• 한국수소및신에너지학회논문집
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• 제7권1호
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• pp.111-115
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• 1996

Metal atom rearrangement has been shown to take place under the influence of hydrogen-induced atomic diffusion (HIAD) in initially homogeneous fee palladiumalloys by electron microprobe analysis, optical microscopy, mechanical property tests and hydrogen isotherms. HIAD takes place in palladium alloys at moderate to elevated temperatures leading to phase segregation under conditions where segregation does not normally occur, i.e., in the absence of H over the time scale of the experiments. From these results, it is confirmed that dissolved hydrogen plays a dual role in some of these alloys, i.e. it catalyzes metal atom diffusion. This research demonstrates the potential utility of employing H-induced changes for phase diagram determination of Pd alloys and possibly for other alloy system.

• 한국정밀공학회:학술대회논문집
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• 한국정밀공학회 2003년도 춘계학술대회 논문집
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• pp.1182-1185
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• 2003

Recently, the research of the nano technology has been done on a lot of area over the world. Especially, the interest of them is much higher for semiconductor companies and other super accuracy processing area. In this thesis, we have approached the characteristic of the tensile and bonding of copper, frequently used to nano wires, by molecular dynamics simulation. And the simulation was done by EAM, Embedded Atom Method which has the most highest accuracy for metal. Then the feature of copper at atom space is understood through the simulation of nano wire.

• 한국CDE학회논문집
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• 제20권4호
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• pp.321-327
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• 2015

In the protein database search, 3D structural shape comparison for protein screening plays a important role. Protein databases have big size and have been grown rapidly. Exhaustive search methods cannot provide a satisfactory performance. As protein is composed of a set of spheres, the similarity calculation of two set of spheres is very expensive. Thus, a reasonable filtering method could be an answer for the speedup of protein screening. In this paper, we suggest a speedup method for protein screening with atom number and bounding sphere. We also show some experimental results for the validity of our method.

• Applied Microscopy
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• 제46권1호
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• pp.14-19
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• 2016

Currently, focused ion beams (FIB) are widely used for specimen preparation in atom probe tomography (APT), which is a three-dimensional and atomic-scale compositional analysis tool. Specimen preparation, in which a specific region of interest is identified and a sharp needle shape created, is the first step towards successful APT analysis. The FIB technique is a powerful tool for site-specific specimen preparation because it provides a lift-out technique and a controllable manipulation function. In this paper, we demonstrate a general procedure containing the crucial points of FIB-based specimen preparation. We introduce aluminum holders with moveable pin and an axial rotation manipulator for specimen handling, which are useful for flipping and rotating the specimen to present the backside and the perpendicular direction. We also describe specimen preparation methods for nanowires and nanopowders, using a pick-up method and an embedding method by epoxy resin, respectively.

• Macromolecular Research
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• 제14권5호
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• pp.539-544
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• 2006

2-Furancarboxaldehyde-2-pyridinylhydrazone (FPH) and 5-methyl-2-furancarboxaldehyde-2-pyridinylhydrazone (MFPH) were synthesized and used as tridentate ligands of copper (I) bromide for the atom transfer radical polymerization of methyl methacrylate (MMA) and styrene. The polymerization of methyl methacrylate achieved high conversion and yielded polymers with a good control of molecular weight and low polydispersity (PDI=1.33). Higher PDI were observed in the polymerization of styrene. Using 1-phenyl ethylbromide (PEBr) and ethyl 2-bromoisobutyrate (EBiB) as model compounds for the polymeric chain ends, the activation rate constants of the new catalytic systems were measured. These results were correlated with the polymerization results and compared with another catalytic system previously reported.

• Bulletin of the Korean Chemical Society
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• 제34권11호
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• pp.3410-3414
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• 2013

Atom-economical esterification is of great importance in green chemistry. In this work, we demonstrated the catalyst and additive free esterification of alcohols by their reaction with 2-acyl-4,5-dichloropyridazin-3(2H)-ones without solvent at $100^{\circ}C$. Aliphatic and aromatic alcohols were converted into the corresponding esters in good to excellent yields. It is noteworthy that the reaction is solvent-free, atom-economic, easy-workup, and rapid and that the process is inexpensive.

• Nuclear Engineering and Technology
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• 제46권4호
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• pp.475-480
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• 2014

We developed a simple method to prepare the displacement damage cross section of SiC using NJOY and SRIM/TRIM. The number of displacements per atom (DPA) dependent on primary knock-on atom (PKA) energy was computed using SRIM/TRIM and it is directly used by NJOY/HEATR to compute the neutron energy dependent DPA cross sections which are required to estimate the accumulated DPA of nuclear material. SiC DPA cross section is published as a table in DeCART 47 energy group structure. Proposed methodology can be easily extended to other materials.

• 약학회지
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• 제41권6호
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• pp.765-772
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• 1997

Conformational analyses on thromboxane $A_2$ (Tx$A_2$) and thromboxane $A_2$ receptor antagonists (TxRA) were carried out by molecular mechanics method. Based on the assumption that active conformer is the nonintrahydrogen bonding and more stable former of Tx$A_2$ and TxRA, the molecular structural requirements for potent TxA2 receptor antagonists are like below: 1) The distance is 5.0-5.6${\AA}$ between C atom of carboxyl group and S atom of sulfonyl group or C atom which is bonded to hydroxyl group in the active conformers. 2) The putative active conformers of Tx$A_2$and TxRAs are hairpin-like forms.

• Macromolecular Research
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• 제12권1호
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• pp.32-37
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• 2004

The atom transfer radical polymerization (ATRP) of hexadecyl acrylate (HDA) was carried out in Ν,Ν-dimethylformamide (DMF) in the presence of CuSCN/Ν,Ν,Ν′,Ν"Ν"-pentamethyldiethylenetriamine (PMDETA). The results indicate that the polymerization is well-controlled: a linear increase of molecular weights occurs with respect to conversion and the polydispersities are relatively low. In particular, the use of CuSCN as the catalyst resulted in faster polymerization rates for hexadecyl acrylate than did those using either CuBr or CuCl; the polydis-persity, however, was larger than those obtained in the cases when CuBr and CuCl were used. In addition, we report the thermodynamic data and activation parameters for the solution ATRP of hexadecyl acrylate.

• 한국분말재료학회지
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• 제10권4호
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• pp.288-293
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• 2003

Mechanical alloying (MA) by high energy ball mill of Pure chromium Powders was carried out under the nitrogen gas atmosphere. Cr-N amorphous alloy powders have been produced through the solid-gas reaction subjected to MA. The atomic structure during amorphization process was observed by X-ray and neutron diffractions. An advantage of the neutron diffraction technique allows us to observe the local atomic structure surrounding a nitrogen atom. The coordination number of metal atoms around a N atom turns out to be 5.5 atoms. This implies that a nitrogen atom is located at both of centers of the tetrahedron and octahedron formed by metal atoms to stabilize an amorphous Cr-N structure. Also, we have revealed that a Cr-N amorphous alloy may produced from a mixture of pure Cr and Cr nitrides powders by solid-solid reaction during mechanical alloying.