• Title/Summary/Keyword: grain boundary energy

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Effect of serrated grain boundary on stress corrosion cracking of Alloy 600

  • Kim, H.P.;Choi, M.J.;Kim, S.W.;Kim, D.J.;Lim, Y.S.;Hwang, S.S.
    • Nuclear Engineering and Technology
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    • v.50 no.7
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    • pp.1131-1137
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    • 2018
  • The effect of a serrated grain boundary on stress corrosion cracking (SCC) of Alloy 600 was investigated in terms of improvement of SCC resistance. Serrated grain boundaries and straight grain boundaries were obtained by controlled heat treatment. SCC cracks preferentially initiated and grew at grain boundaries normal to the tensile loading axis. Resolved tensile stress normal to the grain boundary was lower in serrated grain boundaries compared to straight grain boundaries. The specimen with serrated grain boundaries showed higher SCC resistance than that with straight grain boundaries due to a lower resolved tensile stress normal to the grain boundary.

Computer simulation study for the effect of potential energy on the behavior of grain boundary using Molecular dynamics

  • Choi, Dong-Youl;Kim, Hyun-Soo;Kim, Young-Suk;Tomita, Yoshihiro
    • Proceedings of the Korean Society for Technology of Plasticity Conference
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    • 1999.03b
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    • pp.173-178
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    • 1999
  • In this study MD simulations have been performed to observe the behavior of a grain boundary in an a-Fe plate under 2-dimensional loading. In MD simulation the acceleration of every molecule can be achieved from the potential energy and the force interacting between each molecule and the integration of the motion equation by using Verlet method gives the displacement of each molecule. Initially four a-Fe rectangular plates having different misorientation angles of grain boundary were modeled by using the Johnson potential and Morse potential We compared the potential energy of the grain boundary system with that of the perfect structure model. Also we could obtain the width of the grain boundary by investigating the local potential energy distribution. The tensile loading for each grain boundary models was applied and the behavior of grin boundary was studied. From this study it was clarified that in the case using Johnson potential the obvious fracture mechanism occurs along the grain boundary in the case of Morse potential the diffusion of the grain boundary appears instead of the grain boundary fracture.

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The Effect of Microstructure on the Ionic Conductivity in the $Bi_2O_3-CaO$ System ($Bi_2O_3-CaO$계에서의 미세구조가 이온 전도도에 미치는 영향)

  • 백현덕
    • Journal of the Korean Ceramic Society
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    • v.32 no.3
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    • pp.359-365
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    • 1995
  • The grain boundary effect on the ionic conductivity was investigated using a.c. admittance analysis in (Bi2O3)0.715(CaO)0.285 oxygen-ion conducting solid electrolyte. As a separated arc representing grain boundary polarization was not observed in the admittance plane, bulk conductivity was measrued for samples with various grain sizes in the temperature range from 48$0^{\circ}C$ to 72$0^{\circ}C$ and the conductivity distribution between grain interior and grain boundary was determined by the reported analytical methods. In the above temperature range, grain boundary worked as a high conductive path instead of blocking layer and ionic conduction through grain boundary was significant. The activation energy for conduction through grain and grain boundary was 78 and 106 kJ/mol, respectively.

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Grain Boundary Characteristics and Stress-induced Damage Morphologies in Sputtered and Electroplated Copper Films (스퍼터링 및 전기 도금으로 제조된 구리 박막에서의 표면 결함에 미치는 결정립계의 영향)

  • Park, Hyun;Hwang, Soo-Jung;Joo, Young-Chang
    • Proceedings of the Korean Institute of Surface Engineering Conference
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    • 2003.05a
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    • pp.4-4
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    • 2003
  • Various Cu films were fabricated using sputtering and electroplating with and without additive, and their surface damages after annealing were investigated. After annealing at 43SoC, the difference between damage morphologies of the films was observed. In some films stress-induced grooves along the grain boundaries were observed, while in the others voids at the grain boundary triple junctions were observed. It was also observed that the stress-induced groove was formed along the high energy grain boundaries. It was found out that the difference of the morphologies of surface damages in Cu films depends on not process type but grain boundary characteristics. To explain the morphological difference of surface damages, a simple parameter considering the contributions of grain structures and grain boundary characteristics to surface and grain boundary diffusions is suggested. The effective grain boundary area, which is a function of grain size, film thickness and the fraction of high energy grain boundaries, played a key role in the morphological difference.

