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Journal Articles

Modeling and simulation of atmospheric corrosion of carbon steel considering environmental factor

Igarashi, Takahiro; Komatsu, Atsushi; Kato, Chiaki; Sakairi, Masatoshi*

Tetsu To Hagane, 107(12), p.998 - 1003, 2021/12

In order to clarify the effect of environmental factors on the amount of atmospheric corrosion of steel, novel model for predicting the reduction of atmospheric corrosion considering relative humidity and rain falls was developed. We conducted a one-year calculation simulation of atmospheric corrosion in Miyakojima City, Choshi City, and Tsukuba City using the developed model. Corrosion weight loss by the simulation could reproduce the measured value well. Corrosion weight loss at each point was greatly affected by the amount of flying sea salt, relative humidity, and rain falls.

Journal Articles

Development of atmospheric corrosion model considering meteorological data and airborne sea salt

Igarashi, Takahiro; Komatsu, Atsushi; Kato, Chiaki; Sakairi, Masatoshi*

Bosei Kanri, 65(10), p.365 - 370, 2021/10

We have developed a new atmospheric simulation model considering important environmental factors such as airborne sea salt, temperature, relative humidity, and rainfall. The developed model was verified by comparing predicted values by the simulation and measured data for the weight loss by atmospheric corrosion. In addition, atmospheric corrosion simulations under open and sheltered exposure condition were conducted, and it was confirmed that the air corrosion weight loss was strongly suppressed by the surface cleaning effect due to rainfall.

Journal Articles

Three-dimensional computational modeling and simulation of intergranular corrosion propagation of stainless steel

Igarashi, Takahiro; Komatsu, Atsushi; Motooka, Takafumi*; Ueno, Fumiyoshi; Yamamoto, Masahiro

Corrosion Science and Technology, 20(3), p.105 - 111, 2021/06

We constructed three dimensional computational model using cellular automata method to simulate the intergranular corrosion propagation of stainless steel. In the model, the computational system was constructed by three types of cells: grain (bulk), grain boundary (GB), and solution cell. Our simulations revealed that the surface roughness calculated by the model adopted distributed dissolution rates of GBs was greater than that adopted constant dissolution rates of GBs. The cross-sectional images obtained by our simulation were comparable with that obtained by corrosion tests. These results indicate that the surface roughness during corrosion relates the distribution of corrosion rate.

Journal Articles

Study on the free corrosion potential at an interface between an Al electrode and an acidic aqueous NaCl solution through density functional theory combined with the reference interaction site model

Kano, Koichi*; Hagiwara, Satoshi*; Igarashi, Takahiro; Otani, Minoru*

Electrochimica Acta, 377, p.138121_1 - 138121_10, 2021/05

 Times Cited Count:5 Percentile:95.79(Electrochemistry)

We investigated the free corrosion potential at an interface between an Al electrode and an aqueous NaCl solution under acidic conditions via density functional theory combined with the effective screening medium and reference interaction site model (ESM-RISM). The electrode potentials for the anodic and cathodic corrosion reactions were obtained from the grand potential profile as a function of the electron chemical potential at the interface. Thereafter, we determined the free corrosion potential using the Tafel extrapolation method. The results of the free corrosion potential were consistent with previous experimental data. By controlling the pH, we determined the pH dependence of the free corrosion potential, and the results agreed well with the experimental results. Our results indicated that the ESM-RISM method duly described the environmental effect of an acidic solution and precisely determined the free corrosion potential.

Journal Articles

Hydrogen absorption mechanism into iron in aqueous solution including metal cations by laser ablation tests and first-principles calculations

Igarashi, Takahiro; Otani, Kyohei; Kato, Chiaki; Sakairi, Masatoshi*; Togashi, Yusuke*; Baba, Kazuhiko*; Takagi, Shusaku*

ISIJ International, 61(4), p.1085 - 1090, 2021/04

In order to clarify the effect of metal cations (Zn$$^{2+}$$, Mg$$^{2+}$$, Na$$^{+}$$) in aqueous solution on hydrogen permeation into iron, the amount of hydrogen permeation from iron surface was measured by electrochemical tests with a laser ablation. Moreover, in order to obtain the basic mechanism of hydrogen permeation with metal cation, first-principles calculations were used to acquire the adsorption potential of the metal cation and the electronic state around iron surface. By Zn$$^{2+}$$ in solution, anodic reaction on ablated surface by laser irradiation was suppressed. Also, by quantum analysis Zn atoms were chemically bonded stronger than Na and Mg atoms to iron surface. It was suggested that the dissolution reaction of iron was suppressed by the formation of the Zn layer, and that lead suppression of hydrogen permeation into iron.

