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Journal Articles

Development of the ReaxFF methodology for electrolyte-water systems

Fedkin, M. V.*; Shin, Y. K.*; Dasgupta, N.*; Yeon, J.*; Zhang, W.*; van Duin, D.*; Van Duin, A. C. T.*; Mori, Kento*; Fujiwara, Atsushi*; Machida, Masahiko; et al.

Journal of Physical Chemistry A, 123(10), p.2125 - 2141, 2019/03

 Times Cited Count:44 Percentile:94.92(Chemistry, Physical)

no abstracts in English

Journal Articles

Three-dimensional electronic structures and the metal-insulator transition in Ruddlesden-Popper iridates

Yamasaki, Atsushi*; Fujiwara, Hidenori*; Tachibana, Shoichi*; Iwasaki, Daisuke*; Higashino, Yuji*; Yoshimi, Chiaki*; Nakagawa, Koya*; Nakatani, Yasuhiro*; Yamagami, Kohei*; Aratani, Hidekazu*; et al.

Physical Review B, 94(11), p.115103_1 - 115103_10, 2016/11

AA2016-0587.pdf:2.55MB

 Times Cited Count:17 Percentile:61.21(Materials Science, Multidisciplinary)

In this study, we systematically investigate three-dimensional(3D) momentum-resolved electronic structures of Ruddlesden-Popper-type iridium oxides Sr$$_{n+1}$$Ir$$_{n}$$O$$_{3n+1}$$ using soft-X-ray angle-resolved photoemission spectroscopy (SX-ARPES). Our results provide direct evidence of an insulator-to-metal transition that occurs upon increasing the dimensionality of the IrO$$_{2}$$-plane structure. This transition occurs when the spin-orbit-coupled $$j_{eff}$$ = 1/2 band changes its behavior in the dispersion relation and moves across the Fermi energy. By scanning the photon energy over 350 eV, we reveal the 3D Fermi surface in SrIrO$$_{3}$$ and $$k_{z}$$-dependent oscillations of photoelectron intensity in Sr$$_{3}$$Ir$$_{2}$$O$$_{7}$$. To corroborate the physics deduced using low-energy ARPES studies, we propose to utilize SX-ARPES as a powerful complementary technique, as this method surveys more than one whole Brillouin zone and provides a panoramic view of electronic structures.

Journal Articles

Thorium and americium solubilities in cement pore water containing superplasticiser compared with thermodynamic calculations

Kitamura, Akira; Fujiwara, Kenso; Mihara, Morihiro; Cowper, M.*; Kamei, Gento

Journal of Radioanalytical and Nuclear Chemistry, 298(1), p.485 - 493, 2013/10

 Times Cited Count:11 Percentile:64.2(Chemistry, Analytical)

Solubility of thorium and americium in pore water squeezed from a cement paste was investigated by a batch method from oversaturation. The ordinary Portland cement was mixed with deionised water to prepare a cement paste from which the pore water was squeezed following solidification. Another batch of pore water was collected by the same method except that a superplasticiser was added to the deionised water used to prepare the cement paste. The aim was to investigate an effect of superplasticiser on solubility of thorium and americium in the squeezed cement porewaters. The obtained solubility values in the two squeezed pore waters (with and without superplasticiser present) were similar. Thermodynamic calculations were performed with the JAEA-TDB thermodynamic database and compared with the experimental data to verify their applicability. This result showed that superplasticisers after mixing with the cement paste did not have a significant effect on solubility of thorium and americium, and the thermodynamic calculations were applicable in the present system. Size distribution of colloidal species of thorium and americium was also investigated.

Journal Articles

Direct $$kappa$$-space mapping of the electronic structure in an oxide-oxide interface

Berner, G.*; Sing, M.*; Fujiwara, Hidenori*; Yasui, Akira*; Saito, Yuji; Yamasaki, Atsushi*; Nishitani, Yoshihito*; Sekiyama, Akira*; Pavlenko, N.*; Kopp, T.*; et al.

Physical Review Letters, 110(24), p.247601_1 - 247601_5, 2013/06

 Times Cited Count:132 Percentile:96.58(Physics, Multidisciplinary)

The interface between LaAlO$$_{3}$$ and SrTiO$$_{3}$$ hosts a two-dimensional electron system of itinerant carriers, although both oxides are band insulators. Interface ferromagnetism coexisting with superconductivity has been found and attributed to local moments. Experimentally, it has been established that Ti 3$$d$$ electrons are confined to the interface. Using soft X-ray angle-resolved resonant photoelectron spectroscopy we have directly mapped the interface states in $$kappa$$ space. Our data demonstrate a charge dichotomy. A mobile fraction contributes to Fermi surface sheets, whereas a localized portion at higher binding energies is tentatively attributed to electrons trapped by O vacancies in the SrTiO$$_{3}$$.

Journal Articles

Coupling of the hydration water dynamics and the internal dynamics of actin detected by quasielastic neutron scattering

Fujiwara, Satoru; Plazanet, M.*; Oda, Toshiro*

Biochemical and Biophysical Research Communications, 431(3), p.542 - 546, 2013/02

 Times Cited Count:4 Percentile:11.19(Biochemistry & Molecular Biology)

Journal Articles

Dynamics of cardiomyopathy-causing mutant of troponin measured by neutron scattering

Matsuo, Tatsuhito; Natali, F.*; Plazanet, M.*; Zaccai, G.*; Fujiwara, Satoru

Journal of the Physical Society of Japan, 82(Suppl.A), p.SA020_1 - SA020_5, 2013/01

 Times Cited Count:3 Percentile:27.27(Physics, Multidisciplinary)

