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C ions based on first-principles calculationsSekikawa, Takuya; Matsuya, Yusuke; Hwang, B.*; Ishizaka, Masato*; Kawai, Hiroyuki*; Ono, Yoshiaki*; Sato, Tatsuhiko; Kai, Takeshi
Nuclear Instruments and Methods in Physics Research B, 548, p.165231_1 - 165231_6, 2024/03
Times Cited Count：0 Percentile：0.44(Instruments & Instrumentation)One of the main causes of radiation effects on the human body is thought to be damage to DNA, which carries genetic information. However, it is not fully understood what kind of molecular structural changes DNA undergoes upon radiation damage. Since it has been reported that various types of DNA damage are formed when DNA is irradiated, our group has investigated the relationship between DNA damage and various patterns of radiation-induced ionization induced by radiation. Although we have so far analyzed DNA damage in a simple system using a rigid body model of DNA, more detailed calculations are required to analyze the molecular structural changes in DNA, which are considered to be important in considering the effects on the human body. In this study, we attempted to clarify the molecular conformational changes of DNA using OpenMX, a first-principles calculation software that can discuss electronic states based on molecular structures. Specifically, we calculated the most stable structure, band dispersion, and wave function of DNA under the assumption that one and two electrons are ionized by various radiation. In the presentation, we will discuss the relationship between the energy dependence of each incident radiation type and the molecular conformational change of DNA. In addition, the radiation-induced changes in the basic physical properties of DNA (corresponding to the initial stage of DNA damage) will be discussed from the viewpoints of both radiation physics and solid state physics.
Takayama, Yusuke; Iizuka, Atsushi*; Kawai, Katsuyuki*
Environmental Geotechnics (Internet), 4(5), p.339 - 352, 2017/10
Times Cited Count：1 Percentile：6.79(Engineering, Geological)Due to its low permeability and excellent expansion characteristics, bentonite materials are considered to be the material of choice for engineered barriers in Trans-Uranium (TRU) disposal facilities. It is necessity to predict the mechanical behaviour of bentonite using numerical simulation to evaluate the long-term performance of a TRU disposal facility. In this paper, a comprehensive summary of the saturation process of bentonite and its mathematical modelling was explained. Subsequently, a series of numerical simulations were carried out. First, a one-dimensional swelling pressure test simulation was carried out in order to examine the swelling characteristics of buffer and backfill. Next, we simulated the saturation process in a TRU disposal facility from an initially unsaturated state. The mechanical behaviour of bentonite buffer and backfill in a TRU disposal facility during the saturation process was examined.
Takayama, Yusuke; Tachibana, Shinya*; Iizuka, Atsushi*; Kawai, Katsuyuki*; Kobayashi, Ichizo*
Soils and Foundations, 57(1), p.80 - 91, 2017/02
Times Cited Count：11 Percentile：48.77(Engineering, Geological)Bentonite has remarkable swelling characteristics and low permeability that makes it a suitable buffer material in a purpose built repository for the geological disposal of radioactive waste. It is necessary to use reliable numerical simulation techniques to demonstrate that the repository is safe and mechanically stable for tens of thousands of years. Constitutive model that describes the mechanical behavior of bentonite is a key technique in such numerical simulations. The current paper proposes a constitutive model for bentonite, which treats bentonite as an unsaturated elasto-plastic material that changes its mechanical properties as it becomes saturated. In the proposed model, the swelling index and an expression formula for negative dilatancy are treated as functions of degree-of-saturation. Montmorillonite content is used as an input parameter in the proposed model and so is applicable to a variety of bentonite based materials of varying montmorillonite content. Experimental results from swelling volume and swelling pressure tests taken from the literature are shown to be satisfactorily predicted by the proposed model.
C level structure by 
-ray spectroscopyHosomi, Kenji; Ma, Y.*; Ajimura, Shuhei*; Aoki, Kanae*; Dairaku, Seishi*; Fu, Y.*; Fujioka, Hiroyuki*; Futatsukawa, Kenta*; Imoto, Wataru*; Kakiguchi, Yutaka*; et al.