Journal Articles

Mass transfer inside narrow crevice of SUS316L in high temperature water

Yamamoto, Masahiro; Soma, Yasutaka; Igarashi, Takahiro; Ueno, Fumiyoshi

Proceedings of Annual Congress of the European Federation of corrosion (EUROCORR 2018) (USB Flash Drive), 7 Pages, 2018/09

In order to clarify the SCC behavior of SUS316L under BWR environment, mass transfer inside crevice of SUS316L in high temperature water using various crevice gap samples was investigated. The samples were prepared by put together two SUS316L sheets. Crevice gap differs from 0.005 mm to 0.1 mm. Corrosion tests were conducted in 8 ppm dissolved oxygen (DO) conditions. Surface oxide film was analysed by laser Raman spectroscopy (LRS) after immersion. Numerical simulations were also conducted by using COMSOL Maltiphysics. Diffusion process of DO and the other chemical species were calculated with connected to electrochemical process. Electrical conductivities inside the crevice were 100 times larger than these of outer water. The reason of high conductivity is existence of Fe$$^{2+}$$ ions at the DO depletion crevice.

Journal Articles

Effects of environmental factors inside the crevice on corrosion of stainless steel in high temperature water

Yamamoto, Masahiro; Sato, Tomonori; Igarashi, Takahiro; Ueno, Fumiyoshi; Soma, Yasutaka

Proceedings of European Corrosion Congress 2017 (EUROCORR 2017) and 20th ICC & Process Safety Congress 2017 (USB Flash Drive), 6 Pages, 2018/09

The authors have studied the differences between outer surface and the crevice-like portion of SUS316L in high pressurized and high temperature water containing dissolved oxygen. We have already introduced that changes in the characteristics of corrosion products along the crevice directions and gap width. It is suggested that the environmental conditions are different with the features of crevice from these results. In this report, we introduce the changes in oxide films with crevice gaps and comparison with the numerical simulation data utilizing of FEM calculation.

Journal Articles

Analysis of two forms of radioactive particles emitted during the early stages of the Fukushima Dai-ichi Nuclear Power Station accident

Satou, Yukihiko; Sueki, Keisuke*; Sasa, Kimikazu*; Yoshikawa, Hideki; Nakama, Shigeo; Minowa, Haruka*; Abe, Yoshinari*; Nakai, Izumi*; Ono, Takahiro*; Adachi, Koji*; et al.

Geochemical Journal, 52(2), p.137 - 143, 2018/00

 Times Cited Count:44 Percentile:98.16(Geochemistry & Geophysics)

Journal Articles

Investigation of the chemical characteristics of individual radioactive microparticles emitted from reactor 1 by the Fukushima Daiichi Nuclear Power Plant accident by using multiple synchrotron radiation X-ray analyses

Ono, Takahiro*; Iizawa, Yushin*; Abe, Yoshinari*; Nakai, Izumi*; Terada, Yasuko*; Satou, Yukihiko; Sueki, Keisuke*; Adachi, Koji*; Igarashi, Yasuhito*

Bunseki Kagaku, 66(4), p.251 - 261, 2017/04

 Times Cited Count:26 Percentile:84.26(Chemistry, Analytical)

no abstracts in English

Journal Articles

Effect of boiling of nitric acid solution on corrosion of Stainless steel-made concentrator in reduced pressure

Ueno, Fumiyoshi; Irisawa, Eriko; Kato, Chiaki; Igarashi, Takahiro; Yamamoto, Masahiro; Abe, Hitoshi

Proceedings of European Corrosion Congress 2016 (EUROCORR 2016) (USB Flash Drive), 7 Pages, 2016/09

In this study, we focused on the effect of the boiling of nitric acid solution on the corrosion of a stainless steel-made concentrator in reduced pressure in fuel reprocessing plant. In order to perform the simulation test in a non-radioactive condition, nitric acid solution with the addition of vanadium as an oxidizing metal ion were used. Corrosion tests were carried out under the conditions of boiling at reduced pressure, and of non-boiling at normal pressure and several temperatures. As a result, corrosion was accelerated by the solution boiling while it was not by non-boiling at the same temperature. It was found also that the temperature dependence of corrosion rate is the same in the both conditions of boiling and non-boiling. The corrosion accelerating effect will be discussed on the basis of the reaction among nitric acid, NOx and vanadium, etc.

