• Title/Summary/Keyword: Crystal grain size

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Molecular Dynamics Simulation of Nano-Deformation Behavior of the Grain-Size Controlled Rheology Material (분자동력학을 이용한 결정립 제어 레오로지 소재의 나노 변형거동 전산모사)

  • Kim J. W.;Youn S. W.;Kang C. G.
    • Transactions of Materials Processing
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    • v.14 no.4 s.76
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    • pp.319-326
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    • 2005
  • In this study, the nano-deformation behavior of semi-solid Al-Si alloy was investigated using a molecular dynamics simulation as a part of the research on the surface crack behavior in thixoformed automobile parts. The microstructure of the grain-size controlled Al-Si alloy consists of primary and eutectic regions. In eutectic regions the crack initiation begins with initial fracture of the eutectic silicon particles and inside other intermetallic phases. Nano-deformation characteristics in the eutectic and primary phase of the grain-size controlled Al-Si alloy were investigated through the molecular dynamics simulation. The primary phase was assumed to be single crystal aluminum. It was shown that the vacancy occurred at the zone where silicon molecules were.

Preparation and Crystalline Growth Properties of Diamond Thin Film by Microwave Plasma CVD (MWPCVD법에 의한 다이아몬드 박막의 제조 및 결정성장 특성)

  • ;;A. Fujishima
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2000.07a
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    • pp.905-908
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    • 2000
  • The growth properties of diamond grain were examined by Raman spectroscopy and microscope images. Diamond thin films were prepared on single crystal Si wafers by microwave Plasma chemical vapor deposition. Preparation conditions, substrate temperature, boron concentration and deposition time were controlled differently. Prepared diamond thin films have different surface morphology and grain size respectively Diamond grain size was gradually changed by substrate temperature. The biggest diamond grain size was observed in the substrate, which has highest temperature. The diamond grain size by boron concentration was slightly changed but morphology of diamond grain became amorphous according to increasing of boron concentration. Time was also needed to be a big diamond grain. However, time was not a main factor for being a big diamond grain. Raman spectra of diamond film, which was deposited at high substrate temperature, showed sharp peaks at 1334$cm^{-1}$ / and these were characteristics of crystalline diamond. A broad peak centered at 1550$cm^{-1}$ /, corresponding to non-diamond component (sp$^2$carbon), could be observed in the substrate, which has low temperature.

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Preparation of Porous Glass-Ceramics by the Sintering (소결법에 의한 다공질 결정화유리의 제조)

  • 박용완;이준영
    • Journal of the Korean Ceramic Society
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    • v.31 no.10
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    • pp.1218-1230
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    • 1994
  • In manufacturing process of porous glass-ceramics by the filler method, the sintering behaviour of crystallizable glass powder mixed with various salts was studied and also the effects of precipitated crystal phases on the properties of porous glass-ceramics were investigated. Fine-grained crystallizable glass powder was homogeneously mixed with various slat having grain size 100~200 ${\mu}{\textrm}{m}$ and sintered for densification. After washing out the inorganic salt with distilled water, the porous sintered body was heat treated additionly for crystallization. The MgO-Al2O3-SiO2 base glass was used as crystallizable glass powder and the water soluble salts such as K2SO4 and MgSO4 were used as filler. When K2SO4 was used, leucite crystal phase was formed as a result of the ion exchange and porous glass-ceramics which exhibit high temperature resistance and high thermal expansion coefficient of 17$\times$10-6/$^{\circ}C$ could be obtained. On the contrary, when MgSO4 was used, only slight ion exchange is observed and $\mu$-cordierite and $\alpha$-cordierite crystal phases were formed and porous glass-ceramics which exhibit low thermal expansion coefficient schedule were determined with the results of DTA curves, thermal shrinkage curves and XRD patterns analysis. From DTA curves and thermal shrinkage curves, it was found that the sintering densification have been completed at the temperature range of exothermic peak for crystallization. The pore size distributions and pore diameters were measured by mercury porosimeter. The pore diameter of porous glass-ceramics was 10~15 ${\mu}{\textrm}{m}$ when 100~200${\mu}{\textrm}{m}$ grain size of K2SO4 was used and it was 25~30 ${\mu}{\textrm}{m}$ when the same grain size of MgSO4 was used. The porous glass-ceramics K2SO4 used shows bimodal pore size distribution and its porous skeleton structure was ascertained by SEM observation.

