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O
thin films on Si (100) by ion beam sputter depositionMao, W.*; Fujita, Masaya*; Chikada, Takumi*; Yamaguchi, Kenji; Suzuki, Akihiro*; Terai, Takayuki*; Matsuzaki, Hiroyuki*
Surface & Coatings Technology, 283, p.241 - 246, 2015/12
Times Cited Count：3 Percentile：13.81(Materials Science, Coatings & Films)Single-phase nanocrystalline thin films of ErO (440) has been first prepared using Si (100) substrates by ion beam sputter deposition at 973 K at a pressure of 
10
Pa and 
-
annealing at 1023 K at a pressure of 
10
Pa. Er silicides formed during the deposition are eliminated via the annealing, which results in the single phase and the smooth surface of the ErO thin films. The epitaxial relationship between Si (100) and ErO (110) is clarified by X-ray diffraction and reflection high energy electron diffraction.
O (001) surface; A DFT studyMao, W.*; Chikada, Takumi*; Shimura, Kenichiro*; Suzuki, Akihiro*; Yamaguchi, Kenji; Terai, Takayuki*
Journal of Nuclear Materials, 443(1-3), p.555 - 561, 2013/11
Times Cited Count：3 Percentile：25.59(Materials Science, Multidisciplinary)In this work, 
calculations based on density functional theory (DFT) and generalized gradient approximation were performed to investigate the structural and electronic properties of the cubic Er
O
(001) surface and H adsorption processes on this surface. Several stable adsorption sites were identified, and at the most energetically favorable adsorption sites it was found that H bonds with O atoms at the cubic ErO (001) surface with an adsorption energy of 295.68 kJ mol
at coverage 1/8 ML, which was inclined to decrease with the increase of H coverage (
1/4 ML). In addition, the calculations revealed that the dissociative H atom configurations have adsorption energies that are at least 152.64 kJ mol greater than the H molecule configurations on the surface. These results are discussed in regard of the hydrogen isotope permeation behavior in the tritium permeation barrier in a fusion reactor.
Mao, W.*; Chikada, Takumi*; Suzuki, Akihiro*; Terai, Takayuki*; Yamaguchi, Kenji
Journal of Plasma and Fusion Research SERIES, Vol.10, p.27 - 32, 2013/02
A tritium permeation barrier (TPB) is strongly required in fusion blankets for the reduction of loss of fuel and radiological hazard. However, the precise tritium permeation mechanism through the TPB coatings has not been clarified yet, because of their complicated crystal structures. To understand the microscopic mechanism, we have not only prepared and characterized nanostructured ceramic ErO thin films, but also studied the energetics and mobility of hydrogen atom in cubic bulk ErO using ab initio density-functional calculations. The estimated diffusion activation energy (
) of interstitial H is somewhat higher than the diffusion energy barrier observed experimentally at 873 K. It is then considered that diffusion and permeation of hydrogen and its isotopes through the ErO coatings are likely to be dominated by the grain boundary rather than by the grain.
Yamaguchi, Akihiro*; Iwadate, Mitsuo*; Suzuki, Eiichiro*; Yura, Kei; Kawakita, Shigetsune*; Umeyama, Hideaki*; Go, Michiko*
Nucleic Acids Research, 31(1), p.463 - 468, 2003/01
Times Cited Count：15 Percentile：25.19(Biochemistry & Molecular Biology)Enlarged FAMSBASE is a relational database of comparative protein structure models for the whole genome of 41 species, presented in the GTOP database. The models are calculated by FAMS, Full Automatic Modeling System. Enlarged FAMSBASE provides a wide range of query keys, such as name of ORF (open reading frame), ORF keywords, PDB ID, PDB heterogen atoms, and sequence similarity. Heterogen atoms in PDB include cofactors, ligands, and other factors that interact with proteins, and are a good starting point for analyzing interactions between proteins and other molecules. The data may also work as a template for drug design. The present number of ORFs with protein 3D models in FAMSBASE is 183,805, and the database includes an average of three models for each ORF. FAMSBASE is available at http://famsbase.bio.nagoya-u.ac.jp/famsbase/.
Mao, W.*; Chikada, Takumi*; Suzuki, Akihiro*; Terai, Takayuki*; Yamaguchi, Kenji
no journal, ,
O thin films by ion beam sputter deposition methodFujita, Masaya*; Yamaguchi, Kenji; Asaoka, Hidehito; Mao, W.*; Chikada, Takumi*; Suzuki, Akihiro*; Terai, Takayuki*
no journal, ,
no abstracts in English
O film by means of ion beam sputter depositionFujita, Masaya*; Yamaguchi, Kenji; Asaoka, Hidehito; Mao, W.*; Chikada, Takumi*; Suzuki, Akihiro*; Terai, Takayuki*
no journal, ,
no abstracts in English