Progress of Theoretical and Experimental Physics (Internet), 2015(8), p.081D01_1 - 081D01_8, 2015/08
Times Cited Count：14 Percentile：66.59(Physics, Multidisciplinary)Level structure of the C hypernucleus was precisely determined by means of -ray spectroscopy. We identified four -ray transitions via the C
reaction using a germanium detector array, Hyperball2. The spacing of the ground-state doublet 
was measured to be 
(stat)
(syst)keV from the direct 
transition. Excitation energies of the 
and 
states were measured to be 
, keV and 
, keV, respectively. The obtained level energies provide definitive references for the reaction spectroscopy of 
hypernuclei.
Takayama, Yusuke*; Ikuta, Yuki*; Iizuka, Atsushi*; Kawai, Katsuyuki*; Taki, Tomihiro; Sakao, Ryota; Ichikawa, Yasuaki*
Unsaturated Soils; Research & Applications, p.659 - 665, 2014/06
In this paper, a multiple unsaturated soil barrier consisting of gravel, sand and bentonite-mixed soil layers is considered as a hardly permeable covering to prevent rainwater from infiltrating into waste deposits. Not only the quite low permeability of bentonite-mixed soil layer but also a function of capillary barrier between granular layers having different water-retention capabilities is expected to prevent water infiltration. A series of numerical simulation is carried out to evaluate performance of the multiple soil barrier using saturated/unsaturated soil/water coupled FE computation technique. The multiple unsaturated soil barrier system considered here is 10m long and 1.5 m thick consisting of sandy soil surface, sand filter, gravel layer, sand filter and bentonite-mixed clayey layer. And the soil barrier system is assumed to be placed as a covering with a 5% inclination on the waste deposit. The performance of the multiple soil barrier system is shown as a management chart to maintain impermeable ability associated with possible rainfall intensity. Particularly, in this paper, actual rainfall record in Okayama area is employed to determine the rainfall intensity which is imposed as a boundary condition in the computation. According to the simulation results, it is found that the capillary barrier is a key issue in evaluating the long term performance of the barrier system. And, it is confirmed that the barrier system considered in this paper can work well against the maximum intensity of the rainfall in the past record.
Ide, Takayuki*; Kawai, Yusuke*; Handa, Hiroyuki*; Fukidome, Hirokazu*; Kotsugi, Masato*; Okochi, Takuo*; Enta, Yoshiharu*; Kinoshita, Toyohiko*; Yoshigoe, Akitaka; Teraoka, Yuden; et al.
Japanese Journal of Applied Physics, 51(6), p.06FD02_1 - 06FD02_4, 2012/06
Times Cited Count：7 Percentile：30.45(Physics, Applied)
realized at the quantum critical pointSettai, Rikio*; Kawai, Tomoya*; Miyauchi, Yuichiro*; Okuda, Yusuke*; Onuki, Yoshichika; Takeuchi, Tetsuya*; Tateiwa, Naoyuki; Matsuda, Tatsuma; Haga, Yoshinori; Harima, Hisatomo*
Kotai Butsuri, 43(8), p.459 - 474, 2008/08
The magnetic transition temperature of an antiferromagnet CeIrSi decreases with increasing hydrostatic pressure, and finally superconductivity appears. An exotic superconducting symmetry is expected because of the absence of the inversion center in the crystal structure. One of the prominent features is the anomalously large upper critical field observed around the quantum critical point.
(T:transition metal and X:Si and Ge) with non-centrosymmetric crystal structureKawai, Tomoya*; Muranaka, Hiroshi*; M
asson, M.-A.*; Shimoda, Tetsuya*; Doi, Yusuke*; Matsuda, Tatsuma; Haga, Yoshinori; Knebel, G.*; Lapertot, G.*; Aoki, Dai*; et al.
Journal of the Physical Society of Japan, 77(6), p.064716_1 - 064716_9, 2008/06
Times Cited Count：67 Percentile：89.17(Physics, Multidisciplinary)Physical properties of cerium compounds CeTX were studied on single crystals. Electrical resistivity, magnetization as well as their pressure dependence revealed that the antiferromagnetism of CeCoGe is destroyed under hydrostatic pressure above 5.4 GPa and the superconductivity appears above this pressure.
