• Title/Summary/Keyword: Metal bond

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Safety assessment of biological nanofood products via intelligent computer simulation

  • Zhao, Yunfeng;Zhang, Le
    • Advances in nano research
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    • v.13 no.2
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    • pp.121-134
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    • 2022
  • Emerge of nanotechnology impacts all aspects of humans' life. One of important aspects of the nanotechnology and nanoparticles (NPs) is in the food production industry. The safety of such foods is not well recognized and producing safe foods using nanoparticles involves delicate experiments. In this study, we aim to incorporate intelligent computer simulation in predicting safety degree of nanofoods. In this regard, the safety concerns on the nano-foods are addressed considering cytotoxicity levels in metal oxides nanoparticles using adaptive neuro-fuzzy inference system (ANFIS) and response surface method (RSM). Three descriptors including chemical bond length, lattice energy and enthalpy of formation gaseous cation of 15 selected NPs are examined to find their influence on the cytotoxicity of NPs. The most effective descriptor is selected using RSM method and dependency of the toxicity of these NPs on the descriptors are presented in 2D and 3D graphs obtained using ANFIS technique. A comprehensive parameters study is conducted to observe effects of different descriptors on cytotoxicity of NPs. The results indicated that combinations of descriptors have the most effects on the cytotoxicity.

Characterion of Calcium Phosphate Films Grown on Surgicl Ti-6AI-4V By Ion Beam Assisted Deposition

  • Lee, I-S.;Song, J-S.;Choi, J-M;Kim, H-E.
    • Journal of the Korean Vacuum Society
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    • v.7 no.s1
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    • pp.30-36
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    • 1998
  • The plasma-spray technique is currently the most frequently used method to produce calcium phosphate coatings. Hydroxyapatite(HAp), one form of calcium phosphate, is preferred by its ability to form a direct bond with living bone, resulting in improvements of implant fixation and faster bone healing. Recently, concerns have been raised regarding the viable use and long-term stability of plasma-spray HAp coatings due to its nature of comparatively thick, porous, and poor bonding strength to metal implants. Thin layers (maximum of few microns) of calcium phosphate were formed by an e-beam evaporation with and without ion bombardments. The Ca/P ration of film was controlled by either using the evaporants having the different ration of Ca/P with addition of CaO, or adjusting the ion beam assist current. The Ca/P ration had great effects on the structure formation after heat treatment and the dissolution bahavior. The calcium phosphate films produced by IBAD exhibited high adhesion strength.

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The Corrosion Protection Performance of Al and Al-5%Mg Coatings Deposited on Steel Surface by Arc Thermal Metal Spray (강재 표면에 아크 금속 용사된 Al 및 Al-5 % Mg 코팅의 방지 성능)

  • Adnin, Raihana Jannat;Lee, Han-Seung
    • Proceedings of the Korean Institute of Building Construction Conference
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    • 2021.05a
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    • pp.140-141
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    • 2021
  • Arc thermal spray process is widely used to protect the steel from corrosion and abrasion. In the present study, two different coatings i.e. Al and Al-5%Mg were used to compare their corrosion resistance performance and the effect of 5% Mg addition in the properties of deposited coating. The SEM results showed the more compact and less porous morphology of Al-5%Mg coating compared to Al. The corrosion resistance performance of both deposited coatings was studied in artificial ocean water with exposure periods and results are compared. The total impedance values of Al-5%Mg at 0.01 Hz exhibited highest with exposure periods might be attributed to the coating and corrosion products nature and morphology compared to Al coating.

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The Influence of Water Storage on Mechanical Properties of Adhesive Resin (수중 보관이 접착용 레진의 물리적 성질에 미치는 영향)

  • Kim, Won-Chan;Lee, Kwang-won;Lee, Jeong;Yu, Mi-Kyoung;Kim, Jeong-Hee
    • Journal of Dental Rehabilitation and Applied Science
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    • v.22 no.2
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    • pp.193-202
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    • 2006
  • Objective To evaluate the influence of water storage on the mechanical properties of dental adhesives over 1 and 3 months. Materials and Methods Adhesive resin sheets were prepared by pouring either All-bond 2(AB), Clearfil SE Bond(SE) into a mold measuring $15{\times}15{\times}0.9mm$. After solvent in primer evaporation, the adhesives were light-cured and removed from the mold and divided in two pieces, trimmed to hourglass shape that were used to determine the micro-tensile strength(MTS). Another hourglass shaped metal mold measuring $2.0{\times}1.5mm$ in cross-section area was made to determine the Young's modulus(E). Adhesive specimens for Young's modulus(E) were prepared in the same method. Specimens were stored at $37^{\circ}C$ in distilled water and tested after 1 and 3 months. The data were analyzed by one-way ANOVA and Tukey's test. Results Water storage significantly decreased the micro-tensile strength(MTS) of AB and SE specimens after 1 and 3 months(P<0.05). The Young's modulus(E) were also decreased after water storage for 1 and 3 months, but statistically not significant in each group of AB and SE group respectively. Conclusions Long-term exposure of adhesive resin to water can cause reduction of mechanical properties. It may compromise resin/dentin bonds and affect longevity of restorations.

