• Journal of Advanced Marine Engineering and Technology
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• 제20권3호
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• pp.11-18
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• 1996

Liquid droplets of water and argon surrounded by their vapor have been simulated by the milecular dynamics method. To explore the surface phenomena of clusters, each molecule is classified into 'liquid', 'surface', or 'vapor' with respect to the number of neighbor molecules. The contribution of a 'surface' molecule of the water cluster to the far infrared spectrum is almist the same as that of the 'liquid' molecule. Hence, the liquid-vapor interface is viewed as geometrically and temporally varying boundary of 'liquid' molecules with only a single layer of 'surface' molecules that might have different characteristics from the 'liquid' molecules. The time scale of the 'phase change' of each molecule is estimated for the argon cluster by observing the instantancous kinetic and potential energies of each molecule. To compare the feature of clusters with macroscopic droplets, the temperature dependence of the surface tension of the argon cluster is estimated.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2016년도 제50회 동계 정기학술대회 초록집
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• pp.378.1-378.1
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• 2016

나노바이오연구분야에서 ToF-SIMS를 이용하여 lipid와 metabolite같은 저 분자의 생체물질을 측정하는데 널리 이용되어 왔다. 최근에는 고 분자량의 생체물질을 측정하기 위해서 C60, water cluster, argon cluster등의 다양한 종류의 클러스터 이온빔들이 개발되어 왔다. [1,2] 하지만 tissue샘플을 클러스터 이온빔을 이용하여 분석한 결과에서도 m/z 1500이상의 고분자를 측정한 결과는 거의 없다. 바이오샘플의 charging을 상쇄하기위해 low energy electron beam (~20 eV)을 사용하는데, low energy electron beam이 샘플에 damage를 주기 때문이다. [3] 본 연구에서는 electron fluence (electrons/cm2)가 증가함에 따라 PC(16:0/18:1(9Z)와 Ganglioside GM1의 intensity가 감소함을 알았고, low energy electron beam에 의해 생체 물질이 damage를 받을 수 있음을 확인하였다. 따라서 tissue 샘플을 SUS기판에 샘플링하고 Ar-GCIB를 이용하면 charging없이 tissue imaging을 성공적으로 수행할 수 있고, m/z 2000이상의 고 분자량의 생체물질을 측정할 수 있음을 확인하였다.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2008년도 추계학술대회A
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• pp.1885-1890
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• 2008

3-D heterogeneous nucleation was simulated by classical molecular dynamics (MD), where the Lennard-Jones (LJ) gas and solid cluster-seed molecules have argon and aluminum properties, respectively. There are three shapes of cluster-seeds, cube, rod, and sphere, and three classes of masses and the simulation took place under nine supersaturation ratios, making a total of 81 calculations. Results show that the dimension of the cluster-seed highly affects the rates of cluster development. In order to analyze heterogeneous nucleation above and below the critical supersaturation ratio, growth rate and liquefaction rate were separately defined to supplement the investigation. Design of experiments (DOE) was used for analysis which displayed that the shape and mass of the cluster-seed are prominent for the growth rate, while the supersaturation ratio is most significant followed by the mass for liquefaction rate. The significance of the supersaturation ratio for overall liquefaction suggests that thermal diffusion is more dominant than mass interactions for this system.

• Bulletin of the Korean Chemical Society
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• 제35권9호
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• pp.2774-2780
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• 2014

