Papers by Author: Hidehiro Onodera

Abstract: Structural relaxation process in the Zr-Cu metallic glasses is investigated by using molecular dynamics simulations. The enthalpy change in isothermal annealing of the glassy state cannot be fitted by a simple exponential function but obeys a stretched exponential function, which indicates that the relaxation in glassy phase is not a single Debye type process. A close examination of individual atomic motion reveals that the enthalpy relaxation is related to a string-like cooperative motion of atoms. The analysis of the local symmetry around each atom shows that a network of the icosahedral clusters grows in the glassy phases during annealing and it closely relates to the free-volume annihilation in the structural relaxation.

Abstract: The effects of second-phase particles on the recrystallization kinetics in two-dimensional polycrystalline structures were investigated. Numerical simulations of recrystallization were performed by coupling the unified subgrain growth theory with a phase-field methodology. Simple assumptions based on experimental observations were utilized for preparing initial microstructures. The following results were obtained: (1) The presence of second-phase particles retarded recrystallization speeds. (2) If the mean subgrain size was small enough recrystallized region covered whole system for various values of the particle fraction, f. (3) On the other hand, if the mean subgrain size was not small enough the progress of recrystallization was frozen at some point.

Abstract: Although the γ"(D022) phase has been known as a strengthen phase for the turbine disk of wrought Ni-base superalloys, the computer simulation of the γ"(D022) precipitation is hardly performed. In this study, it is demonstrated that the phase-field modeling of the complex microstructure developments including γ"(D022) precipitation in Ni-V-X (X=Co,Nb,Fe) alloys. The simulation results obtained are as follows: (1) The complex morphologies of the γ(A1)+γ"(D022) two-phase microstructure, such as the maze-microstructure, the chessboard-microstructure, and the chessboard-like microstructure, in Ni-V-X (X=Co,Nb,Fe) alloys are simulated reasonably by using phase-field method. (2) The morphology of the microstructure is mainly controlled by the elastic strain energy induced from the lattice mismatch. In particular, the tetragonal distortion is a key parameter to control and understand the complex microstructure changes.

Abstract: The kinetics and topology of grain growth in three dimensions were simulated using a phase-field model with anisotropic grain-boundary mobilities. In order to perform large scale calculations we applied both modifications of algorithms and parallel coding techniques to the Fan and Chen's phase-field algorithm. Kinetics of abnormal grain growth is presented. It is observed that the grains of a minor component which are at the beginning surrounded preferentially by boundaries of high mobility grow faster than the grains of a major component until the texture reverses completely. Additionally, topological results of grain structures, such as grain size distributions and grain face distributions, are discussed

Abstract: The thermodynamic assessment of the Al-Ir binary system, one of the key sub-systems of the Ir-based alloys, was performed using the CALPHAD technique. The AlIr(B2) phase was described using the two sublattice model with the formula (Al,Ir)0.5(Ir,Va)0.5, while other intermetallic phases were treated as stoichiometric compounds. The calculated data of the phases in the Al-Ir system can be used to accurately reproduce experimental data, such as phase equilibria, invariant reactions, and formation enthalpies of the intermetallic phases.

Abstract: The phase transformations and the microstructure developments in Fe-Cu base alloys during isothermal aging are simulated based on the phase-field method. Since the chemical free energy used in this simulation is obtained from the thermodynamic database of phase diagrams, the calculated microstructure changes are directly related to the phase diagram of the real alloy system. Firstly the phase decomposition and the microstructure changes in the Fe-Cu binary alloy system are demonstrated as the simple example of the phase-field modeling, i.e., the phase decomposition in bcc phase where the Cu-rich phase forms, the structural phase transformation from bcc to fcc phase in the Cu-rich nano-particle, and the shape change of fcc-Cu precipitates from sphere to rod. Secondly, the phase decomposition in bcc phase of the multi-component alloys such as the Fe-Cu-X (X=Mn,Ni) ternary system and the Fe-Cu-Mn-Ni quaternary alloy is simulated. At the early stage of aging, the Cu-rich zone with bcc structure begins to nucleate, and the component X (=Mn, Ni) is partitioned to the Cu-rich phase. When the Cu composition in the precipitate reaches equilibrium, the component X inside the precipitates moves toward to the interface region between the precipitate and matrix. Finally, there appears the shell structure that the Cu precipitates surrounded by the thin layer with high concentration of component X.

Abstract: Formation of the icosahedral order in supercooled liquids and glassy phases is investigated for a model alloy system by using molecular dynamics simulations. The simulation results show that the short-range icosahedral order grows in the supercooled liquids as well as in the glassy phases. Structural analyses reveal that the icosahedral clusters form a network in which the clusters are connected via the pentagonal-bicap sharing. Geometrical property of the network formed by the icosahedral clusters is an origin of medium-range order in the glassy phases