• Proceedings of the Computational Structural Engineering Institute Conference
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• 2009.04a
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• pp.38-41
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• 2009

Debonding behavior of symmetric tilt bicrystal interfaces with <100> misorientation axis is investigated through molecular dynamics simulations. FCC single crystal copper is considered in each grain and the model is idealized as a grain boundary under mechanical loading. Embedded-Atom Method potential is chosen to calculate the interatomic forces between atoms. Constrained tensile deformations are applied to a variety of misorientation angles in order to estimate the effect of grain boundary angle on local peak stress. A new parameter of symmetric grain-boundary structure is introduced and refines the correlation between grain boundary angle and local peak stress.

• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.771-776
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• 2003

The structural and dynamic properties of small n-alkane clusters embedded in a mesoscopic solvent are investigated. The solvent interactions are taken into account through a multi-particle collision operator that conserves mass, momentum and energy and the solvent dynamics is updated at discrete time intervals. The cluster molecules interact among themselves and with the solvent molecules through intermolecular forces. The properties of n-heptane and n-decane clusters interacting with the mesoscopic solvent molecules through repulsive Lennard-Jones interactions are studied as a function of the number of the mesoscopic solvent molecules. Modifications of both the cluster and solvent structure as a result of cluster-solvent interactions are considered. The cluster-solvent interactions also affect the dynamics of the small n-alkane clusters.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.26 no.10
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• pp.1394-1405
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• 2002

The performance of micro-actuators utilizing radiometric forces are studied numerically. The Knudsen number based on gas density and characteristic dimension is varied from near-continuum to highly rarefied conditions. Direct simulation Monte Carlo(DSMC) calculations have been performed to estimate the performance of the micro-actuators. In the present DSMC method, the variable hard sphere molecular model and no time counter technique are used to simulate the molecular collision kinetics. For simulation of diatomic gas flows, the Borgnakke-Larsen phenomenological model is adopted to redistribute the translational and internal energies.

• Proceedings of the Polymer Society of Korea Conference
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• 2006.10a
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• pp.112-112
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• 2006

Detailed surface characteristics of polymer films have been investigated by atomistic molecular dynamics simulations and NEXAFS spectroscopy experiments. The geometric confinement of the surfaces and the necessity to minimize the surface energy lead to the significant molecular organization and orientation in polymer surfaces, with their properties strongly depending upon the atomistic monomer structures. As compared with polymers, oligomeric electronic materials are much more readily aligned by employing various surface anchoring forces, rendering them highly attractive as polarized-light emitting materials and active semiconducting materials in thin film transistors.

• 한국전산유체공학회:학술대회논문집
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• 2010.05a
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• pp.575-580
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• 2010

In this work, the electrophoretic motion of dsDNA molecule represented by a polymer through an artificial nano-pore in a membrane is simulated using the numerical method combining the lattice Boltzmann and Langevin molecular dynamic method. The polymer motion is represented by Langevin molecular dynamics technique while the fluid flow is taken into account by fluctuating lattice-Boltzmann method. The hydrodynamic interactions between the polymer and solvent in a confined space with a membrane having a hole are considered explicitly through the frictional and the random forces. The electric field intensity over the space is obtained from a finite difference method. Initially, the polymer is placed at one side of the space, and an electric field is applied to drive the polymer to the other side of the space through the nano-pore. In future, we plan to study the effect of the polymer size and the electric field on the electrophoretic velocity.

• Proceedings of the Korean Institute of Building Construction Conference
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• 2018.05a
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• pp.257-258
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• 2018

PTFE(polytetrafluoroetylene) is widely used as representative sliding friction materials, but there could be difficulties in applying it to various industry fields by the shortage of carrying capacity under high facial pressure and by the change of friction coefficient according to the environmental conditions. Accordingly, this study was to do comparative analysis on the friction coefficient by environmental temperature at the same facial pressure of UHMWPE which was mainly used as sliding friction materials under high facial pressure. In addition, this study was to proceed with the double shear structure by using two test specimen in order to minimize the frictional forces.

• Macromolecular Research
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• v.15 no.7
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• pp.682-687
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• 2007

The equation of state developed herein is predicated on a hard-sphere reference with perturbations introduced via a potential function to account for electrostatic forces and for attraction between protein particles. During this process, the generalized Lennard-Jones (GLJ) pair potential function is employed. The GLJ pair potential function is employed to represent the protein-protein interaction in two-protein systems. Via the use of the relation between the equation of state and the chemical potential, the phase behavior in the aqueous two-protein system can be estimated. The partition coefficients can be obtained via these processes. The calculated values of the coefficients agree fairly well with the experimental data in the given pH and ionic strength range, with no additional adjustable model parameters.

• Proceedings of the Optical Society of Korea Conference
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• 2001.02a
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• pp.272-273
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• 2001

We demonstrate the first separation of neutral molecules using optical forces. Unlike laser atomic cooling or optical tweezers, optical separation technique requires the manipulation of only one component of the molecular motion. Thus the mixtures can be separated, in principle, with less complex schemes. When an Intense nonresonant laser beam is focused onto a beam of molecules, the interaction between the laser electric field and the induced dipole moment of a molecule invokes a mechanical force on the molecule proportional to the field gradient and the molecular polarizability ($\alpha$) to mass (m) ratio $\alpha$/m. (omitted)

• Interdisciplinary Bio Central
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• v.4 no.1
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• pp.1.1-1.7
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• 2012

Background: The F-box proteins represent one of the largest families of proteins in eukaryotes. Apart from being a component of the ubiquitin (Ub)/26 S proteasome pathways, their regulatory roles in other cellular and developmental pathways have also been reported. One interesting feature of the genes encoding the proteins of this particular family is their variable selection patterns across different lineages. This resulted in the presence of lineage specific F-box proteins across different species. Findings: In this study, 48 non-redundant F-box proteins in E. siliculosus have been identified by a homology based approach and classified into three classes based on their variable C-terminal domains. A greater number of the F-box proteins have domains similar to the ones identified in other species. On the other hand, when the proteins having unknown or no C-terminal domain (as predicted by InterProScan) were analyzed, it was found that some of them have the polyglutamine repeats. To gain evolutionary insights on the genes encoding the F-box proteins, their selection patterns were analyzed and a strong positive selection was observed which indicated the adaptation potential of the members of this family. Moreover, four lineage specific F-box genes were found in E. siliculosus with no identified homolog in any other species. Conclusions: This study describes a genome wide in silico analysis of the F-box proteins in E. siliculosus which sheds light on their evolutionary patterns. The results presented in this study provide a strong foundation to select candidate sequences for future functional analysis.

• Journal of the Korean Vacuum Society
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• v.16 no.1
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• pp.52-57
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• 2007

The interaction force between biomolecules(DNA-DNA, antigen-antibody, ligand-receptor, protein-protein) defines not only biomolecular function, but also their mechanical properties and hence bio-sensor. Atomic force microscopy(AFM) is nowadays frequently applied to determine interaction forces between biological molecules and biomolecular force measurements, obtained for example using AFM can provide valuable molecular-level information on the interactions between biomolecules. A proper modification of an AFM tip and/or a substrate with biomolecules permits the direct measurement of intermolecular interactions, such as DNA-DNA, protein-protein, and ligand-receptor, etc. and a microcantilever-based sensor appeared as a promising approach for ultra sensitive detection of biomolecular interactions.