• Title/Summary/Keyword: Growth lattice model

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Lattice based Microstructure Evolution Model for Monte Carlo Finite Element Analysis of Polycrystalline Materials (격자식 미세구조 성장 모델을 이용한 다결정 박막 소재의 유한 요소 해석)

  • 최재환;김한성;이준기;나경환
    • Transactions of Materials Processing
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    • v.13 no.3
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    • pp.248-252
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    • 2004
  • The mechanical properties of polycrystalline thin-films, critical for Micro-Electro-Mechanical Systems (MEMS) components, are known to have the size effect and the scatter in the length scale of microns by the numbers of intensive investigation by experiments and simulations. So, the consideration of the microstructure is essential to cover these length scale effects. The lattice based stochastic model for the microstructure evolution is used to simulate the actual microstructure, and the fast and reliable algorithm is described in this paper. The kinetics parameters, which are the key parameters for the microstructure evolution based on the nucleation and growth mechanism, are extracted from the given micrograph of a polycrystalline material by an inverse method. And the method is verified by the comparison of the quantitative measures, the number of grains and the grain size distribution, for the actual and simulated microstructures. Finite element mesh is then generated on this lattice based microstructure by the developed code. And the statistical finite element analysis is accomplished for selected microstructure.

Effect of Annealing on c-axis Orientation of $PbTiO_3$ Thin Films by D.C magnetron Reactive Sputtering (D.C Magnetron Reactive Sputtering 법으로 증착한 $PbTiO_3$ 박막의 열처리에 따른 c-축 배향성의 변화)

  • 이승현;권순용;최한메;최시경
    • Journal of the Korean Ceramic Society
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    • v.33 no.7
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    • pp.802-808
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    • 1996
  • PbTiO3 thin films were fabricated onto MgO(100) single crystal substrate by reactive D. C magnetron sput-tering of Pb and Ti metal in an oxygen and argon gas mixture. The annealing of the thin films resulted in the decrease of both the c-axis orientation ratio and the lattice parameter. It is well known that the c-axis lattice parameter of thin film is dependent on the Pb/(Pb+Ti)ratio and the residual stress in the film The PbTiO3 thin films with a Pb/(Pb+T) ratio ranging from 0.45 to 0.57 were fabricated and annealed. The structure of the film the c-axis orientation ratio and the lattice parameter were not dependent on the Pb/(Pb+Ti) ratio before and after annealing. These experimental results proved that the decrease of the c-axis lattice parameter under the annealing conditions was due to the relaxation of the intrinsic stress in the film. This relaxation of the intrinsic stress caused the decrease of the c-axis orientation ratio and this phenomenon can be explained by c-axis growth lattice model.

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Direct Numerical Simulation of the Nucleate Pool Boiling Using the Multiphase Lattice Boltzmann Method : Preliminary Study (다상 격자 볼츠만 방법을 이용한 수조 핵비등 직접 수치 모사: 예비 연구)

  • Ryu, Seung-Yeob;Ko, Sung-Ho
    • The KSFM Journal of Fluid Machinery
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    • v.14 no.6
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    • pp.45-53
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    • 2011
  • Multiphase lattice Boltzmann method (LBM) has been used to simulate the nucleate pool boiling directly. For the phase change model, the thermal model and the Stefan boundary condition were introduced to the isothermal LBM. The phase change model was validated by the bubble growth in a superheated liquid under no gravity. The bubble growth on and departure from a superheated wall has been simulated successfully. The preliminary results showed that the detail process of nucleate pool boiling was in good agreement with the experimental results.