Properties of $T_1-OH-T_2$(T1 = Al, B and T2 = P, Si) Bridges on Metal-Substituted $AlPO_4-5$ Molecular Sieves : MNDO Calculations (금속-치환 $AlPO_4-5$ 분자체에서 가교 $T_1-OH-T_2(T_1$=Al,B 그리고 $T_2$= P, Si)에 대한 성질 : MNDO)

  • Son, Man Sik;Baek, U Hyeon
    • Journal of the Korean Chemical Society
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    • v.38 no.1
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    • pp.1-7
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    • 1994
  • Semiempirical MNDO calculations are employed to study ionicity of OH groups and stability in $T_1-OH-T_2bridges(T_1$ = Al, B and $T_2$ = P, Si) such as found in aluminophosphate family($AlPO_4-5$, BAPO-5, and SAPO-5) molecular sieves. Dimeric model clusters of Al-OH-P, B-OH-P and Al-OH-Si bridges were considered. It is shown that the elongation of the T-O bond, upon replacement of Al by B, occurs preferentially by a local deformation of the Al-O-P bridge. But the elongation of the T-O bond occurs preferentially by a rotation of Al-O-Si bridge upon substitution P for Si. Also, the ionicity of OH groups and stability increase in order to B-OH-P < Al-OH-P < Al-OH-Si bridge.

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Theoretical Studies on Electronic Structure and Absorption Spectrum of Prototypical Technetium-Diphosphonate Complex 99mTc-MDP

  • Qiu, Ling;Lin, Jian-Guo;Gong, Xue-Dong;Ju, Xue-Hai;Luo, Shi-Neng
    • Bulletin of the Korean Chemical Society
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    • v.32 no.7
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    • pp.2358-2368
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    • 2011
  • Density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations, employing the B3LYP method and the LANL2DZ, 6-31G$^*$(LANL2DZ for Tc), 6-31G$^*$(cc-pVDZ-pp for Tc) and DGDZVP basis sets, have been performed to investigate the electronic structures and absorption spectra of the technetium-99m-labeled methylenediphosphonate ($^{99m}Tc$-MDP) complex of the simplest diphosphonate ligand. The bonding situations and natural bond orbital compositions were studied by the Mulliken population analysis (MPA) and natural bond orbital (NBO) analysis. The results indicate that the ${\sigma}$ and ${\pi}$ contributions to the Tc-O bonds are strongly polarized towards the oxygen atoms and the ionic contribution to the Tc-O bonding is larger than the covalent contribution. The electronic transitions investigated by TDDFT calculations and molecular orbital analyses show that the origin of all absorption bands is ascribed to the ligand-to-metal charge transfer (LMCT) character. The solvent effect on the electronic structures and absorption spectra has also been studied by performing DFT and TDDFT calculations at the B3LYP/6-31G$^*$(cc-pVDZ-pp for Tc) level with the integral equation formalism polarized continuum model (IEFPCM) in different media. It is found that the absorption spectra display blue shift in different extents with the increase of solvent polarity.

Etching Mechanism Of Bi4-xEuxTiO12 (BET) Thin films Using Ar/CF4 Inductively Coupled Plasma (Ar/CF4 유도결합 플라즈마를 이용한 BET 박막의 식각 메카니즘)

  • 임규태;김경태;김동표;김창일
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.16 no.4
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    • pp.298-303
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    • 2003
  • Bi$_4$-$_{x}$EU$_{x}$Ti$_3$O$_{12}$ (BET) thin films were etched by inductively coupled CF$_4$/Ar plasma. We obtained the maximum etch rate of 78 nm/min at the gas mixing ratio of CF$_4$(10%)/Ar(90%). The variation of volume density for F and Ar atoms are measured by the optical emission spectroscopy. As CF$_4$increased in CF$_4$/Ar plasma, the emission intensities of F increase, but Ar atoms decrease, which confirms our suggestion that emission intensity is proportional to the volume density of atoms. From X-ray photoelectron spectroscopy, the intensities of the Bi-O, the Eu-O and the Ti-O peaks are changed. By pure Ar plasma, intensity peak of the oxygen-metal (O-M : TiO$_2$, Bi$_2$O$_3$, Eu$_2$O$_3$) bond was seemed to disappear while the intensity of pure oxygen peak showed an opposite tendency. After the BET thin films was etched by CF$_4$/Ar plasma, the peak intensity of O-M bond increase slowly, but more quickly than that of peak belonged to pure oxygen atoms due to the decrease of Ar ion bombardment. Scanning electron microscopy was used to investigate etching Profile. The Profile of etched BET thin film was over 85$^{\circ}$./TEX>.

