• JSTS:Journal of Semiconductor Technology and Science
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• v.6 no.3
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• pp.131-135
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• 2006

High electron mobility transistors with InAs channels and antimonide barriers were grown on Si and GaAs substrates by means of molecular beam epitaxy. While direct growth of Sb materials on Si substrate generates disordered and coalescences 3-D growth, smooth and mirror-like 2D growth can be repeatedly obtained by inserting AlSb QD layers between them. Room-temperature electron mobilities of over 10,000 $cm^2/V-s$ and 20,000 $cm^2/v-s$ can be routinely obtained on Si and GaAs substrates, respectively, after optimizing the buffer structure as well as maintaining InSb-like interface.

• Proceedings of the KSME Conference
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• 2001.11a
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• pp.252-257
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• 2001

With the help of newly arrived technology such as PC clustering, molecular dynamics (MD) seems to be promising for large-scale materials simulations. A cost-effective cluster is set up using commodity PCs connected over Ethernet with fast switching devices and free software Linux. Executing MD simulations in the parallel sessions makes it possible to carry out large-scale materials simulations at acceptable computation time and costs. In this study, the MD computer code for fracture simulation is modified to comply with MPI (Message Passing Interface) specification, and runs on the PC cluster in parallel mode flawlessly. It is noted that PC clusters can provide a rather inexpensive high-performance computing environment comparing to supercomputers, if properly arranged.

• Journal of Advanced Marine Engineering and Technology
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• v.28 no.3
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• pp.441-450
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• 2004

The velocity distribution of gas molecules from the experimental results was confirmed as the same with the Maxwell-Boltzmann's theoretical results within the experimental error. This study is on the realization of the Maxwell-Boltzmann's velocity distribution of gas molecules by the molecular dynamics(MD) method. The Maxwell-Boltzmann's velocity distribution of gas molecules is extremely important to confirm the equilibrium state because the properties of a thermodynamic system shall be obtained from the system's equilibrium configuration in the MD method. This study is the first trial in the successive researches to calculate the properties of a thermodynamic system by the computer simulations. We confirmed that the maxwell-boltzmann's velocity distribution is developed in some transient time after starting a simulation and dependent on the size of a system. Also it is found that the velocity distribution has no relation with an initial configuration of gas molecules.

• Proceedings of the KSMRM Conference
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• 2004.09a
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• pp.23-32
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• 2004

The chemotherapy sensitive Lewis lung carcinoma (LLC) and chemotherapy resistant Lewis lung carcinoma (CR-LLC) tumors concurrently implanted in mice, and compare these findings with histological macroscopic observations against 3D reconstruction of Fluorescence Molecular Tomography (FMT) preformed in vivo on the same animals. For the 3D image reconstruction we used 32 laser source images, a flat image and 3D surface rendering that confused for 3D Fluorescence Molecular Imaging (FMI). A minimum of ten tissue sections were analyzed per tumor for quantification of the TUNEL-positive cells, cell-associated Cy5.5-Annexin and vessel-associated Alexa Fluor-Lectin. These are useful apoptosis and angiogenesis markers, and they serve as validation experiments to data obtained in vivousing a Cy5.5-Annexin V conjugate injected intravenously in chemotherapy-treated animals carrying the tumors studied histologically. We detected higher levels of apoptosis and corresponding higher levels of Cy5.5 fluorescence in the LLC vs. the CR-LLC tumors according to tissue depth and these findings confirm that in vivo staining with the Cy5.5-Annexing conjugate correlates well with in vitro TUNEL staining and is consistent with the higher apoptotic index expected from the LLC line. There appeared to be 1.38% more apoptosis for LLC than CR-LLC. Consequently there is good correlation between the histology results and in vivo fluorescence-mediated optical imaging. In conclusion the apoptotic images of 3D FMI were validated by microscopic histological image analysis. This is a significant result for the continuous progress of fluorescence 3D imaging research.

• Proceedings of the Korean Information Science Society Conference
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• 2010.11a
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• pp.25-26
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• 2010

• Journal of Powder Materials
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• v.5 no.4
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• pp.324-328
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• 1998

This paper is aimed to study the computer simulation of sintering process for ceramics by Monte Carlo and molecular dynamics methods. Plural mechanisms of mass transfer were designed in the MC simulation of sintering process for micron size particles; the transfer of pore lattices for shrinkage and the transfer of solid lattices for grain growth ran in the calculation arrays. The MD simulation was performed in the case of nano size particles of ionic ceramics and showed the characteristic features in sintering process at atomic levels. The MC and MD simulations for sintering process are useful for microstructural design for ceramics.

• Proceedings of the Materials Research Society of Korea Conference
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• 2005.05a
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• pp.50-50
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• 2005

• 한국전자현미경학회:학술대회논문집
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• 2005.05a
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• pp.95-97
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• 2005

• Proceedings of the KAIS Fall Conference
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• 2006.05a
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• pp.232-235
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• 2006

본 논문은 금속 이온에 둘러싸인 다중벽 탄소 나노튜브를 이용한 기가급 진동자의 응용 가능성에 대한 해석을 수행하였다. 탄소 나노튜브 오실레이터 안쪽에 포함된 칼슘 이온들은 외부에서 공급된 전계에 의해 가속될 수 있고 $nK^+@CNT$ 오실레이터로 구성된 기가 헤르쯔 진동자는 본 연구의 분자동역학 시뮬레이션에서 공급된 전계에 의해 초기화될 수 있었다.

• Journal of Integrative Natural Science
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• v.8 no.3
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• pp.209-213
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• 2015

Influenza A virus (H1N1) causes and spreads infectious diseases and becomes a major health threat in humans. Among the subtypes of influenza virus, neuraminidase (NA) plays an important role in viral life cycle and becomes an attractive therapeutic target. Currently two NA inhibitors namely Zanamivir and Oseltamivir are available for treating infectious diseases. Recently five naturally derived polyphenols extracted from Phellinus baumii was reported as inhibitors against NA. Molecular docking is powerful tool in computer aided drug designing which aids in exploring and elucidating the properties of the molecules from their 3D structure. Hence, in the present study, molecular docking was carried out on reported polyphenols isolated from ethanolic extract of fruiting bodies of Phellinus baumii. The objective of this work was to study the interaction and to propose the binding mode of these compounds within the binding site of H1N1 neuraminidase. The results showed these compounds had better binding energy and H-bond interactions with the important active site residues of the receptor which authenticate these compounds contributes to inhibitory activity of neuraminidase to treat influenza infection.