Crystallography Analysis of the β-Mg17Al12 Precipitates by the Secondary Constrained Coincident Site Lattice Model

  • Huang, Xuefei;Huang, Weigang
    • Applied Microscopy
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    • v.45 no.4
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    • pp.230-235
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    • 2015
  • Crystallographic models are effective tools to interpret, calculate and even to predict the preferred crystallographic morphologies of precipitates in various precipitation systems. The present study gives an introduction on the recently developed secondary constrained coincident site lattice (II-CCSL) model. Using the II-CCSL model, the interface matching condition of the ${\beta}-Mg_{17}Al_{12}$ precipitates with ${\alpha}-Mg$ matrix in an aged AZ91 alloy has been analyzed to rationalize the morphologies of the precipitates. The results show that the characteristic crystallographic features of the observed ${\beta}-Mg_{17}Al_{12}$ precipitates, i.e., the habit plane of the ${\beta}-Mg_{17}Al_{12}$ lath with a Burgers orientation relationship (OR) and the growth direction of the ${\beta}-Mg_{17}Al_{12}$ with a Crawley OR exhibit a better lattice matching degree than their vicinal orientations. Moreover, the Crawley OR is preferred to the Burgers OR due to a better lattice match.

A new strain analysis model in epitaxial multilayer system (다층 구조에 대한 새로운 strain 해석 모델)

  • Jang, Dong-Hyeon;Sim, Jong-In
    • Proceedings of the Optical Society of Korea Conference
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    • 2007.07a
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    • pp.237-238
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    • 2007
  • A new strain analysis model, so called the stress matched model, in an epitaxial multilayer system is proposed. The model makes it possible to know the strain, the stress, the elastic strain energy in each epitaxial layer. Analytical formulas of strain parameters in each epitaxial layer are derived under assumptions that the substrate thickness is finite and the in-plane lattice constant is the same for all epitaxial layers for dislocation free growth. As an example, the model is applied to a 405nm InGaN/InGaN multiple quantum well laser diode. Analysis result shows that AlxGa1-xN layer with Al mole fraction of 0.06 and the thickness of 6${\mu}m$ is one of good templates for a laser. In fact, this layer structure coincides with experimentally optimized one.

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Simulation on Surface Tracking Pattern using the Dielectric Breakdown Model

  • Kim, Jun-Won;Roh, Young-Su
    • Journal of Electrical Engineering and Technology
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    • v.6 no.3
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    • pp.391-396
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    • 2011
  • The tracking pattern formed on the dielectric surface due to a surface electrical discharge exhibits fractal structure. In order to quantitatively investigate the fractal characteristics of the surface tracking pattern, the dielectric breakdown model has been employed to numerically generate the surface tracking pattern. In dielectric breakdown model, the pattern growth is determined stochastically by a probability function depending on the local electric potential difference. For the computation of the electric potential for all points of the lattice, a two-dimensional discrete Laplace equation is solved by mean of the successive over-relaxation method combined to the Gauss-Seidel method. The box counting method has been used to calculate the fractal dimensions of the simulated patterns with various exponent $\eta$ and breakdown voltage $\phi_b$. As a result of the simulation, it is found that the fractal nature of the surface tracking pattern depends strongly on $\eta$ and $\phi_b$.

Development of a Numerical Model for Cake Layer Formation Process on Membrane (멤브레인 케이크 레이어 형성 과정 모사를 위한 수치 모델의 개발)

  • Kim, Kyung-Ho;Shin, Jae-Ho;Lee, Sang-Hwan;Lee, Ju-Hee
    • The KSFM Journal of Fluid Machinery
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    • v.14 no.6
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    • pp.35-44
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    • 2011
  • Membrane filtration has become firmly established as a primary process for ensuring the purity, safety and efficiency of treatment of water or effluents. Several researches have been performed to develop and design membrane systems in order to increase the accuracy and performance of the processes. In this study, a lattice Boltzmann method for the cake layer has been developed using particle dynamics based on an immersed boundary method and the cake layer formation process on membrane has been numerically simulated. Case studies including various particle sizes were also performed for a microfiltration process. The growth rate of the cake layer thickness and the permeation flow rate along the membranes were predicted. The results of this study agreed well with that of previous experiments. Effects of various particle diameters on the membrane performance were studied. The cake layer of a large particle tended to be growing fast and the permeation flow going down rapidly at the beginning. The layer thickness of a small particle increased constantly and the flow rate was smaller than that of the large particle at the end of simulation time.