Dimeric Silver(I) Complex: Bis(dipropyldithiophosphato) bis(1,10-phenanthroline) Disilver(I); Dimeric Silver(I) Complex: Bis(dipropyldithiophosphato) bis(1,10-phenanthroline) Disilver(I);Ag2[Phen]2[S2P(OPr)2]2 (은(I)화합물:비스(디프로필디싸이오포스페이토)비스(1,10-펜안트로린)이온(I);Ag2[Phen]2[S2P(OPr)2]2)

  • Fang Fang Jian;Hai Lian Xiao;Huan Xiang Wang;Kui Jiao
    • Journal of the Korean Chemical Society
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    • v.47 no.1
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    • pp.26-30
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    • 2003
  • The dinuclear $Ag_2[Phen]_2[S_2P(OPr)_2]_2$(phen=1,10-phenanthroline; Pr=propyl), was prepared by the reaction of bis(dipropyldithiophosphato) silver(I) complex with 1,10-phenanthroline ligand, and its structure was determined by X-ray crystallography. The two dipropyldithiophosphato ligands each bridge two silver atoms to form an eight-membered $Ag_2S_4P_2$ ring, while the 1,10-phenanthroline molecule coordinates to a silver atom to complete the local tetrahedral geometry for the metal ion. The Ag-S bond distances are 2.559(1) and 2.567(1)${\AA}$, and the Ag-N bond distances are 2.366(3) and 2.471(3)${\AA}$.

Friction, Wear and Adhesion of HVOF Coating of Co-alloy Powder

  • Cho, Tong-Yul;Yoon, Jae-Hong;Song, Ki-Oh;Joo, Yun-Kon;Fang, Wei;Zhang, Shihong;Youn, Suk-Jo;Chun, Hui-Gon;Hwang, Soon-Young
    • Proceedings of the Korean Institute of Surface Engineering Conference
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    • 2007.11a
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    • pp.61-62
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    • 2007
  • HVOF thermal spray coating of micron size Co-alloy powder has been studied for the durability improvement of high velocity spindle (HVS). Optimal coating process of this system for the best surface properties is hydrogen flow rate 75 FMR, oxygen flow rate 38-42 FMR, feed rate 30 g/min at spray distance 5 inch. Friction coefficient (FC) and wear trace (WT) decrease increasing coating surface temperature from 25$^{\circ}$C to 538$^{\circ}$C due to the higher lubricant effects of the oxides at the higher temperature. At the study of adhesion of T800 coating on a light metal alloy Ti-6Al-4V (Ti64) tensile bond strength (TBS) and tensile fracture location (TFL) of Ti64/T800 are 8,740 psi and near middle of T800 coating respectively. This shows that adhesion of Ti64/T800 is higher than the cohesion strength (8,740 psi) of T800 coating. Therefore T800 coating is strongly advisable for the surface coating on HVS such as high speed air-bearing spindle.

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Characteristics of Electric Resistance Dual Spot Welding Process of AZ31 Magnesium Alloy Sheets (AZ31 마그네슘 합금 판재의 전기저항 이중 스폿용접 특성)

  • Sun, Xiao-Guang;Jin, In-Tai
    • Journal of the Korean Society of Manufacturing Process Engineers
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    • v.21 no.3
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    • pp.1-11
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    • 2022
  • In this study, an electric resistance dual-spot welding process using a copper electrode inserted in a heating electrode is suggested for the spot welding of AZ31 magnesium sheets. This spot-welding process involves two heating methods for welding at the interfacial zone between the magnesium sheets, one of which is the heating method by thermal conduction from the heating electrode heated by the welding current induced to the steel electrode, and the other heating method uses the electric resistance between the contacted surfaces of the two sheets by the welding current induced to the copper electrode. This welding process includes the welding variables, such as the current induced in the heating electrode and the copper electrode, and the outer diameters of the heating electrode. This is because the heat conducted from the heating electrode can be maintained at a higher temperature in the welding zone, which has a slow cooling effect on the nugget of the melted metal after the welding step. The pressure exerted during the pressing of the magnesium sheets by the heating electrode can be increased around the nugget zone at the spot-welding zone. Thus, it not only reduces the warping effect of the elastoplastic deformation of sheets, but also the corona bond can make it less prone to cracking at the welded zone, thereby reducing the number of nuggets expelled out of the corona bond. In conclusion, it was known that an electric resistance dual spot welding process using the copper electrode inserted in the heating electrode can improve the welding properties in the electric resistance spot welding process of AZ31 magnesium sheets.