion strength was improved as increasing ion dose.

MORPHOLOGICAL CHANGES OF DENTIN SURFACE TREATED WITH VARIOUS DENTIN SURFACE CONDITIONERS (수종(數種) 표면처리제(表面處理劑)에 의(依)한 상아질(象牙質) 표면(表面)의 형태(形態) 변화(變化)에 관(關)한 연구(硏究))

  • Cho, Jin-Ho;Choi, Ho-Young;Min, Byung-Soon;Park, Sang-Jin
    • Restorative Dentistry and Endodontics
    • /
    • v.13 no.2
    • /
    • pp.323-334
    • /
    • 1988
  • The purpose of this study was to observe the effect of dentin surface conditioners on the dentin surfaces. Freshly extracted human molars were used in this study. They were stored at $4^{\circ}C$ saline solution before experiment. The crown portions of the teeth were cut in various directions by means of wet diamond point to expose dentin which include transverse, vertical oblique, horizontal and oblique cut to the long axis (Fig. 1). Each tooth was then mounted with self curing acrylic resin in brass ring to expose the flattened dentin surfaces. Final finish was accomplished by grinding the dentin specimens with wet No. 180 and No. 600 grit silicon carbide abrasive paper until a 6.0mm in diameter on a dentin surface was exposed without pulp exposure. The specimens were divided into 9 groups according to the modes of dentin treatment procedure. The following surface treatments were applied on these preparation surfaces; Group 1: unetched (control group) after finish with No. 600 silicon carbide abrasive paper. Group 2: etched with 30% phosphoric acid for 60s Group 3: etched with 10-3 solution for 60s Group 4: Cleaned with 5% NaOCl for 30s Group 5: applied Dentin Adhesit Group 6: cleaned with 5% NaOCl followed by applying the Dentin Adhesit$^{(R)}$ Group 7: applied Photo Bond on the unetched dentin followed by applying the Photo Clearfil Bright Group 8: Etched with 30% phosphoric acid followed by applying Photo Bond and Photo Clearfil Bright Group 9: etched with 10-3 solution followed by applying Photo Bond and Photo Clearfil Bright All the specimens were stored in $37^{\circ}C$ under 50% relative humidity for 24 hours before observations. The specimens in 7, 8, and 9 group, omitting the group 1 to 6, were demineralized in 10% HCl for 10s in order to observe the resin tags. All the specimens in each group were then dried at room temperature. The dried specimens were ion coated with Eiko ion coater (Eiko-engineering Co.), and observed in Hitachi S-430 Scanning electron microscope (Hitachi, Co. Tokyo) at 15KV. The following results were obtained as follows; 1. The smear layers were still remained in group 1,2,4,5, and 6. 2. There is no effect of 5% NaOCl and 30% phosphoric acid on the changes of dentin morphology 3. The dentin treated with 10-3 solution, indicating the tubules opened when the smear layer and the dental plug dissolved. 4. In case of applying the bonding agents the resin tag was not formed at the deep area of dentinal tubules, but in case of applying the Dentin Adhesit$^{(R)}$ that was not.

  • PDF

Mechanical Properties and Field Implementation of Floor Mortar Incorporated with VAE Polymer (VAE 폴리머를 이용한 모르타르 바닥재의 역학적 특성과 현작 적용성)

  • Bang, Jin-Wook;Lee, Sun-Mok;Kim, Yun-Yong
    • Journal of the Korea institute for structural maintenance and inspection
    • /
    • v.21 no.3
    • /
    • pp.27-34
    • /
    • 2017
  • Recently, the importance of the industrial warehouse floor has been increasing due to the development of the distribution and logistics industry. In this present study, an early-hardening polymer floor mortar which can compensate for the limitation of conventional cement based floor mortar regarding fluidity and long curing time was developed. In order to achieve the early-hardening of mortar characteristic ultra rapid hardening cement was used as binder. Four types of mixture proportions in accordance with the vinyl acetate ethylene(VAE) polymer contents with range from 10% to 20% and the other proto proportion without VAE polymer were designed. Mechanical experiments including the fluidity test, compressive strength test, bending test, bond test, and abrasion test were conducted for all mixture proportions. From the flow test result, it was possible to achieve the high flow with 250 mm by controlling the amount of superplasticizer. The incorporation of VAE polymer was found to affect the compressive strength reduction, however, the flexural strength was higher than that of the proto mixture, and it was evaluated to increase the compressive strength / flexural strength ratio. Moreover, at least 2.6 times higher bond strength and more than 4 times higher abrasion resistance were secured. From the mechanical experiments results, the optimum mixing ratio of the VAE polymer was determined to be 10%. As a result of application and monitoring, it shows that it has excellent resistance to cracking, discoloration, impact, and scratch as well as bond performance compared to the cement based floor mortar.

