• The Journal of the Korea Contents Association
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• v.6 no.11
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• pp.225-234
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• 2006

In this paper, we design a combined security processor, ECC, MD-5, and AES, as a SIP for cryptography of securing contents. Each SIP is modeled and designed in VHDL and implemented as a reusable macro through logic synthesis, simulation and FPGA verification. To communicate with an ARM9 core, we design a BFM(Bus Functional Model) according to AMBA AHB specification. The combined security SIP for a platform-based SoC is implemented by integrating ECC, AES and MD-5 using the design kit including the ARM9 RISC core, one million-gate FPGA. Finally, it is fabricated into a MPW chip using Magna chip $0.25{\mu}m(4.7mm{\times}4.7mm$) CMOS technology.

• Journal of the Korean Chemical Society
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• v.64 no.6
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• pp.345-349
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• 2020

In the self-assembled monolayer (SAM) of alkanethiol formed on a gold surface, some molecules fail to chemisorb with their terminal alkyl groups physisorbed. The previous molecular dynamics (MD) simulation showed that these defects can be cured by thermal annealing. Herein, we present a simple Ising model of alkanethiol. The Monte Carlo simulation based on the present model reproduced the essential features of the annealing of SAM observed in the MD simulation.

• Journal of the Semiconductor & Display Technology
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• v.13 no.2
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• pp.53-56
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• 2014

In this work, we investigate the operational properties of this proposed device in detail via classical MD simulations. The bi-stability of the GNF(Graphene Nano-flake) shuttle encapsulated in bi-layer GNR could be achieved from the increase of the attractive energy between the GNRs when the GNF approached the edges of the GNRs. This result showed the potential application of the nano-electromechanical GNR memory as a NVRAM.

• Proceedings of the KIEE Conference
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• 2007.07a
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• pp.1542-1543
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• 2007

This paper presents the effect of driving waveform for piezoelectric bend mode inkjet printhead with optimized mechanical design. Experimental and theoretical studies on the applied driving waveform versus jetting characteristics were performed. The inkjet head has been designed to maximize the droplet velocity, minimize voltage response of the actuator and optimize the firing frequency to eject ink droplet. The head design was carried out by using mechanical simulation. The printhead has been fabricated with Si(100) and SOI wafers by MEMS process and silicon direct bonding method. To investigate how performance of the piezoelectric ceramic actuator influences on droplet diameter and droplet velocity, the method of stroboscopy was used. Using the water based ink of viscosity of 11.8 cps and surface tension of 0.025N/m, it is possible to eject stable droplets through 64 nozzles average velocity of 4.05 m/s with standard deviation of 0.06 m/s and average diameter of $29.2\;{\mu}m$ with standard variation of $0.5\;{\mu}m$.

• Bulletin of the Korean Chemical Society
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• v.35 no.7
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• pp.2097-2108
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• 2014

Chemical feature based quantitative pharmacophore models were generated using the HypoGen module implemented in DS2.5. The best hypothesis, Hypo1, which was characterized by the highest correlation coefficient (0.96), the highest cost difference (61.60) and the lowest RMSD (0.74), consisted of one hydrogen bond acceptor, one hydrogen bond donor, one hydrophobic and one ring aromatic. The reliability of Hypo1 was validated on the basis of cost analysis, test set, Fischer's randomization method and GH test method. The validated Hypo1 was used as a 3D search query to identify novel inhibitors. The screened molecules were further refined by employing ADMET, docking studies and visual inspection. Three compounds with novel scaffolds were selected as the most promising candidates for the designing of Mcl-1 antagonists. Finally, a 10 ns molecular dynamics simulation was carried out on the complex of receptor and the retrieved ligand to demonstrate that the binding mode was stable during the MD simulation.