Journal Articles

Three dimensional computational modelling and simulation of intergranular corrosion propagation of stainless steel

Igarashi, Takahiro; Komatsu, Atsushi; Motooka, Takafumi; Ueno, Fumiyoshi; Yamamoto, Masahiro

Proceedings of 19th International Corrosion Congress (19th ICC) (CD-ROM), 7 Pages, 2014/11

We constructed three dimensional computational model using cellular automata method to simulate the intergranular corrosion propagation of stainless steel. By the simulation using the model, we verified the relationship between surface roughness during corrosion and dispersion of dissolution rate of grain boundaries (GB). The relationship was investigated by the simulation applying constant dissolution rate for GB cells and distributed dissolution rate of GB cells. Our simulations revealed that the surface roughness calculated by the model adopted distributed dissolution rates of GBs was greater than that adopted constant dissolution rates of GBs. The cross-sectional images obtained by our simulation were comparable with that obtained by corrosion tests. These results indicate that the surface roughness during corrosion relates the distribution of corrosion rate.

Journal Articles

Study on the effect of phosphorous concentration on intergranular corrosion of stainless steel in boiling nitric acid solution

Ueno, Fumiyoshi; Komatsu, Atsushi; Igarashi, Takahiro; Yamamoto, Masahiro

Proceedings of European Corrosion Congress 2014 (EUROCORR 2014) (USB Flash Drive), 10 Pages, 2014/09

In this paper, the effect of phosphorous concentration in grain boundary (GB) on intergranular corrosion (IC) progress was studied to understand GB corrosion behavior of stainless steels in boiling nitric acid solution. Phosphorus (P) added extra high purity type 310 stainless alloy was corroded in boiling nitric acid solution, and P in GB was detected by three-dimensional atom probe. IC progress considering with P profile in GB was studied by numerical simulation using cellular automaton method. As the results, we concluded that P concentration change around 1.4at% in GB of the alloy caused IC rate change in boiling nitric acid solution. The developed numerical method could simulate GB corrosion change with P distribution in GB.

Journal Articles

Simulations of intergranular corrosion feature for stainless steel using cellular automata method

Igarashi, Takahiro; Komatsu, Atsushi; Motooka, Takafumi; Ueno, Fumiyoshi; Kaji, Yoshiyuki; Yamamoto, Masahiro

Zairyo To Kankyo, 63(7), p.431 - 437, 2014/07

In order to obtain the relation between an intergranular corrosion behavior and an impurities for stainless steel, cellular automata modeling and simulation of intergranular corrosion was carried out. From intergranular corrosion simulation considering non-uniform phosphorus component distribution on grain boundary, it suggested that complicated intergranular corrosion shape as in experimental data was caused by the large precipitation of phosphorus compounds in part of grain boundary.

Journal Articles

Effects of thermal load and cooling condition on weld residual stress in a core shroud with numerical simulation

Li, Y.; Kaji, Yoshiyuki; Igarashi, Takahiro

Nuclear Engineering and Design, 242, p.100 - 107, 2012/01

 Times Cited Count:8 Percentile:58.08(Nuclear Science & Technology)

Journal Articles

Fast calculation approach to semi-empirical molecular orbital method using real space division method

Igarashi, Takahiro; Nakazawa, Tetsuya; Suzuki, Chikashi; Tsuru, Tomohito; Kaji, Yoshiyuki

Computational Materials Science, 50(12), p.3346 - 3349, 2011/12

 Times Cited Count:1 Percentile:5.08(Materials Science, Multidisciplinary)

The authors have developed a new approach for large-scale systems including over 100,000 atoms to obtain physical strength from the viewpoint of atom-atom bonding energy. In this study, the authors applied this method to SiH$$_{4}$$ molecule and crystalline silica system, and carried out bond order and bonding energy analyses. In this analysis, the developed method offered almost the same analytical accuracy as the first principle method, while its calculation speed was much faster than that of the latter.