EFFECTS OF DENTIN SURFACE WETNESS OR DESICCATION AFTER ACID ETCHING ON DENTIN BONDING (산부식후 상아질 표면의 습윤 또는 건조가 상아질 결합에 미치는 영향)

  • Yang, Won-Kyung;Kwon, Hyuk-Choon;Son, Ho-Hyun
    • Restorative Dentistry and Endodontics
    • /
    • v.25 no.2
    • /
    • pp.243-253
    • /
    • 2000
  • The purpose of this in vitro study was to evaluate dentin bonding by two different dentin bonding systems(DBS) using acetone based primer or adhesive [All Bond 2(AB2), One Step(OS)] when they were applied by wet or dry bonding technique. Morphology of resin-dentin interface and hybrid layer thickness(HLT) were investigated using Confocal Laser Scanning Microscope(CLSM) and compared to shear bond strength(SBS). 72 extracted sound human molars were randomly divided into 4 groups of 18 teeth each - Group 1.(AW); AB2 by wet bonding. Group 2(AD); AB2 by dry bonding. Group 3.(OW); OS by wet bonding, Group 4.(OD); OS by dry bonding. In 6 teeth of each group, notch-shaped class V cavities(depth 2mm) were prepared on buccal and lingual surface at the cementoenamel juction(12 cavities per group). To obtain color contrast in CLSM observation, bonding resins of each DBS were mixed with rhodamine B and primer of AB2 was mixed with sodium fluorescein. Prepared teeth of each group were treated with AB2, OS, respectively according to the manufacturer's instructions except for dentin surface moisture treatment after acid etching. In group 1 and 3, after acid etching, excess water was removed with wet tissue(Kimwipes), leaving consistently shiny, visibly hydrated dentin surface. In group 2 and 4, dentin surface was dried for 10 seconds at 1 inch distance. The treated teeth were then packed with composite resin(${\AE}$litefil) and light-cured. 12 microscopic samples($60{\sim}80{\mu}m$ thickness) of each group were obtained after longitudinal section and grinding(Exakt cutting and grinding system). Morphological investigation of resin-dentin interface and HLT measurement using CLSM were done. For measurement of SBS, remaining 12 teeth of each group were flattened occlusally to remove all enamel and grinded to 500 grit SiC(Pedemet Specimen Preparation Equipment). After applying DBS on the exposed dentin surface, composite resin was applied in the shape of cylinder, which has 5mm diameter, 1.5mm thickness, and light cured. SBS was measured using Instron with a crosshead speed of 0.5mm/min. It was concluded as follows, 1. HLT of AW(mean: $2.59{\mu}m$) was thicker than any other group, and followed by AD, OW, OD in descending order(mean; 2.37, 2.28, $1.92{\mu}m$). Only OD had statistically significant differences(p<0.05) to AW and AD. 2. There were intimate contact of resin and dentin at the interface in wet bonding groups, but gaps or irregular interfaces were observed in dry bonding groups. 3. The length, diameter, density of resin tags were various even in the same group without significant differences between groups and lots of adhesive lateral branches were observed. 4. There were no statistically significant difference of SBS between AB2 and OS, but SBS of wet bonding groups were significantly higher(p<0.05) than dry bonding groups. 5. There were no consistent relationships between HLT and SBS.

  • PDF

A Fundamental Study on Shearing/Bonding Characteristics of Interface Between Rock Mass and Backfills in Mine Openings (폐광산 채움재와 암반 경계부의 전단 및 접합특성에 관한 기초 연구)

  • Kim, Byung-Ryeol;Lee, Hyeon-woo;Kim, Young-Jin;Cho, Kye-Hong;Choi, Sung-Oong
    • Tunnel and Underground Space
    • /
    • v.31 no.6
    • /
    • pp.623-646
    • /
    • 2021
  • As the demand for electric power increases with acceleration of electrification at home and abroad, the needs for coal-fired electrical power plant are accordingly increased. However, these coal-fired electrical power plants induce also many environmental problems such as increase of air pollutants, increase of possibility of land contamination by reclamation of coal ash, even though these power plants have a good economical efficiency. In case of a by-product of coal-fired electrical power plants, only 70% of them are recycled and the remaining 30% of by-product are fully buried in surrounding ground. Consequently, this study deals with coal ash backfilling mechanism in abandoned mine openings for the purposes of increasing the coal ash recycling rate as well as securing the mine area stability. In order to analyze the backfill and ground reinforcement by interaction between rock mass and backfills, the copying samples of discontinuous surface with different roughnesses were produced for bond strength tests and direct shear tests. And statistical analysis was also conducted to decide the characteristics of bond and shear behavior with joint roughness and their curing day. Numerical simulations were also analyzed for examining the effect of interface behavior on ground stability.