• Current Applied Physics
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• v.18 no.11
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• pp.1313-1319
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• 2018

The coil-to-globule behavior of poly{${\gamma}$-2-[2-(2methoxyethoxy)ethoxy]ethoxy-3-caprolactone} (PMEEECL) as a ${\gamma}$-substituted poly (${\varepsilon}$-caprolactone) was investigated via atomistic molecular dynamics (MD) simulation. For this purpose, radius of gyration, end-to-end distance and radial distribution function of the chain in the presence of water were calculated. Consequently, the lower critical solution temperature (LCST) of PMEEECL chain at which the coil-to-globule transition takes place, was determined in each calculated parameter curve. The simulation results indicated that the LCST of PMEEECL was occurred at close to 320 K, which is in a good agreement with previous experimental results. Additionally, the appearance of sudden change in both Flory-Huggins interaction parameter (${\chi}$) and interaction energy between the PMEEECL chain and water molecules at about 320 K confirmed the calculated LCST result. The radial distribution function (RDF) results showed that the affinity of the PMEEECL side chain to water molecules is lower than its backbone.

• Proceedings of the Korean Society for Technology of Plasticity Conference
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• 2004.05a
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• pp.62-65
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• 2004

Recently, an approach for nanoscale deformation has been developed that couples the atomistic and continuum approaches using Finite Element Method (FEM) and Molecular Dynamics (MD). However, this approach still has problems to connect two approaches because of the difference of basic assumptions, continuum and atomistic. To solve this problem, an alternative way is developed that connects the quasimolecular dynamics (QMD) and molecular dynamics (MD). In this paper, we suggest the way to make and validate the MD-QMD coupled model.

• Bulletin of the Korean Chemical Society
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• v.24 no.1
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• pp.95-98
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• 2003

Enantioselectivity of the propranolol on β-cyclodextrin was simulated by molecular modeling. Monte Carlo (MC) docking and molecular dynamics (MD) simulations were applied to investigate the molecular mechanism of enantioselective difference of both enantiomeric complexes. An energetic analysis of MC docking simulations coupled to the MD simulations successfully explains the experimental elution order of propranolol enantiomers. Molecular dynamics simulations indicate that average energy difference between the enantiomeric complexes, frequently used as a measure of chiral recognition, depends on the length of the simulation time. We found that, only in case of much longer MD simulations, noticeable chiral separation was observed.

• Proceeding of EDISON Challenge
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• 2013.04a
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• pp.53-65
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• 2013

두 물질의 단순 혼합물에서 각 물질이 어떤 상을 가지고 행동하는지는 순수 과학은 물론이고 그것을 적용하는 공학에서도 역시 중요하다. 계를 표현하는 여러 가지 방법이 있지만, Lennard-Jones potential이 그 중 가장 단순하면서도 효과적이기 때문에 널리 쓰인다. 이 연구는 입자간의 에너지가 Lennard-Jones potential로 표현된 혼합물의 상변화를 Chemworks2의 "Mixed LJ particles MD" 프로그램으로 모사 실험 하고, 그 결과를 방사 분포 함수를 통해 분석했다. 분석을 통해서 Lennard-Jones 상수가 다른 두 가지의 경우에 대하여 각각 혼합물의 온도와 밀도 변화에 따른 상변화가 다르게 나타나는 것을 보였다.

• Bulletin of the Korean Chemical Society
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• v.19 no.10
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• pp.1068-1072
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• 1998

We present results of molecular dynamic (MD) simulations for the segmental motion of liquid n-butane as the base case for a consistent study for conformational transition from one rotational isomeric state to another in long chains of liquid n-alkanes. The behavior of the hazard plots for n-butane obtained from our MD simulations are compared with that for n-butane of Brownian dynamics study. The MD results for the conformational transition of n-butane by a Poisson process form the total first passage times are different from those from the separate t-g and g-t first passage times. This poor agreement is probably due to the failure of the detailed balance between the fractions of trans and gauche. The enhancement of the transitions t-g and g-t at short time regions are also discussed.