Journal Articles

Density functional calculations for small iron clusters with substitutional phosphorus

Nakazawa, Tetsuya; Igarashi, Takahiro; Tsuru, Tomohito; Kaji, Yoshiyuki; Jitsukawa, Shiro

Journal of Nuclear Materials, 417(1-3), p.1090 - 1093, 2011/10

 Times Cited Count:3 Percentile:28.8(Materials Science, Multidisciplinary)

It is well known that impurities in iron which segregate to grain boundaries can dramatically change physical and chemical properties. Phosphorous, which is one of impurities, segregates at grain boundaries under thermal or irradiation environments, and brings about the intergranual embrittlement. In this study, influences of phosphorus substitutions for binding energies and electronic structures of octahedral iron cluster are investigated computationally using density functional calculations in order to understand the nature of bonding between phosphorus and iron at grain boundaries. The values of binding energies of cluster are increasing with the phosphorous substitutions. The increases are due to Fe-P bond strengthened by the charge transfer from Fe atom to P atom. On the other hand the calculated bond orders give that Fe-Fe bonds are weakened. Thus, the embrittlement induced with the segregation of P due to irradiation is considered to be associated with weakened Fe-Fe bonds.

Journal Articles

Density functional investigation of Fe$$_{n}$$ clusters (n $$leq$$ 6) with Cr substitutions; UB3LYP/LanL2DZ calculation

Nakazawa, Tetsuya; Igarashi, Takahiro; Tsuru, Tomohito; Kaji, Yoshiyuki

Computational Materials Science, 50(3), p.982 - 990, 2011/01

 Times Cited Count:8 Percentile:31.14(Materials Science, Multidisciplinary)

Geometric parameters, binding energies, natural populations, natural electron configurations and magnetic moments are obtained for the clusters of Fe$$_{n}$$, Cr$$_{n}$$ and Fe$$_{n-x}$$Cr$$_{x}$$ ($$n$$ = 2-6, $$x$$ = 1-6) optimized under the constraint of well-defined point group symmetries at the UB3LYP/LanL2DZ level. The substitutional effects of Cr in Fen are found in the properties. The binding energies of Fen are generally decreased by successive substitutions of Cr for Fe atoms in the clusters. In the mixed Fe-Cr clusters most of Cr-Cr bond lengths are larger than the Fe-Fe and Fe-Cr bond lengths. Among the Fe-Fe, Fe-Cr and Cr-Cr bond lengths in the mixed clusters, the trend is found to become larger in that order. The larger distances between atoms in the mixed clusters are mostly caused by the strong repulsion due to magnetic frustration between atoms. The changes are associated with those of electronic structure by the Cr substitutions, especially with the extent of contribution of 4s and 3d electrons to bond.

Journal Articles

Multiphysics modeling and simulation for stress corrosion cracking considering oxygen atom diffusion along grain boundary

Igarashi, Takahiro; Aoyagi, Yoshiteru; Kaji, Yoshiyuki

Proceedings of 18th International Conference on Nuclear Engineering (ICONE-18) (CD-ROM), 5 Pages, 2010/05

no abstracts in English

Journal Articles

Study of weld residual stress field in the girth seam H6a of core shroud of boiling water reactor

Li, Y.; Kaji, Yoshiyuki; Igarashi, Takahiro

Proceedings of 18th International Conference on Nuclear Engineering (ICONE-18) (CD-ROM), 6 Pages, 2010/05

Journal Articles

Ab initio calculations of Fe-Ni clusters

Nakazawa, Tetsuya; Igarashi, Takahiro; Tsuru, Tomohito; Kaji, Yoshiyuki

Computational Materials Science, 46(2), p.367 - 375, 2009/08

 Times Cited Count:22 Percentile:59.04(Materials Science, Multidisciplinary)

The clusters of Fe, Ni, and Fe-Ni are investigated computationally using a density functional approach. The geometries of clusters are optimized under the constraint of well-defined point group symmetries at the UB3LYP/LanL2DZ level. The equilibrium geometries and binding energies are presented and discussed, together with natural populations and natural electron configurations. In addition, the binding energies of Fe$$_{n-x}$$Ni$$_{x}$$ clusters are found to generally decrease by successive substitutions of Ni atoms for Fe atoms. For Fe$$_{n-x}$$ Ni$$_{x}$$ clusters, the comparisons on total energies between isomers indicate that Ni atoms energetically prefer clustering in the mixed Fe-Ni clusters. The calculations for Fe$$_{n-x}$$Ni$$_{x}$$ clusters show that the clustering leads to a segregation of Ni atoms from Fe atoms.

73 (Records 1-20 displayed on this page)