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Effects of Serrated Grain Boundary Structures on Boron Enrichment and Liquation Cracking Behavior in the Simulated Weld Heat-Affected Zone of a Ni-Based Superalloy (니켈기 초내열합금의 파형 결정립계 구조가 보론 편석과 재현 열영향부 액화균열거동에 미치는 영향)

  • Hong, Hyun-Uk;Choi, June-Woo;Bae, Sang-Hyun;Yoon, Joong-Geun;Kim, In-Soo;Choi, Baig-Gyu;Kim, Dong-Jin;Jo, Chang-Yong
    • Journal of Welding and Joining
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    • v.31 no.3
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    • pp.31-38
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    • 2013
  • The transition of serrated grain boundary and its effect on liquation behavior in the simulated weld heat-affected zone (HAZ) have been investigated in a wrought Ni-based superalloy Alloy 263. Recently, the present authors have found that grain boundary serration occurs in the absence of adjacent coarse ${\gamma}^{\prime}$ particles or $M_{23}C_6$ carbides when a specimen is direct-aged with a combination of slow cooling from solution treatment temperature to aging temperature. The present study was initiated to determine the interdependence of the serration and HAZ property with a consideration of this serration as a potential for the use of a hot-cracking resistant microstructure. A crystallographic study indicated that the serration led to a change in grain boundary character as special boundary with a lower interfacial energy as those terminated by low-index {111} boundary planes. It was found that the serrated grain boundaries are highly resistant to boron enrichment, and suppress effectively grain coarsening in HAZ. Furthermore, the serrated grain boundaries showed a higher resistance to susceptibility of liquation cracking. These results was discussed in terms of a significant decrease in interfacial energy of grain boundary by the serration.

Analysis of Grain Boundary Oxidation in $(Ba, Sr)TiO_3$-based PTCR Ceramics by $\mu-AES$ and $DV-X\alpha$ Energy Simulation ($(Ba, Sr)TiO_3$계 PTCR 세라믹스의 입계산화에 대한 $\mu-AES$ 분석 및 $DV-X\alpha$ 궤도에너지 계산모사)

  • 김명철;강영석;허수형;박순자
    • Journal of the Korean Ceramic Society
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    • v.31 no.6
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    • pp.587-594
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    • 1994
  • (Ba, Sr)TiO3-based PTCR ceramics were sintered and cooled down with various cooling conditions in the air. AES was applied to investigate the composition change in the grain boundary and bulk area of oxidatively cooled samples. Ba component was deficit in grain boundary region, while oxygen was abundant than bulk region. The discrete changes of oxygen binding energies were confirmed in the grain boundary region of the heavily oxidized samples. It was supposed that the large binding energy shift resulted from the oxidation of the segregated Mn in grain boundary region and this idea was supported by the DV-X$\alpha$ molecular energy simulation.

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Stability of the Grain Configurations of Thin Films-a Model for Agglomeration (박막내 결정립 배열의 열적 불안정성1)-응집 모델)

  • Na, Jong-Ju;Park, Jung-Geun
    • 연구논문집
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    • s.27
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    • pp.183-200
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    • 1997
  • We have calculated the energy of three distinct grain configurations, namely completely connected, partially connected and unconnected configurations, evolving during a spheroidization of polycrystalline thin film by extending a geometrical model due to Miller et al. to the case of spheroidization at both the surface and film-substrate interface. "Stabilitl" diagram defining a stable region of each grain configuration has been established in terms of the ratio of grain size to film thickness vs. equilibrium wetting or dihedral angles at various interface energy conditions. The occurrence of spheroidization at the film-substrate interface significantly enlarges the stable region of unconnected grain configuration thereby greatly facilitating the occurrence of agglomeration. Complete separation of grain boundary is increasingly difficult with a reduction of equilibrium wetting angle. The condition for the occurrence of agglomeration differs depending on the equilibrium wetting or dihedral angles. The agglomeration occurs, at low equilibrium angles, via partially connected configuration containing stable holes centered at grain boundary vertices, whereas it occurs directly via completely connected configuration at large equilibrium angles except for the case having small surface and/or film-substrate interface energy. The initiation condition of agglomeration is defined by the equilibrium boundary condition between the partially connected and unconnected configurations for the former case, whereas it can, for the latter case, largely deviate from the equilibrium boundary condition between the completely connected and unconnected configurations because of the presence of a finite energy barrier to overcome to reach the unconnected grain configuration.