A dynamics study of relaxation and fragmentation of icosahedral argon cluster with a vibrationally excited $Ar_2^+$ (${\nu}$) is presented. Local translation is shown to be responsible for inducing energy flow from the embedded ion to host atoms and fragmentation of the cluster consisting of various low frequency modes. The total potential energy of $(Ar_2^+)Ar_{12}$ is formulated using a building-up procedure of host-guest and host-host interactions. The time dependence of ion-to-host energy transfer is found to be tri-exponential, with the short-time process of ~100 ps contributing most to the overall relaxation process. Relaxation timescales are weakly dependent on both temperature (50-300 K) and initial vibrational excitation (${\nu}$ = 1-4). Nearly 27% of host atoms in the cluster with $Ar_2^+$ (${\nu}$ = 1) fragment immediately after energy flow, the extent increasing to ~43% for ${\nu}$ = 4. The distribution of fragmentation products of $(Ar_2^+)Ar_{12}{\rightarrow}(Ar_2^+)Ar_n+(12-n)Ar$ are peaked around $(Ar_2^+)Ar_8$. The distribution of dissociation times reveals fragmentation from one hemisphere dominates that from the other. This effect is attributed to the initial fragmentation causing a sequential perturbation of adjacent atoms on the same icosahedral five-atom layer.

• 한국분무공학회지
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• 제13권1호
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• pp.34-41
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• 2008

Molecular dynamic simulations have been carried out to study the effect of the nano-structure substrate and its temperature on cluster laminating. The interaction between substrate molecules and liquid molecules was modeled in the molecular scale and simulated by the molecular dynamics method in order to understand behaviors of the liquid cluster on nano-structure substrate. In the present model, the Lennard-Jones potential is applied to mono-atomic molecules of argon as liquid and platinum as nano-structure substrate to perform simulations of molecular dynamics. The effect of wettability on a substrate was investigated for the various beta of Lennard-Jones potential. The behavior of the liquid cluster and nano-structure substrate depends on interface wettability and function of molecules force, such as attraction and repulsion, in the collision progress. Furthermore, nano-structure substrate temperature and beta of Lennard-Jones potential have effect on the accumulation ratio. These results of simulation will be the foundation of coating application technology for micro fabrication manufacturing.

• 한국식품영양학회지
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• 제31권2호
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• pp.301-307
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• 2018

In this study, a relatively effective process is used to sterilize Escherichia coli on the surface of micro-sized calcium citrate powder using nitrogen and argon as process gases in a low-temperature vacuum plasma treatment. The purpose of this study is to confirm and to introduce the effectiveness of homogeneous surface treatment for the sterilization of fine inorganic powder by the rotatable low-temperature RF plasma system designed by ourselves. The results of the test using 3M petrifilm showed that there were no remarkable spots in the case of the surface of plasma treated powder, whereas the untreated powder showed many blue spots, which indicating that the E. coli was alive. After 5 days, in the same samples, the blue spots were seen to be larger and darker than before, while the plasma-treated powder showed no changes. The results from FE-SEM analysis showed that the E. coli was damaged and/or destroyed by reactive species generated in the plasma space, resulting in the E. coli being sterilized. Furthermore, the sterilization effects according to the selected parameters ($N_2$ and Ar; flow rate 30 and 50 sccm) adapted in this study were mutually similar, regardless of such different process parameters, and this indicates that homogeneous treatment of powder surfaces could be more effective than conventional methods. Therefore, the plasma apparatus used in this study may be a practical method to use in a powerful sterilization process in powder-type food.

• 한국분말재료학회지
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• 제15권5호
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• pp.371-377
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• 2008

This paper deals with the phase analysis of $MgB_2$ bulk using spark plasma sintering process after ball milling. Mg and amorphous B powders were used as raw materials, and milled by planetary-mill for 9 hours at argon atmosphere. In order to confirm formation of $MgB_2$ phase, DTA and XRD were used. The milled powders were fabricated to $MgB_2$ bulk at the various temperatures by Spark Plasma Sintering. The fabricated $MgB_2$ bulk was evaluated with XRD, EDS, FE-SEM and PPMS. In the DTA result, reaction on formation of $MgB_2$ phase started at $340^{\circ}C$. This means that ball milling process improves reactivity on formation of $MgB_2$ phase. The $MgB_2$ MgO and FeB phases were characterized from XRD result. MgO and FeB were undesirable phases which affect formation of $MgB_2$ phase, and it's distribution could be confirmed from EDS mapping result. Spark Plasma Sintered sample for 5 min at $700^{\circ}C$ was relatively densified and it's density and transition temperature showing super conducting property were $1.87\;g/cm^3$ and 21K.