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Sintering phenomena and grain growth of ultra-fine spinel($MgAl_2O_4$);(II) (순수 스피넬($MgAl_2O_4$)의 입성장 및 소결현상)

  • 이형복;한영환
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.8 no.3
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    • pp.498-502
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    • 1998
  • Sintering phenomena at refractory temperature ranges, from $1400^{\circ}C$ to $1700^{\circ}C$, of the pure spinel $(MgAl_2O_4)$ are analysed and compared to the experimental data from other researchers in terms of grain size(G), density($\rho$), and activation energy(Q). The grain size and relative density relationships for the spinels present very similar trends. They exhibit two distinct regions, an intermediate sintering stage to about the 85~90% density level and what appears to be the final stage sintering region above that transition-density level. The activation energy in terms of the grain size (G) and density ($\rho$) is determined to be 670$\pm$48 (kJ/mol) in this spinel and about 590 kJ/mol for the overall temperature range in other's spinel. These values are close to other published data, 360 to 580 kJ/mol.

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Computer simulation of the effects of anisotropic grain boundary energy on grain growth in 2-D (이방성 결정립 계면에너지의 2차원 결정립 성장에 미치는 효과에 대한 컴퓨터 모사)

  • Kim, Shin-Woo
    • Journal of the Korean Crystal Growth and Crystal Technology
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    • v.22 no.4
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    • pp.178-182
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    • 2012
  • The grain growth is very important because of its great influence on the various materials properties. Therefore, in this study, the effects of anisotropic grain boundary energy on grain growth in 2-D have been investigated with a large scale phase field simulation model on PC. A $2000{\times}2000$ grid system and the initial number of grains of about 73,000 were used in the computer simulation. The anisotropic ratio of grain boundary energy, ${\sigma}_{max}/{\sigma}_{min}$, has been varied from 1 to 3. As the anisotropy increased, the grain growth exponent, n, increased from 2.05 to 2.37. The grain size distribution showed a central plateau in the isotropic case, and was changed into no central plateau and the increasing population of very small grains in the anisotropic case, resulting from slowly disappearing grains. Finally, simulated microstructures were compared according to anisotropy.

A framework for geometrically non-linear gradient extended crystal plasticity coupled to heat conduction and damage

  • Ekh, Magnus;Bargmann, Swantje
    • Multiscale and Multiphysics Mechanics
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    • v.1 no.2
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    • pp.171-188
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    • 2016
  • Gradient enhanced theories of crystal plasticity enjoy great research interest. The focus of this work is on thermodynamically consistent modeling of grain size dependent hardening effects. In this contribution, we develop a model framework for damage coupled to gradient enhanced crystal thermoplasticity. The damage initiation is directly linked to the accumulated plastic slip. The theoretical setting is that of finite strains. Numerical results on single-crystalline metal showing the development of damage conclude the paper.

Growth Behavior of Nanocrystalline CrN Coatings by Inductively Coupled Plasma (ICP) Assisted Magnetron Sputtering (유도결합 플라즈마를 이용한 마그네트론 스퍼터링으로 증착된 나노결정질 CrN 코팅막의 성장)

  • Seo, Dae-Han;Chun, Sung-Yong
    • Journal of the Korean Ceramic Society
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    • v.49 no.6
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    • pp.556-560
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    • 2012
  • Nanocrystalline CrN coatings were deposited by DC and ICP-assisted magnetron sputtering on Si (100) substrates. The influences of the ICP power on the microstructural and crystallographic properties of the coatings were investigated. For the generation of the ICP, radio frequency was applied using a dielectric-encapsulated coil antenna installed inside the deposition chamber. As the ICP power increased from 0 to 500W, the crystalline grain size decreased. It is believed that the decrease in the crystal grain size at higher ICP powers is due to resputtering of the coatings as a result of ion bombardment as well as film densification. The preferential orientation of CrN coatings changed from (111) to (200) with an increase in the ICP power. The ICP magnetron sputtering CrN coatings showed excellent surface roughness compared to the DC magnetron sputtering coatings.

