• Computers and Concrete
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• v.15 no.6
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• pp.989-999
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• 2015

An advanced continuum-based multi-physical single particle model was recently introduce for the hydration of tricalcium silicate ($C_3S$). In this model, the dissolution and the precipitation events are modeled as two different yet simultaneous chemical reactions. Product precipitation involves a nucleation and growth mechanism wherein nucleation is assumed to happen only at the surface of the unreacted core and product growth is characterized via a two-step densification mechanism having rapid growth of a low density initial product followed by slow densification. Although this modeling strategy has been shown to nicely mimic all stages of $C_3S$ hydration - dissolution, dormancy (induction), the onset of rapid hydration, the transition to slow hydration and prolonged reaction - the major criticism is that many adjustable parameters are required. If formulated correctly, however, the model parameters are shown here to be statistically independent and significant.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 2008.04a
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• pp.56-59
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• 2008

This paper presents results of a parametric study for a constitutive model (Lee et ai, 1989) for particle-reinforced composites considering weakened interfaces and crack nucleation. Eshelby's tensors for particles with imperfect interfaces (Ju and Chen, 1994) and microcracks (Sun and Ju, 2004) are incorporated into a micromechanical formulation. A parametric study for the microcrack nucleation parameter ${\phi}_{{\upsilon}0}$ and ${\epsilon}^{th}$ is conducted to investigate the sensitivity of the parameter to the constitutive model.

• Journal of Magnetics
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• v.15 no.4
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• pp.169-172
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• 2010

The coercivity mechanism in permanent magnets was analyzed according to the effects of domain nucleation and domain wall pinning. The coercivity mechanism of a TbCo thin film with high perpendicular magnetic anisotropy was considered in terms of the local inhomogeneity in the thin film. The initial magnetization curves of the TbCo thin films demonstrated domain wall pinning to be the main contributor to the coercivity mechanism than domain nucleation. Based on the coercivity model proposed by Kronmuller et al., the inhomogeneity size acting as a domain wall pinning site was determined. Using the measured values of perpendicular anisotropy constant ($K_u$), saturation magnetization ($M_s$), and coercivity ($H_c$), the inhomogeneity size estimated in a TbCo thin film with high coercivity was approximately 9 nm.

• BMB Reports
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• v.42 no.9
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• pp.541-551
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• 2009

Amyloidogenesis defines a condition in which a soluble and innocuous protein turns to insoluble protein aggregates known as amyloid fibrils. This protein suprastructure derived via chemically specific molecular self-assembly process has been commonly observed in various neurodegenerative disorders such as Alzheimer's, Parkinson's, and Prion diseases. Although the major culprit for the cellular degeneration in the diseases remains unsettled, amyloidogenesis is considered to be etiologically involved. Recent recognition of fibrillar polymorphism observed mostly from in vitro amyloidogeneses may indicate that multiple mechanisms for the amyloid fibril formation would be operated. Nucleation-dependent fibrillation is the prevalent model for assessing the self-assembly process. Following thermodynamically unfavorable seed formation, monomeric polypeptides bind to the seeds by exerting structural adjustments to the template, which leads to accelerated amyloid fibril formation. In this review, we propose another in vitro model of amyloidogenesis named double-concerted fibrillation. Here, two consecutive assembly processes of monomers and subsequent oligomeric species are responsible for the amyloid fibril formation of $\alpha$-synuclein, a pathological component of Parkinson's disease, following structural rearrangement within the oligomers which then act as a growing unit for the fibrillation.

• Korean Journal of Materials Research
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• v.11 no.7
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• pp.615-621
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• 2001

We carried out the kinetic model calculations in order to estimate the nucleation rates for two kinds of half-loop dislocations in highly strained hetero-epitaxial growths; $60^{\circ}$dislocations and twinning dislocations. The surface defects and the stress concentration effects were considered in this model, and the remaining elastic strain of the epilayers with increasing film thickness was taken into account by using the modified Matthews' relation. The calculations showed that the stress concentration effect at surface imperfections is very important for describing the defect generation in highly mismatched epitaxial growth. This work also showed that the stress concentration effect determined the type of dislocation nucleating dominantly at early growth stages in accordance with our XTEM (cross-section transmission electron microscopy) defect observation.

