• 반도체디스플레이기술학회지
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• 제3권3호
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• pp.23-25
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• 2004

The defect formation energy of boron nitride (BN) nanotubes is investigated using molecular-dynamics simulation. Although the defect with tetragon-octagon pairs (4-88-4) is favored in the flat cap of BN nanotubes, BN clusters, and the growth of BN nanotubes, the formation energy of the 4-88-4 defect is significantly higher than that of the pentagon-heptagon pairs (5-77-5) defect in BN nanotubes. The 5-77-5 defect reduces the effect of the structural distortion caused by the 4-88-4 defect, in spite of homoelemental bonds.

• Journal of Magnetics
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• 제22권1호
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• pp.29-33
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• 2017

We report a micromagnetic numerical study on different quasi-crystal formations of magnetic vortices in a rich variety of dynamic transient states in soft magnetic nano-disks. Only the application of spin-polarized dc currents to a single magnetic vortex leads to the formation of topological-soliton quasi-crystals composed of different configurations of skyrmions with positive and negative half-integer numbers (magnetic vortices and antivortices). Such topological object formations in soft magnets, not only in the absence of Dzyaloshinskii-Moriya interaction but also without magnetocrystalline anisotropy, are discussed in terms of two different topological charges, the winding number and the skyrmion number. This work offers an insight into the dynamic topological-spin-texture quasi-crystal formations in soft magnets.

• Applied Microscopy
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• 제48권4호
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• pp.126-127
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• 2018

Carbon has numerous allotropes and various crystalline forms with full dimensionalities such as diamond, graphite, fullerenes, and carbon nanotubes leading a wide range of applications. Since the emerge of graphene consisting of a single atomic layer of carbon atoms, a fabrication of all-carbon-based device with combination of one-, two-, and three-dimensional carbons has become a hot issue. Here, we introduce an ultimate one-dimensional carbon atomic chain. Carbon atomic chains were experimentally created by removing atoms from monolayer graphene sheet under electron beam inside transmission electron microscope (TEM). A series of TEM images demonstrate the dynamics of carbon atomic chains over time from the formation, transformation, and then breakage.

• 공업화학
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• 제33권6호
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• pp.653-660
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• 2022

In liquid hydrogen storage tanks, tank damage or leakage in the surrounding pipes possess a major risk. Since these tanks store huge amounts of the fluid among all the liquid hydrogen process facilities, there is a high risk of leakage-related accidents. Therefore, in this study, we conducted a risk assessment of liquid hydrogen leakage for a grid-type liquid hydrogen storage tank (lattice-type pressure vessel (LPV): 18 m³) that overcame the low space efficiency of the existing pressure vessel shape. Through a commercially developed three-dimensional computational fluid dynamics program, the geometry of the site, where the liquid hydrogen storage tank will be installed, was obtained and simulations of the leakage scenarios for each situation were performed. From the computational flow analysis results, the pool formation behavior in the event of liquid hydrogen leakage was identified, and the resulting damage range was predicted.

• Journal of Photoscience
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• 제9권2호
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• pp.134-137
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• 2002

PYP consists of a water-soluble apoprotein and 4-hydroxycinnamyl chromophore bound to Cys69 via thiolester linkage, Upon absorption of a photon, the photocycle is initiated, leading to formation of several photo-intermediates. Among them, M intermediate is important to understand the signal transduction mechanism of PYP, because it is a putative signaling state. As well known, the dynamics of a protein is closely correlated with the occurrence of its function. Here we report the results of IO ns molecular dynamics (MD) simulation for the M intermediate in aqueous solution and discuss the characteristic feature of this state from a viewpoint of structural fluctuation.

• 한국자기학회:학술대회 개요집
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• 한국자기학회 2014년도 임시총회 및 하계학술연구발표회
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• pp.143-143
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• 2014

• Molecules and Cells
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• 제42권12호
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• pp.840-849
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• 2019

The spatiotemporal mitotic processes are controlled qualitatively by phosphorylation and qualitatively by ubiquitination. Although the SKP1-CUL1-F-box protein (SCF) complex and the anaphase-promoting complex/cyclosome (APC/C) mainly mediate ubiquitin-dependent proteolysis of mitotic regulators, the E3 ligase for a large portion of mitotic proteins has yet to be identified. Here, we report c-Cbl as an E3 ligase that degrades DDA3, a protein involved in spindle dynamics. Depletion of c-Cbl led to increased DDA3 protein levels, resulting in increased recruitment of Kif2a to the mitotic spindle, a concomitant reduction in spindle formation, and chromosome alignment defects. Furthermore, c-Cbl depletion induced centrosome over-duplication and centriole amplification. Therefore, we concluded that c-Cbl controls spindle dynamics and centriole duplication through its E3 ligase activity against DDA3.

• Bulletin of the Korean Chemical Society
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• 제20권5호
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• pp.587-591
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• 1999

A molecular dynamics simulation study on the structure and dynamics of Na+ ions in non-rigid dehydrated Na12-A zeolite framework at 298.15 K was conducted using the same method reported in previous studies on rigid and non-rigid Na12-A zeolite frameworks. The agreement between the experimental and calculated results for the zeolite-A framework atoms of structural parameters for non-rigid dehydrated Na12-A zeolite is generally quite good, and for the adsorbed Na+ions the agreement is acceptable. The calculated bond lengths are generally in good agreement with the experimental results and other theoretical data. The calculated IR spectrum by Fourier transform of the total dipole moment autocorrelation function shows two major peaks around 2700 cm-1 and 7000 cm-1. The former appeared in the calculated IR spectra of non-rigid zeolite-A framework only system and the latter remains unexplained except, perhaps, indicating a new formation of a vibrational mode of the framework due to the adsorption of Na+ ions. The peaks above 6200-6800 cm-1 in non-rigid dehydrated Nal2-A zeolite are much larger than those in non-rigid dehydrated H12-A zeolite.

• 한국정밀공학회지
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• 제12권4호
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• pp.135-142
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• 1995

Recently, the analysis of microcutting with submicrometer depth of cut is tried to get a more high quality surface product, but to get a valuable result another method instead of conventional finite element method must be considered because finite element method is impossible for a very small focused region and mesh size. As the alternative method, Molecular Dynamics or Statics is suggested and accepted in the field of microcutting, indentation and crack propagation. In this paper using Molecular Dynamics simulation, the phenomena of microcutting with subnanometer chip thickness is studied and the cutting mechanism for tool edge configuration is evaluated. As the result of simulation the atomistic chip formation is achieved.

• Journal of Mechanical Science and Technology
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• 제16권3호
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• pp.376-385
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• 2002

Spray impingement and fuel film formation models with cavitation have been developed and incorporated into the computational fluid dynamics code, STAR-CD. The spray/wall interaction process was modeled by considering the effects of surface temperature conditions and fuel film formation. The behavior of fuel droplets after impingement was divided into rebound, spread and splash using the Weber number and parameter K(equation omitted). The spray impingement model accounts for mass conservation, energy conservation, and heat transfer to the impinging droplets. The fuel film formation model was developed by integrating the continuity, momentum, and energy equations along the direction of fuel film thickness. Zero dimensional cavitation model was adopted in order to consider the cavitation phenomena and to give reasonable initial conditions for spray injection. Numerical simulations of spray tip penetration, spray impingement patterns, and the mass of film-state fuel matched well with the experimental data. The spray impingement and fuel film formation models have been applied to study spray/wall impingement in high-speed direct injection diesel engines.