A Strategy on the Growth of Large Area Polycrystalline Si Virtual Substrate Using Al-Induced Crystallization (알루미늄 유도 결정화를 이용한 대면적 다결정 Si 가상 기판 성장 전략)

  • Dohyun Kim;Kwangwook Park
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.37 no.1
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    • pp.26-35
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    • 2024
  • Aluminum-induced crystallization (AIC) as a route to reduce the fabrication cost and to obtain polycrystalline Si (p-Si) thin-film of large grain size is a promising alternative of single-crystalline (s-Si) substrate or p-Si thin-film obtained by conventional methods such as solid phase crystallization (SPC) and laser-induced crystallization (LIC). As the AIC process occurs at the interface between a-Si and Al thin-films, there are various process and interface parameters. Also, it directly means that there is a certain parametric window to obtain p-Si of large grain size having uniform crystal orientation. In this article, we investigate the effect of the various process and interface parameters to obtain p-Si of large grain size and uniform crystal orientation from the literature review. We also suggest the potential use of the p-Si as a virtual substrate for the growth of various compound semiconductors in a form of low-dimension as well as thin-film as a way for their monolithic integration on Si.

Modeling the Hall-Petch Relation of Ni-Base Polycrystalline Superalloys Using Strain-Gradient Crystal Plasticity Finite Element Method (변형구배 결정소성 유한요소해석법을 이용한 니켈기 다결정 합금의 Hall-Petch 관계 모델링)

  • Choi, Yoon Suk;Cho, Kyung-Mox;Nam, Dae-Geun;Choi, Il-Dong
    • Korean Journal of Materials Research
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    • v.25 no.2
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    • pp.81-89
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    • 2015
  • A strain-gradient crystal plasticity constitutive model was developed in order to predict the Hall-Petch behavior of a Ni-base polycrystalline superalloy. The constitutive model involves statistically stored dislocation and geometrically necessary dislocation densities, which were incorporated into the Bailey-Hirsch type flow stress equation with six strength interaction coefficients. A strain-gradient term (called slip-system lattice incompatibility) developed by Acharya was used to calculate the geometrically necessary dislocation density. The description of Kocks-Argon-Ashby type thermally activated strain rate was also used to represent the shear rate of an individual slip system. The constitutive model was implemented in a user material subroutine for crystal plasticity finite element method simulations. The grain size dependence of the flow stress (viz., the Hall-Petch behavior) was predicted for a Ni-base polycrystalline superalloy NIMONIC PE16. Simulation results showed that the present constitutive model fairly reasonably predicts 0.2%-offset yield stresses in a limited range of the grain size.

Grain Size Effect on Mechanical Properties of Polycrystalline Graphene

  • Park, Youngho;Hyun, Sangil;Chun, Myoungpyo
    • Composites Research
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    • v.29 no.6
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    • pp.375-378
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    • 2016
  • Characteristics of nanocrystalline materials are known substantially dependent on the microstructure such as grain size, crystal orientation, and grain boundary. Thus it is desired to have systematic characterization methods on the various nanomaterials with complex geometries, especially in low dimensional nature. One of the interested nanomaterials would be a pure two-dimensional material, graphene, with superior mechanical, thermal, and electrical properties. In this study, mechanical properties of "polycrystalline" graphene were numerically investigated by molecular dynamics simulations. Subdomains with various sizes would be generated in the polycrystalline graphene during the fabrication such as chemical vapor deposition process. The atomic models of polycrystalline graphene were generated using Voronoi tessellation method. Stress strain curves for tensile deformation were obtained for various grain sizes (5~40 nm) and their mechanical properties were determined. It was found that, as the grain size increases, Young's modulus increases showing the reverse Hall-Petch effect. However, the fracture strain decreases in the same region, while the ultimate tensile strength (UTS) rather shows slight increasing behavior. We found that the polycrystalline graphene shows the reverse Hall-Petch effect over the simulated domain of grain size (< 40 nm).