Modeling and Composition Method of Collective Behavior of Interactive Systems for Knowledge Engineering (지식공학을 위한 상호작용 시스템의 집단 행위 모델링 및 합성 방법)

  • Song, Junsup;Rahmani, Maryam;Lee, Moonkun
    • Journal of KIISE
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    • v.44 no.11
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    • pp.1178-1193
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    • 2017
  • It is very important to understand system behaviors in collective pattern for each knowledge domain. However, there are structural limitations to represent collective behaviors because of the size of system components and the complexity of their interactions, causing the state explosion problem. Further composition with other systems is mostly impractical because of exponential growth of their size and complexity. This paper presents a practical method to model the collective behaviors, based on a new concept of domain engineering: behavior ontology. Firstly, the ontology defines each collective behavior of a system from active ontology. Secondly, the behaviors are formed in a quantifiably abstract lattice, called common regular expression. Thirdly, a lattice can be composed with other lattices based on quantifiably common elements. The method can be one of the most innovative approaches in representing system behaviors in collective pattern, as well as in minimization of system states to reduce system complexity. For implementation, a prototype tool, called PRISM, has been developed on ADOxx Meta-Modelling Platform.

Oxide perovskite crystals type ABCO4:application and growth

  • Pajaczkowska, A.
    • Proceedings of the Korea Association of Crystal Growth Conference
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    • 1996.06a
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    • pp.258-292
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    • 1996
  • In the last year great interest appears to YBCO thin films preparation on different substrate materials. Preparation of epitaxial film is a very difficult problem. There are many requirements to substrate materials that must be fullfilled. Main problems are lattice mismatch (misfit) and similarity of structure. From paper [1] or follows that difference in interatomic distances and angles of substrate and film is mire important problem than similarity of structure. In this work we present interatomic distances and angle relations between substrate materials belonging to ABCO4 group (where A-Sr or Ca, B-rare earth element, C-Al or Ga) of different orientations and YBCO thin films. There are many materials used as substrates for HTsC thin films. ABCO4 group of compounds is characterized by small dielectric constants (it is necessary for microwave applications of HTsC films), absence of twins and small misfit [2]. There most interesting compounds CaNdAlO4, SrLaAlO4 and SrLaGaO4 were investigated. All these compounds are of pseudo-perovskite structure with space group 14/mmm. This structure is very similar to structure of YBCO. SLG substrate has the lowest misfit (0.3%) and dielectric constant. For preparation of then films of substrates of this group of compound plane of <100> orientation are mainly used. Good quality films of <001> orientations are obtained [3]. In this case not only a-a misfit play role, but c-3b misfit is very important too. Sometimes, for preparation of thin films substrates of <001> and <110> orientations were manufactured [3]. Different misfits for different YBCO faces have been analyzed. It has been found that the mismatching factor for (100) face is very similar to that for (001) face so there is possibility of preparation of thin films on both orientations. SrLaAlO4(SLA) and SrLaGaO4(SLG) crystals of general formula ABCO4 have been grown by the Czochralski method. The quality of SLA and SLG crystals strongly depends on axial gradient of temperature and growth and rotation rates. High quality crystals were obtained at axial gradient of temperature near crystal-melt interface lower than 50℃/cm, growth rate 1-3 mm/h and the rotation rate changing from 10-20pm[4]. Strong anisotropy in morphology of SLA and SLG single crystals grown by the Czochralski method is clearly visible. On the basics of our considerations for ABCO4 type of the tetragonal crystals there can appear {001}, {101}, and {110} faces for ionic type model [5]. Morphology of these crystals depend on ionic-covalent character of bonding and crystal growth parameters. Point defects are observed in crystals and they are reflected in color changes (colorless, yellow, green). Point defects are detected in directions perpendicular to oxide planes and are connected with instability of oxygen position in lattice. To investigate facets formations crystals were doped with Cr3+, Er3+, Pr3+, Ba2+. Chromium greater size ion which is substituted for Al3+ clearly induces faceting. There appear easy {110} faces and SLA crystals crack even then the amount of Cr is below 0.3at.% SLG single crystals are not so sensitive to the content of chromium ions. It was also found that if {110} face appears at the beginning of growth process the crystal changes its color on the plane {110} but it happens only on the shoulder part. The projection of {110} face has a great amount of oxygen positions which can be easy defected. Pure and doped SLA and SLG crystals measured by EPR in the<110> direction show more intensive lines than in other directions which allows to suggest that the amount of oxygen defects on the {110} plane is higher. In order to find the origin of colors and their relation with the crystal stability, a set of SLA and SLG crystals were investigated using optical spectroscopy. The colored samples exhibit an absorption band stretching from the UV absorption edge of the crystal, from about 240 nm to about 550 m. In the case of colorless sample, the absorption spectrum consists of a relatively weak band in the UV region. The spectral position and intensities of absorption bands of SLA are typical for imperfection similar to color centers which may be created in most of oxide crystals by UV and X-radiation. It is pointed out that crystal growth process of polycomponent oxide crystals by Czochralski method depends on the preparation of melt and its stoichiometry, orientation of seed, gradient of temperature at crystal-melt interface, parameters of growth (rotation and pulling rate) and control of red-ox atmosphere during seeding and growth (rotation and pulling rate) and control of red-ox atmosphere during seeding and growth. Growth parameters have an influence on the morphology of crystal-melt interface, type and concentration of defects.