• 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.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.24 no.2 s.173
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• pp.472-480
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• 2000

A macroscopic yield criterion for porous solids with pressure-sensitive matrices modeled by Coulomb's yield criterion was obtained by generalizing Gurson's yield criterion with consideration of the hydrostatic yield stresses for a spherical thick-walled shell and by fitting the finite element results of a voided cube. The macroscopic yield criterion is valid for negative mean normal stresses as well as for positive mean normal stresses. From the yield criterion, a plastic potential function for the porous solids was derived either for plastic normality flow or for plastic non-normality flow of pressure- sensitive matrices. In addition, the elastic relation, an evolution equation of the plastic flow stress of the matrices and an evolution equation of the void volume fraction were presented to complete a set of constitutive relations. The set of constitutive relations was implemented into a finite element code ABAQUS to analyze the material behavior of rubber-toughened epoxies. The cavitation and the deformation behavior were analyzed around a crack tip under three-point bending and around notch tips under four-point bending. In the numerical analyses, the cavitation of rubber particles was considered via a stress-controlled nucleation model. The numerical results indicate that a reasonable cavitation zone can be obtained with void nucleation controlled by the macroscopic mean normal stress, and a plastic zone is smaller around a notch tip under compression than under tension. These numerical results agree well with corresponding experimental results on the cavitation and plastic zones.

• Journal of Magnetics
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• v.20 no.1
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• pp.31-39
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• 2015

Macroscopic hysteresis loops and microscopic magnetic moment distributions have been determined by a three-dimensional (3D) model for exchange-coupled Sm-Co/${\alpha}-Fe$/Sm-Co trilayers with in-plane collinear easy axes. These results are carefully compared with the popular one-dimensional (1D) micromagnetic models and recent experimental data. It is found that the results obtained from the two methods match very well, especially for the remanence and coercivity, justifying the calculations. Both nucleation and coercive fields decrease monotonically as the soft layer thickness $L^s$ increases while the largest maximum energy product (roughly 50 MGOe) occurs when the thicknesses of hard and soft layers are 5 nm and 15 nm, respectively. Moreover, the calculated angular distributions in the thickness direction for the magnetic moments are similar. Nevertheless, the calculated nucleation and pinning fields as well as the energy products by 3D OOMMF are systematically smaller than those given by the 1D model, due mainly to the stray fields at the corners of the films. These demagnetization fields help the magnetic moments at the corners to deviate from the previous saturation state and facilitate the nucleation. Such an effect enhances as $L^s$ increases. When the thicknesses of hard and soft layers are 10 nm and 20 nm, respectively, the pinning field difference is as large as 30%, while the nucleation fields have opposite signs.

• 한국신재생에너지학회:학술대회논문집
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• 2006.06a
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• pp.425-428
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• 2006

Natural gas hydrate has been a major problem for its plugging nature in the pipeline. With the demand of deep-water production, the importance of flow assurance technology, preventing hydrate, asphaltene and wax in the pipeline becomes bigger Kinetic models combined with the flow simulator are being developed to explain the nature of hydrate plug formation in the pipeline. To simulate the hydrate plug formation, each stage including the nucleation, growth and agglomeration should be considered. The hydrate nucleation is known to be stochastic and is believed hard to be predicted. Recent publications showed hydrate growth and agglomeration can be observed rigorously using a particle size analyzer. However properties of the hydrate should be investigated to model the growth and agglomeration. The attractive force between hydrate particles, supposed to be the capillary force, was revealed to be stochastic. Alternative way to model the hydrate agglomeration is to simulate by the discrete element method. Those parameters, particle size distribution, attractive force, and growth rate are embedded into the kinetic model which is combined Into the flow simulator. When compared with the flowloop experimental data, hydrate kinetic model combined into a flow simulator showed good results. With the early results, the hydrate kinetic model is promising but needs more efforts to improve it.

• Proceedings of the Korean Society of Precision Engineering Conference
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• 2012.10a
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• pp.707-708
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• 2012