Papers by Author: Fuminobu Hori

Abstract: The Zr-Cu-Al bulk amorphous (BA) alloys, which have no long-range ordered structure, possess various properties such as high strength and toughness with compositional dependence. In the present study, in order to estimate the natures of local structure change and relaxation behavior of hyper-eutectic BA alloys during annealing, positron annihilation measurements and density measurement have been performed for hyper-eutectic Zr-Cu-Al BA alloys with annealing. The enthalpy relaxation and structural relaxation was also measured by differential scanning calorimetry (DSC) measurement. These results show that the relaxation process of free volume containing in hyper-eutectic BA alloys is different from that in hypo-eutectic alloys.

Abstract: It is well known that intermetallic compound alloys possibly include more than two types of vacancies basically, that is A-vacancy and B-vacancy in A-B compound alloy. Although MeV ordered electron irradiation produces vacancies and interstitials, the threshold energy of displacement for each elemental atom in intermetallic alloys is not necessarily same. Then the defect type introduced by the irradiation depends on electron energy. In this study, we performed positron annihilation lifetime and Doppler broadening measurements for different energy of electron irradiated B2 type Fe50%Al alloy. The values of positron annihilation lifetime for this alloy after 2 and 9 MeV electron irradiation were 200 and 172 psec, respectively. Also, the Doppler broadening parameters S and W show difference for this alloy with different energy of electron irradiation. These results suggest that different types of vacancy were induced into Fe-Al compound alloy by electron irradiation with different energies.

Abstract: We performed first-principles calculations of stable atomic structure and partial density of states (PDOS) analysis of Ethylene (C2H4) adsorption on Pd(100) surface stacked on fcc-Au using the projector augmented-wave (PAW) method. In case of Pd overlayers on the Au(100) substrate, from the analysis of PDOS around surface, highest occupied states become sharpen compared with the case of C2H4 adsorption on Pd monometallic slab surface in both di- and  adsorption model.

Abstract: Zr-based bulk glassy (BG) alloys show high tensile strength and a high Charpy impact value. In this study, the free volume changes for the hypoeutectic Zr60Cu30Al10 BG alloy during isothermal annealing below glass transition temperature (Tg) have been investigated by positron annihilation lifetime and coincidence Doppler broadening (CDB) measurements. The positron lifetime of hypoeutectic and eutectic BG alloys is almost the same, although the atomic volume ratio, estimated by the density for the eutectic BG alloy is different from that for the hypoeutectic BG alloy. The CDB spectra show a marked difference between eutectic and hypoeutectic BG alloys; that is, the spectrum of the hypoeutectic BG alloy is closes to that of Zr metal than that of the eutectic BG alloy. This result exhibits that the elemental fraction of Zr atoms around free volume in hypoeutectic BG alloy is greater than that in eutectic BG alloy. The CDB ratio profiles for the hypoeutectic BG alloy during annealing shows no appreciable change. The same trend was observed in the eutectic BG alloy.

Abstract: Atomic and electronic structures of H-adsorbed Pd overlayers on Au(100) substrates have been studied by first-principles calculations. The geometric strain effects change the electronic structure and local reactivity of the surface. The lattice strained Pd overlayers on Au surfaces have larger adsorption energies for atomic hydrogen than the unstrained Pd slabs. Adsorption energies for several adsorption sites on the models with different numbers of Pd overlayers have been analyzed from the viewpoints of strains and H-Pd and H-substrate interactions.

Abstract: We performed first-principles calculations using the projector augmented-wave (PAW) method for Au/Pd slab interface models. The calculations of relaxed configurations and energies for the thin Pd layers (3 layers) stacking on Au (111) and Au (100) slabs with an epitaxial relationship represent that Pd overlayers have a lateral expansion in both cases. This trend is in good agreement with experimental results for Pd/Au slabs and Au-Pd core-shell nanoparticles, obtained by electron microscopy, X-ray diffraction, and positron annihilation. In addition, an intermixing configuration near the Au-Pd interface was shown to be more stable than the binary separated one.