(T:transition metal) and PrCoGe with the non-centrosymmetric crystal structureKawai, Tomoya*; Muranaka, Hiroshi*; Endo, Toyoaki*; Nguyen, D.; Doi, Yusuke*; Ikeda, Shugo*; Matsuda, Tatsuma; Haga, Yoshinori; Harima, Hisatomo*; Settai, Rikio*; et al.
Journal of the Physical Society of Japan, 77(6), p.064717_1 - 064717_15, 2008/06
Times Cited Count：44 Percentile：83.61(Physics, Multidisciplinary)Fermi surfaces of the non-centrosymmetric LaTGe and PrCoGe have been studied in detail using the de Haas-van Alphen effect. Splitting of the conduction bands due to the spin-orbit interaction was clearly observed. These results are important in understanding the exotic superconductivity realized in non-centrosymmetric structure.
without inversion symmetry in the crystal structureKawai, Tomoya*; Okuda, Yusuke*; Shishido, Hiroaki*; Thamizhavel, A.*; Matsuda, Tatsuma; Haga, Yoshinori; Nakashima, Miho*; Takeuchi, Tetsuya*; Hedo, Masato*; Uwatoko, Yoshiya*; et al.
Journal of the Physical Society of Japan, 76(1), p.014710_1 - 014710_6, 2007/01
Times Cited Count：22 Percentile：71.06(Physics, Multidisciplinary)We succeeded in growing a single crystal of CePtSi by the Sn-flux method. CePtSi is found to be an antiferromagnet with two transitions at 4.8 and 2.4 K. Magnetic easy direction was [100] direction with an ordered moment of 1.15 
/Ce. The anisotropy is similar to that of CeIrSi in which the pressure-induced superconductivity was observed.
Tanikawa, Ryusuke*; Sakaguchi, Norihito*; Watanabe, Seiichi*; Kinoshita, Hiroshi*; Kokawa, Hiroyuki*; Kawai, Masayoshi*; Yamashita, Shinichiro
no journal, ,
no abstracts in English
Sakaguchi, Norihito*; Tanikawa, Ryusuke*; Endo, Masaki*; Watanabe, Seiichi*; Kokawa, Hiroyuki*; Kawai, Masayoshi*; Yamashita, Shinichiro; Yano, Yasuhide
no journal, ,
no abstracts in English
Ikuta, Yuki*; Takayama, Yusuke*; Tsurumi, Shuhei*; Ichikawa, Yasuaki*; Iizuka, Atsushi*; Kawai, Katsuyuki*; Taki, Tomihiro; Sakao, Ryota
no journal, ,
As a part of remediation of closed uranium mine, "Yotsugi Mill Tailings Pond" has been remediated in Ningyo-toge Environmental Engineering Center, Japan Atomic Energy Agency. The aim of remediation is to take measures to reduce the load of water treatment and the radon exposure to humans in future, and to prevent the occurrence of relevant environmental contamination. So far, the upstream of the Pond has been covered by the multi-layered capping in which layers are set to use gravel, sand and decomposed granite soil to drain penetrated rainwater to the neighboring river. This capping system needs to be monitored on a long-term basis and to be evaluated to work as expected in advance, therefore seepage analysis and settlement analysis has carried out. As a result, Settlement of analysis was well accorded with measured value and marked change of saturation accompanied by rain was not observed in the seepage analysis.
Sasaki, Yosuke*; Takayama, Yusuke*; Ikuta, Yuki*; Iizuka, Atsushi*; Kawai, Katsuyuki*; Sakao, Ryota; Taki, Tomihiro
no journal, ,
As part of environmental remediation of Ningyo-toge Uranium Mine, multi-layered capping is constructed to reduce rainwater infiltration at the upstream of the Mill Tailings Pond. Settlement is expected due to consolidation characteristics of mill tailings and clayish sediments which exist below capping. Numerical simulation is carried out to expect the settlement amount during and after the capping construction. Settlement amount has been measured periodically, and the simulation result and measurement data are compared to evaluate the simulation method.
