발간논문

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A review of the development history of interatomic potential models for ionic materials was carried out paying attention to the way of future development of an interatomic potential model that can cover ionic, covalent and metallic bonding materials simultaneously. Earlier pair potential models based on fixed point charges with and without considering the electronic polarization effect were found to satisfactorily describe the fundamental physical properties of crystalline oxides (Ti oxides, SiO2, for example) and their polymorphs, However, pair potential models are limited in dealing with pure elements such as Ti or Si. Another limitation of the fixed point charge model is that it cannot describe the charge variation on individual atoms depending on the local atomic environment. Those limitations lead to the development of many-body potential models (EAM or Tersoff), a charge equilibration (Qeq) model, and a combination of a many-body potential model and the Qeq model. EAM+Qeq can be applied to metal oxides, while Tersoff+Qeq can be applied to Si oxides. As a means to describe reactions between Si oxides and metallic elements, the combination of 2NN MEAM that can describe both covalent and metallic elements and the Qeq model is proposed.

keyword : interatomic potential, ionic bond, covalent bond, metallic bond, atomistic simulation

To improving the mechanical properties of Mg alloys at high temperature, we investigated the mechanical properties at high temperature and the change of microstructure of Mg-6 wt%Zn-0.4 wt%Mn and Mg-6 wt%Zn-0.4 wt%Mn-1 wt%Ag alloys on age treatment that have a stable MgZn phase at high temperature and AgMg4 improving yield stress. In order to predict thermodynamic data of Mg alloys, a phase diagram and precipitation phase were calculated using a thermodynamic program, and it was confirmed that the MgZn and AgMg4 phase existed as main precipitation in this alloys. The experimental data examined using DSC and XRD were comparable with the calculated data for reliability. In order to analysis the microstructure and precipitate phase during aging treatment, it was measured by SEM/EDS and TEM. Lastly, mechanical properties of the MgZn and AgMg4 phase were measured by a tensile test at high temperature.

keyword : alloys, casting, mechanical properties, aging, precipitation, X-ray diffraction

Pre-aging heat treatment after solution heat treatment (SHT) of Al-0.4 wt%Mg-1.2 wt%Si- 0.1 wt%Mn alloy sheets for auto-bodies was carried out to investigate the effect of pre-aging and its conditions on the bake-hardening response. Mechanical properties were evaluated by a tensile and Vickers hardness test. Microstructural observation was also performed using a transmission electron microscope (TEM). It was revealed that pre-aging treatments play a great role in the bake-hardening response. In addition, it was found that the sphere-shaped nanosized clusters that can directly transit to the needle-shaped β` phase during the paint-bake process, not being dissolved into the matrix, are formed at 343 K. The result, reveals that the dominant factor of the bake-hardening response is the pre-aging temperature rather than the pre-aging time.

keyword : metals, aging, precipitation, TEM, bake-hardening

In this study, the relationship between corrosion resistance and microstructural characteristics such as grain size reduction, preferred orientation, and homogenous distribution of elements and impurity by mechanical milling of magnesium powder was investigated. Mechanical milling of pure magnesium powder exhibited a complex path to grain refinement and growth together with preferred orientation reversal with milling time. It was also found that anisotropic formation of dislocation on the basal plane of magnesium was initially the dominant mechanism for grain size reduction. After 60 hrs of milling, grain coarsening was observed and interpreted as a result of the strain relaxation process through recrystallization. In spite of the finer grain size and strong (002) texture developed in the sample prepared by spark plasma sintering at 500℃ for 5 min after mechanical milling for 2hrs, the sample showed a higher corrosion rate. The results from this study will be helpful for better understanding of the controlling factor for corrosion resistance and behaviors of mechanical milled magnesium powders.

keyword : metals, mechanical alloying/milling, corrosion, transmission electron microscopy, TEM

In order to understand why annealing at 480℃ for several hour prevents the initiation of PWSCC, the residual stress variation with isothermal annealing at 480℃ and isochronal annealing between 480 and 800℃ in cold rolled Alloy 600 was investigated by the XRD method. The isothermal annealing decreased residual stress slightly in the rolling direction but not in the transverse direction, whereas the isochronal annealing for two hours increased residual stress. It seemed that the decrease in residual stress by isothermal annealing was due to lattice contraction by an ordering reaction because the isothermal annealing increased hardness. The effects of the isochronal annealing could be interpreted as the influence of thermal expansion and a disordering reaction.

keyword : residual stress, X-ray diffraction, Alloy 600, annealing, ordering reaction, PWSCC