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High quality topological insulator Bi2Se3 grown on h-BN using molecular beam epitaxy

  • Park, Joon Young;Lee, Gil-Ho;Jo, Janghyun;Cheng, Austin K.;Yoon, Hosang;Watanabe, Kenji;Taniguchi, Takashi;Kim, Miyoung;Kim, Philip;Yi, Gyu-Chul
    • Proceedings of the Korean Vacuum Society Conference
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    • 2016.02a
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    • pp.284-284
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    • 2016
  • Topological insulator (TI) is a bulk-insulating material with topologically protected Dirac surface states in the band gap. In particular, $Bi_2Se_3$ attracted great attention as a model three-dimensional TI due to its simple electronic structure of the surface states in a relatively large band gap (~0.3 eV). However, experimental efforts using $Bi_2Se_3$ have been difficult due to the abundance of structural defects, which frequently results in the bulk conduction being dominant over the surface conduction in transport due to the bulk doping effects of the defect sites. One promising approach in avoiding this problem is to reduce the structural defects by heteroepitaxially grow $Bi_2Se_3$ on a substrate with a compatible lattice structure, while also preventing surface degradation by encapsulating the pristine interface between $Bi_2Se_3$ and the substrate in a clean growth environment. A particularly promising choice of substrate for the heteroepitaxial growth is hexagonal boron nitride (h-BN), which has the same two-dimensional (2D) van der Waals (vdW) layered structure and hexagonal lattice symmetry as $Bi_2Se_3$. Moreover, since h-BN is a dielectric insulator with a large bandgap energy of 5.97 eV and chemically inert surfaces, it is well suited as a substrate for high mobility electronic transport studies of vdW material systems. Here we report the heteroepitaxial growth and characterization of high quality topological insulator $Bi_2Se_3$ thin films prepared on h-BN layers. Especially, we used molecular beam epitaxy to achieve high quality TI thin films with extremely low defect concentrations and an ideal interface between the films and substrates. To optimize the morphology and microstructural quality of the films, a two-step growth was performed on h-BN layers transferred on transmission electron microscopy (TEM) compatible substrates. The resulting $Bi_2Se_3$ thin films were highly crystalline with atomically smooth terraces over a large area, and the $Bi_2Se_3$ and h-BN exhibited a clear heteroepitaxial relationship with an atomically abrupt and clean interface, as examined by high-resolution TEM. Magnetotransport characterizations revealed that this interface supports a high quality topological surface state devoid of bulk contribution, as evidenced by Hall, Shubnikov-de Haas, and weak anti-localization measurements. We believe that the experimental scheme demonstrated in this talk can serve as a promising method for the preparation of high quality TI thin films as well as many other heterostructures based on 2D vdW layered materials.

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