Ensemble Learning with Support Vector Machines for Bond Rating (회사채 신용등급 예측을 위한 SVM 앙상블학습)

  • Kim, Myoung-Jong
    • Journal of Intelligence and Information Systems
    • /
    • v.18 no.2
    • /
    • pp.29-45
    • /
    • 2012
  • Bond rating is regarded as an important event for measuring financial risk of companies and for determining the investment returns of investors. As a result, it has been a popular research topic for researchers to predict companies' credit ratings by applying statistical and machine learning techniques. The statistical techniques, including multiple regression, multiple discriminant analysis (MDA), logistic models (LOGIT), and probit analysis, have been traditionally used in bond rating. However, one major drawback is that it should be based on strict assumptions. Such strict assumptions include linearity, normality, independence among predictor variables and pre-existing functional forms relating the criterion variablesand the predictor variables. Those strict assumptions of traditional statistics have limited their application to the real world. Machine learning techniques also used in bond rating prediction models include decision trees (DT), neural networks (NN), and Support Vector Machine (SVM). Especially, SVM is recognized as a new and promising classification and regression analysis method. SVM learns a separating hyperplane that can maximize the margin between two categories. SVM is simple enough to be analyzed mathematical, and leads to high performance in practical applications. SVM implements the structuralrisk minimization principle and searches to minimize an upper bound of the generalization error. In addition, the solution of SVM may be a global optimum and thus, overfitting is unlikely to occur with SVM. In addition, SVM does not require too many data sample for training since it builds prediction models by only using some representative sample near the boundaries called support vectors. A number of experimental researches have indicated that SVM has been successfully applied in a variety of pattern recognition fields. However, there are three major drawbacks that can be potential causes for degrading SVM's performance. First, SVM is originally proposed for solving binary-class classification problems. Methods for combining SVMs for multi-class classification such as One-Against-One, One-Against-All have been proposed, but they do not improve the performance in multi-class classification problem as much as SVM for binary-class classification. Second, approximation algorithms (e.g. decomposition methods, sequential minimal optimization algorithm) could be used for effective multi-class computation to reduce computation time, but it could deteriorate classification performance. Third, the difficulty in multi-class prediction problems is in data imbalance problem that can occur when the number of instances in one class greatly outnumbers the number of instances in the other class. Such data sets often cause a default classifier to be built due to skewed boundary and thus the reduction in the classification accuracy of such a classifier. SVM ensemble learning is one of machine learning methods to cope with the above drawbacks. Ensemble learning is a method for improving the performance of classification and prediction algorithms. AdaBoost is one of the widely used ensemble learning techniques. It constructs a composite classifier by sequentially training classifiers while increasing weight on the misclassified observations through iterations. The observations that are incorrectly predicted by previous classifiers are chosen more often than examples that are correctly predicted. Thus Boosting attempts to produce new classifiers that are better able to predict examples for which the current ensemble's performance is poor. In this way, it can reinforce the training of the misclassified observations of the minority class. This paper proposes a multiclass Geometric Mean-based Boosting (MGM-Boost) to resolve multiclass prediction problem. Since MGM-Boost introduces the notion of geometric mean into AdaBoost, it can perform learning process considering the geometric mean-based accuracy and errors of multiclass. This study applies MGM-Boost to the real-world bond rating case for Korean companies to examine the feasibility of MGM-Boost. 10-fold cross validations for threetimes with different random seeds are performed in order to ensure that the comparison among three different classifiers does not happen by chance. For each of 10-fold cross validation, the entire data set is first partitioned into tenequal-sized sets, and then each set is in turn used as the test set while the classifier trains on the other nine sets. That is, cross-validated folds have been tested independently of each algorithm. Through these steps, we have obtained the results for classifiers on each of the 30 experiments. In the comparison of arithmetic mean-based prediction accuracy between individual classifiers, MGM-Boost (52.95%) shows higher prediction accuracy than both AdaBoost (51.69%) and SVM (49.47%). MGM-Boost (28.12%) also shows the higher prediction accuracy than AdaBoost (24.65%) and SVM (15.42%)in terms of geometric mean-based prediction accuracy. T-test is used to examine whether the performance of each classifiers for 30 folds is significantly different. The results indicate that performance of MGM-Boost is significantly different from AdaBoost and SVM classifiers at 1% level. These results mean that MGM-Boost can provide robust and stable solutions to multi-classproblems such as bond rating.

Study on grindability of ferrite (페라이트의 연삭성에 관한 연구)

  • Kim, Seong-Cheong;Lee, Jae-U
    • Transactions of the Korean Society of Mechanical Engineers A
    • /
    • v.21 no.9
    • /
    • pp.1507-1519
    • /
    • 1997
  • This paper aims to clarify the effects of grinding conditions on bending strength in surface grinding of various ferrites with the resin bond diamond wheel. The main conclusions obtained were as follows. At a constant material removal rate, the strength improves with increased wheel depth of cut and decreased workpiece speed. It is desirable to grind at higher peripheral wheel speed and under the critical workpiece speed presented in this paper. Grinding the ferrite of higher brittleness, the wheel depth of cut limited to hold 50% of their inherent strength becomes lower. The effect of various grinding conditions on bending strength becomes more larger in the order of Sr, Mn-Zn and Cu-Ni-Zn. When using the diamond grain of the lower toughness, the bending strength becomes higher, and the wheel wear occurs faster. Considering both bending strength and wheel wear rate, the best concentration of wheel is 100. The ground surfaces exhibit that the fracture process during grinding becomes more brittle in the order of Sr, Mn-Zn and Cu-Ni-Zn.