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Miyamura, Hiroko; Ozahata, Satoshi*; Shinano, Yuji*; Miyashiro, Ryuhei*
Proceedings of 8th International Joint Conference on Computer Science and Software Engineering (JCSSE-2011), p.187 - 192, 2011/00
This paper proposes an adaptive visualization technique for representing a large-scale hierarchical dataset within a limited display space. A hierarchical dataset has nodes and links that reveal the parent-child relationship between the nodes. These nodes and links are described using graphics primitives. When the number of these primitives is large, it is difficult to recognize the structure of the hierarchical data because several primitives overlap within a display space. In order To overcome this difficulty, we propose an adaptive visualization technique for hierarchical datasets. The proposed technique selects an appropriate graph style according to the nodal density in each area.
Itakura, Mitsuhiro; Miyashiro, Satoshi*; Okita, Taira*
no journal, ,
There are very few studies for the development of interatomic potential for Austenitic steel, owing to the complexity of ternary system of Iron, Chromium and Nickel. In the present study we develop a preliminary version of an embedded atom method type potential for this ternary system. We have carried out first-principles calculations of 50 cases of randomly generated Fe23Cr5Ni4 configurations and observed relaxed crystal structure and total energy. Both the electron density and the crystal structure is found to be very close to that of a perfect FCC lattice system. By a least square fitting, we found that the energy difference between the different configurations is mainly explained by the number of nearest neighbor Cr-Cr and Ni-Ni pairs. The interaction energy between these atoms is on the order of 0.08 eV, and this result endorses the use of randomly generated configurations.
Itakura, Mitsuhiro; Miyashiro, Satoshi*; Okita, Taira*; Yamaguchi, Masatake; Okuda, Hiroshi*
no journal, ,
An embedded atom method (EAM) type interatomic potential for Fe-Cr-Ni alloys is presented. The potential is fitted to reproduce the density functional theory (DFT) calculation results of bulk properties in the FCC structure, such as lattice constant and elastic constants, based on the DFT results of randomly generated 60 atomic configurations. We show that the magnetic ordering of the periodicity (2a, 0, 0) in stabilizes the FCC lattice structure at zero temperature. To obtain the bulk properties of the stable FCC structure, all the elements are treated as non-magnetic in the DFT calculations. The validity of this non-magnetic treatment will also be discussed.