• 한국정밀공학회지
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• 제27권3호
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• pp.104-110
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• 2010

Cyclic deformations of polymer foam film are simulated using the finite element method. Material of polymer foam film is polypropylene (PP). The calculated polymer foam film is micro-scale thin film has cellular structure. The polymer foam film is used in ferro-electret applications. The polymer foam film is idealized to one cell structure as lens shaped stretched truncated octahedron model. Cyclic deformation is performed by uniaxial stretching. Stretching direction is perpendicular to plane of cellular film. Various cyclic strain amplitudes, pore wall thicknesses, pore shape are investigated to find deformation tendency of cellular structure. Consequently, cellular structure has various macroscopic stresses on cyclic deformation with various pore thickness and pore shape.

• 한국정밀공학회:학술대회논문집
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• 한국정밀공학회 2008년도 추계학술대회 논문집
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• pp.217-218
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• 2008

• 한국재료학회:학술대회논문집
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• 한국재료학회 2011년도 춘계학술발표대회
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• pp.21.1-21.1
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• 2011

Controlling the morphology of a metal nanocrystal is critical to modern materials chemistry because its physical and chemical properties can be easily and widely tuned by tailoring the size and shape. Combined with ease of synthesis and processing, metal nanocrystals with desired morphologies and thus properties are promising candidates for a wide variety of applications in catalysis, sensing, imaging, electronics, and photonics, and medicine. In this talk, I would like to introduce my recent research results on the shape-controlled synthesis of metal nanocrystals using a simple aqueous method. This water-based system provides a number of merits such as simplicity, convenience, and the potential for large-scale production and enables us to synthesize metal nanocrystals with a rich variety of shapes such as truncated octahedron, cubes, bars, octahedrons, and thin plates. The ability to control the shape of metal nanocrystals provides a great opportunity to systematically investigate their catalytic and optical properties.

• 약학회지
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• 제54권1호
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• pp.67-74
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• 2010

Some of the benzopyrene (BP)-DNA adduct are known to build intercalated motif between flanking base pairs in damaged DNA depending on the structural condition. The size of benzopyrene itself is definitely not comparable with any of the DNA bases and thus the question whether the lesion of some base pair by insertion of benzopyrene can happen with or without a dramatic distortion of the helical structure is a highly interesting theme. In this work we used a molecular dynamics simulation based on the theory of molecular mechanics. The specific consequences about the structural properties of the intercalated structures and benzopyrene motif in minor groove of the double helix are deduced after 5 ns simulation time.

• 한국세라믹학회지
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• 제48권6호
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• pp.493-498
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• 2011

Optimal atomic configurations in a nanoparticle were predicted by genetic algorithm. A truncated octahedron with a fixed composition of 1 : 1 was investigated as a model system. A Python code for genetic algorithm linked with a molecular dynamics method was developed. Various operators were implemented to accelerate the optimization of atomic configuration for a given composition and a given morphology of a nanoparticle. The combination of random mix as a crossover operator and total_inversion as a mutation operator showed the most stable structure within the shortest calculation time. Pt-Ag core-shell structure was predicted as the most stable structure for a nanoparticle of approximately 4 nm in diameter. The calculation results in this study led to successful prediction of the atomic configuration of nanoparticle, the size of which is comparable to that of practical nanoparticls for the application to the nanocatalyst.