Sekikawa, Takuya; Hwang, B.*; Ishizaka, Masato*; Matsuya, Yusuke*; Kawai, Hiroyuki*; Ono, Yoshiaki*; Sato, Tatsuhiko; Kai, Takeshi
no journal, ,
Deoxyribonucleic acid (DNA) carries the genetic information of living organisms through various combinations of guanine, cytosine, adenine, and thymine, and radiation biological effects are mainly caused by damage to DNA. In this study, in order to theoretically investigate the transient molecular conformational changes that occur before DNA damage takes hold, we analyzed the behavior of the sites responsible for the conformational changes and chemical reactions by targeting the DNA that produced the holes using the first-principles calculation software OpenMX. As a result, it was confirmed that the holes reproduce the event of trapping in the guanine molecule of DNA, which reproduces the experimental results, and it was also newly found that the DNA sugar chain shows intense molecular fluctuation. The results of this study are expected to contribute to the elucidation of the first-phase process of radiation biological effects.
Sekikawa, Takuya; Hwang, B.*; Ishizaka, Masato*; Matsuya, Yusuke; Kawai, Hiroyuki*; Ono, Yoshiaki*; Sato, Tatsuhiko; Kai, Takeshi
no journal, ,
Deoxyribonucleic acid (DNA) carries the genetic information of living organisms through various combinations of guanine, cytosine, adenine, and thymine, and radiation biological effects are mainly caused by damage to this DNA. In this study, we theoretically investigated the transient molecular conformational changes that occur before DNA damage takes hold, using the heavy particle and ion transport code PHITS and the first-principles calculation software OpenMX. As a result, it was clarified that the chemical reaction site of DNA shifts from guanine and cytosine, which carry genetic information, to the sugar chain, which supports the entire DNA, and that the new DNA sugar chain shows intense molecular fluctuations. The results of this study will contribute to the elucidation of the initial process of radiation biological effects.
Sekikawa, Takuya; Matsuya, Yusuke; Hwang, B.*; Ishizaka, Masato*; Kawai, Hiroyuki*; Ono, Yoshiaki*; Sato, Tatsuhiko; Kai, Takeshi
no journal, ,
Deoxyribonucleic acid (DNA) carries the genetic information of living organisms through various combinations of guanine, cytosine, adenine, and thymine, and biological effects of radiation are mainly caused by damage to this DNA. In this study, in order to theoretically investigate the transient changes in molecular structure until DNA damage is established, the number of holes produced by radiation-induced carbon beams was calculated using the Particle and Heavy Ion Transport code System (PHITS), and the number of holes produced by the first The first principle calculation software OpenMX was used to calculate the sites responsible for conformational changes and chemical reactions by targeting the DNA that produced the holes. As a result, the experimental result that a small number of holes are trapped in the guanine molecule of DNA is reproduced, while a large number of holes are trapped in the hybrid orbital of the sugar chain and guanine molecule of DNA. The results of this study are expected to contribute to the elucidation of the initial processes of radiation biological effects.
Sekikawa, Takuya; Hwang, B.*; Ishizaka, Masato*; Matsuya, Yusuke*; Kawai, Hiroyuki*; Ono, Yoshiaki*; Sato, Tatsuhiko; Kai, Takeshi
no journal, ,
Deoxyribonucleic acid (DNA) carries the genetic information of living organisms through various combinations of guanine, cytosine, adenine, and thymine, and radiation biological effects are mainly caused by damage to this DNA. In this study, in order to theoretically investigate the transient molecular conformational changes until DNA damage is established, we used the first-principles calculation software OpenMX to perform calculations targeting DNA that produces 1
20 holes, where the holes are trapped in the guanine bases of the DNA when there are few holes and the DNA with many holes In the case of DNA, it was found that the main strand mainly contributes to the chemical reaction. The results of this study will contribute to the elucidation of the first-phase processes of radiation biological effects.