Determining the residual stress during casting processes is important for evaluating the mechanical properties and strength of materials and to optimize manufacturing conditions. In this study, we propose a field data interface procedure between FDM and FEM in a 3-dimensional space for analyzing the casting process and structural analysis. The casting process was analyzed using FDM and the data of the temperature distribution were converted into a format suitable for FEM analysis to calculate the thermal stress and safety factor by tightening force. The results of the coupled analysis between FDM and FEM showed that casting residual stress is an important factor in predicting life time and evaluating durability.

keyword : FDM, FEM, casting residual stress, numerical analysis

Bars of OFHC Cu with the diameter of 45 mm were processed by equal channel angular pressing up to 16 passes via route B(c), and homogeneity of their microstructures and mechanical properties was examined at every four passes which develop the equiaxed ultrafine grains. In general, overall hardness, yield strength and tensile strength increased by 3, 7, and 2 times respectively compared with those of unECAPed sample. Cross-sectional hardness exhibited a concentric distribution. Hardness was the highest at the center of bar and it decreased gradually from center to surface. After 16 passes, overall hardness decreased due to recovery and partial recrystallization. Regardless of the number of passage, yield strength and tensile strength were quite uniform at all positions, but elongation showed some degree of scattering. At 4 passes, coarse and ultrafine grains coexisted at all positions. After 4 passes, uniform equiaxed ultrafine grains were obtained at the center, while uniform elongated ultrafine grains were manifested at the upper half position. At the lower half position, grains were equiaxed but its size were inhomogeneous. It was found that inhomogeneity of grain morphology and grain size distribution at different positions are to be attributed to scattering in elongation but they did not affect strength. The present results reveal the high potential of practical application of equal channel angular pressing on fabrication of large-sized ultrafine grained bars with quite homogeneous mechanical properties.

keyword : OFHC Cu, ECAP, ultrafine grains, mechanical properties, microstructures

Heat-treatable Al-Mg-Si-Cu alloy sheets, which are expected to have a growing demand, were fabricated by Cross rolling to improve their formability. The mechanical properties and texture of the sheets after the final annealing process were investigated by a tensile test, EBSD and XRD analysis. The grain size of the cross-rolled sheets was remarkably decreased compared to conventional rolled sheets, and the R-value of the cross-rolled sheets was notably increased by about one and a half times that of the conventional rolled sheet. Cube{001}<100> and cubic system orientations were strongly developed in conventional rolled sheets. However, randomized textures were formed in the cross-rolled sheets without specific texture. It is thought that much shear deformation was induced during the cross rolling. The results show that the cross rolling method is effective for improving the R-value of aluminum alloys sheets and their grain refinement. As a result, it is considered that cross rolling is effective for improving formability.

keyword : alloys, rolling, Texture, EBSD, X-ray diffraction

The basic properties and electrical characteristics of sputtering films deposited with a commercial cast target and spark plasma sintering (SPS) were compared and analyzed. The results, revealed that, the Al film prepared by heating at 60℃/min (SPS process) showed a specific resistance similar to the commercial cast Al film. In addition, the results of XRD, SIMS and TEM, showed that there was not much difference in the crystal structure and impurities between the two films. Consequently, the SPS Al target was found to have properties quite similar to the commercial one and it is expected to be applied in future research to the metal wiring material for semiconductor/display devices.

keyword : Al target, sputtering film, spark plasma sintering, evaluation

We examined the microstructure and optical properties of crystallized ~30 nm-ZnO/~10 nm amorphous TiO2 nano bilayered films as nano electrodes were deposited at extremely low substrate temperatures of 150-210℃. The bilayered films were deposited on silicon substrates with 10 cm diameters by ALD (atomic layer deposition) using DEZn (diethyl zinc(Zn(C2H5)2)) and TDMAT (tetrakis dimethyl-amid titanium(Ti(N(CH3)2)4) as the ZnO and TiO2 precursors, respectively, and H2O as the oxidant. The microstructure, phase, and optical properties of the bilayered films were examined by FE-SEM, TEM, XRD, AES, and UV-VIS-NIR spectroscopy. FE-SEM and TEM showed that all bilayered films were deposited very uniformly and showed crystallized ZnO and amorphous TiO2 layers. AES depth profiling showed that the ZnO and TiO2 films had a stoichiometric composition of 1:1 and 1:2, respectively. These bilayered films have optical absorption properties in a wide range of ultraviolet wavelengths, 250-390 nm, whereas the single ZnO and TiO2 films showed an absorption range of 350-380nm.

keyword : thin films, ALD, optical properties, AES, bilayered