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Effects of an artificial hole on the crystal growth of large grain REBCO superconductor

  • Lee, Hwi-Joo;Hong, Yi-Seul;Park, Soon-dong;Jun, Byung-Hyuk;Kim, Chan-Joong;Lee, Hee-Gyoun
    • Progress in Superconductivity and Cryogenics
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    • v.20 no.3
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    • pp.5-10
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    • 2018
  • This study presents that various grain boundary junctions are prepared by controlling the seed orientation combined with an artificial hole in a melt process REBCO bulk superconductor. Large grain YBCO superconductors have been fabricated with various grain boundary junctions that the angle between the grain boundary and the <001> axis of Y123 crystal is $0^{\circ}$, $30^{\circ}$ and $45^{\circ}$, respectively. The presence of the artificial hole is beneficial for the formation of clean grain boundary junction and single peak trapped magnetic field profiles have been obtained. Artificial hole makes two growth fronts meet at a point on a periphery of the artificial hole. The presence of artificial hole is not likely to affect on the distribution of Y211 particles. The newly formed <110> facet lines are explained by the formation of new Y123/liquid interface with (010) crystallographic plane.

Computational and Experimental Study of Grain Growth in WC-Co and WC-VC-Co Cemented Carbides

  • Shin, Soon-Gi
    • Korean Journal of Materials Research
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    • v.19 no.11
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    • pp.588-595
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    • 2009
  • The knowledge of grain growth of carbide particles is very important for manufacturing micrograined cemented carbides. In the present study, continuous and discontinuous grain growth in WC-Co and WC-VC-Co cemented carbides is investigated using the Monte Carlo computer simulation technique. The Ostwald ripening process (solution/re-precipitation) and the grain boundary migration process are assumed in the simulation as the grain growth mechanism. The effects of liquid phase fraction, grain boundary energy and implanted coarse grain are examined. At higher liquid phase content, mass transfer via solid/liquid interfaces plays a major role in grain growth. Growth rate of the implanted grain was higher than that of the matrix grains through solution/re-precipitation and coalescence with neighboring grains. The results of these simulations qualitatively agree with experimental ones and suggest that distribution of liquid phase and carbide particle/carbide grain boundary energy as well as contamination by coarse grain are important factors controlling discontinuous grain growth in WC-Co and WC-VC-Co cemented carbides. The contamination by coarse grains must by avoided in the manufacturing process of fine grain cemented carbides, especially with low Co.

Proton Conduction in Nonstoichiometric Σ3 BaZrO3 (210)[001] Tilt Grain Boundary Using Density Functional Theory

  • Kim, Ji-Su;Kim, Yeong-Cheol
    • Journal of the Korean Ceramic Society
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    • v.53 no.3
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    • pp.301-305
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    • 2016
  • We investigate proton conduction in a nonstoichiometric ${\Sigma}3$ $BaZrO_3$ (210)[001] tilt grain boundary using density functional theory (DFT). We employ the space charge layer (SCL) and structural disorder (SD) models with the introduction of protons and oxygen vacancies into the system. The segregation energies of proton and oxygen vacancy are determined as -0.70 and -0.54 eV, respectively. Based on this data, we obtain a Schottky barrier height of 0.52 V and defect concentrations at 600K, in agreement with the reported experimental values. We calculate the energy barrier for proton migration across the grain boundary core as 0.61 eV, from which we derive proton mobility. We also obtain the proton conductivity from the knowledge of proton concentration and mobility. We find that the calculated conductivity of the nonstoichiometric grain boundary is similar to those of the stoichiometric ones in the literature.