• Bulletin of the Korean Chemical Society
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• 제24권2호
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• pp.197-204
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• 2003

The intracluster ion-molecule reactions of $Ti^+(H_2O)_n,\;Ti^+(CH_3OCH_3)_n,\;and\;Ti^+(CH_3OD)_n$ complexes produced by the mixing of the laser-vaporized plasma and the pulsed supersonic beam were studied using a reflectron time-of-flight mass spectrometer. The reactions of $Ti^+$ with water clusters were dominated by the dehydrogenation reaction, which produces $TiO^+(H_2O)_n$ clusters. The mass spectra resulting from the reactions of $Ti^+\;with\;CH_3OCH_3$ clusters exhibit a major sequence of $Ti^+(OCH_3)_m(CH_3OCH_3)_n$ cluster ions, which is attributed to the insertion of $Ti^+$ ion into C-O bond of $CH_3OCH_3$ followed by $CH_3$ elimination. The prevalence of $Ti^+(OCH_3)_m(CH_3OD)_n$ ions in the reaction of $Ti^+\;with\;CH_3OD$ clusters suggests that D elimination via O-D bond insertion is the preferred decomposition pathway. In addition, the results indicate that consecutive insertion reactions by the $Ti^+$ ion occur for up to three precursor molecules. Thus, examination of $Ti^+$ insertion into three different molecules establishes the reactivity order: O-H > C-O > C-H. The experiments additionally show that the chemical reactivity of heterocluster ions is greatly influenced by cluster size and argon stagnation pressure. The reaction energetics and formation mechanisms of the observed heterocluster ions are also discussed.

• 분석과학
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• 제15권6호
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• pp.540-549
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• 2002

The arrangement of encapsulated Ar atoms in the molecular-dimensioned cavities of fully dehydrated zeolite A of unit-cell composition $Cs_3Na_8HSi_{12}Al_{12}O_{48}$ ($Cs_3$-A) has been studied crystallographically to probe the confinement effect of guest species in microporous environment. Atoms of Ar were encapsulated in the cavities of $Cs_3$-A by treatment with 410 atm of Ar at $400^{\circ}C$ for two days, followed by cooling at room temperature. The crystal structure of $Cs_3Na_8H$-A(4Ar) ($P_e$ = 410 atm, $a=12.245(2){\AA}$, $R_1=0.0543$, and $R_2=0.0552$) has been determined by single crystal X-ray diffraction technique in the cubic space group $Pm\bar{3}m$ at 21 (1) $^{\circ}C$ and 1 atm. Encapsulated Ar atoms are distributed in three crystallographic distinct positions: 1.5 Ar atoms per unit cell opposite 6-rings, 1.5 opposite four-rings in the large cavity, and finally 1.0 in the sodalite-unit. The possible structures of argon clusters, such as $Ar_2$, $Ar_3$, and $Ar_4$, are proposed.

• 한국재료학회지
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• 제13권8호
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• pp.550-554
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• 2003

Current nanogold cluster synthesized by chemical routine with 11 or 55 atoms of gold has been widely used for immuno chemistry probe as a form of nanocluster conjugated with biomolecules. It would be an undeveloped region that the 1 nm size of nanogold could be made by materials engineering processing. Therefore, objective of this study is to minimize the size of gold nanocluster as a function of operating temperature and chamber pressure in inert gas condensation (IGC) processing. Evaporation temperature was controlled by input current from 50 A to 65 A. Chamber pressure was controlled by argon gas with a range of 0.05 to 2 torr. The gold nanocluster by IGC was evaluated by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The gold nanocluster for TEM analysis was directly sampled with special in-situ method during the processing. Atomic force microscopy (AFM) was used to observe 3-D nanogold layer surfaces on a slide glass for the following biomolecule conjugation step. The size of gold nanoclusters had a close relationship with the processing condition such as evaporation temperature and chamber pressure. The approximately 1 nm size of nanogold was obtained at the processing condition for 1 torr at $1124 ^{\circ}C$.