Troponin is a protein that regulates the muscle contraction depending on the intracellular Ca$$^{2+}$$ concentration. K247R mutation of TnT is known to cause the hypertrophic cardiomyopathy. In this work, neutron scattering was used to detect possible changes in dynamics of troponin caused by mutation. Elastic incoherent neutron scattering experiments were carried out on solution samples of the wild type, and K247R mutant at the IN13 spectrometer at the Institut Laue-Langevin, at temperatures between 280 K and 292 K with an interval of 3 K. From the measured scattering data, force constants ($$<$$k$$>$$), which reflect the resilience of the protein, were calculated. The $$<$$k$$>$$ values for the wild type and K247R mutant were 0.077 (0.035) N/m and 0.046 (0.026) N/m (mean(s.d.)), respectively. This suggests that the disease-causing mutant is more flexible than the wild type. The large flexibility might modulate Ca$$^{2+}$$ signal transmission mechanism, leading to the functional aberration.

Journal Articles

Event structure and double helicity asymmetry in jet production from polarized $$p + p$$ collisions at $$sqrt{s}$$ = 200 GeV

Adare, A.*; Afanasiev, S.*; Aidala, C.*; Ajitanand, N. N.*; Akiba, Y.*; Al-Bataineh, H.*; Alexander, J.*; Aoki, K.*; Aphecetche, L.*; Armendariz, R.*; et al.

Physical Review D, 84(1), p.012006_1 - 012006_18, 2011/07

 Times Cited Count:29 Percentile:72.31(Astronomy & Astrophysics)

We report on the event structure and double helicity asymmetry ($$A_{LL}$$) of jet production in longitudinally polarized $$p + p$$ collisions at $$sqrt{s}$$ = 200 GeV. Photons and charged particles were measured by the PHENIX experiment. Event structure was compared with the results from PYTHIA event generator. The production rate of reconstructed jets is satisfactorily reproduced with the next-to-leading-order perturbative QCD calculation. We measured $$A_{LL}$$ = -0.0014 $$pm$$ 0.0037 at the lowest $$P_T$$ bin and -0.0181 $$pm$$ 0.0282 at the highest $$P_T$$ bin. The measured $$A_{LL}$$ is compared with the predictions that assume various $$Delta G(x)$$ distributions.

Journal Articles

Identified charged hadron production in $$p + p$$ collisions at $$sqrt{s}$$ = 200 and 62.4 GeV

Adare, A.*; Afanasiev, S.*; Aidala, C.*; Ajitanand, N. N.*; Akiba, Yasuyuki*; Al-Bataineh, H.*; Alexander, J.*; Aoki, Kazuya*; Aphecetche, L.*; Armendariz, R.*; et al.

Physical Review C, 83(6), p.064903_1 - 064903_29, 2011/06

 Times Cited Count:184 Percentile:99.44(Physics, Nuclear)

Transverse momentum distributions and yields for $$pi^{pm}, K^{pm}, p$$, and $$bar{p}$$ in $$p + p$$ collisions at $$sqrt{s}$$ = 200 and 62.4 GeV at midrapidity are measured by the PHENIX experiment at the RHIC. We present the inverse slope parameter, mean transverse momentum, and yield per unit rapidity at each energy, and compare them to other measurements at different $$sqrt{s}$$ collisions. We also present the scaling properties such as $$m_T$$ and $$x_T$$ scaling and discuss the mechanism of the particle production in $$p + p$$ collisions. The measured spectra are compared to next-to-leading order perturbative QCD calculations.

Journal Articles

Internal motions of actin characterized by quasielastic neutron scattering

Fujiwara, Satoru; Plazanet, M.*; Matsumoto, Fumiko; Oda, Toshiro*

European Biophysics Journal, 40(5), p.661 - 671, 2011/05

 Times Cited Count:10 Percentile:30.04(Biophysics)

Journal Articles

Development of a sub-MeV X-ray source via Compton backscattering

Kawase, Keigo; Kando, Masaki; Hayakawa, Takehito; Daito, Izuru; Kondo, Shuji; Homma, Takayuki; Kameshima, Takashi*; Kotaki, Hideyuki; Chen, L. M.*; Fukuda, Yuji; et al.

Nuclear Instruments and Methods in Physics Research A, 637(1, Suppl.), p.S141 - S144, 2011/05

 Times Cited Count:7 Percentile:48.91(Instruments & Instrumentation)

We report the present status of the sub-MeV X-ray generation via Compton backscattering by using 150-MeV electron beam and the Nd:YAG laser. In particular, we show the result of the X-ray generation experiment and of the laser pulse compression for increasing the X-ray flux.

Journal Articles

High-accuracy measurement of plutonium mass by non-destructive assay; An Improved approach for the effectiveness and efficiency of safeguards

Nagatani, Taketeru; Nakajima, Shinji; Asano, Takashi; Fujiwara, Shigeo; Menlove, H. O.*; Swinhoe, M. T.*; Browne, M. C.*

Journal of Nuclear Materials Management, 39(3), p.4 - 10, 2011/04

Journal Articles

Azimuthal correlations of electrons from heavy-flavor decay with hadrons in $$p+p$$ and Au+Au collisions at $$sqrt{s_{NN}}$$ = 200 GeV

Adare, A.*; Afanasiev, S.*; Aidala, C.*; Ajitanand, N. N.*; Akiba, Yasuyuki*; Al-Bataineh, H.*; Alexander, J.*; Aoki, Kazuya*; Aphecetche, L.*; Aramaki, Y.*; et al.

Physical Review C, 83(4), p.044912_1 - 044912_16, 2011/04

 Times Cited Count:8 Percentile:49.7(Physics, Nuclear)

Measurements of electrons from the decay of open-heavy-flavor mesons have shown that the yields are suppressed in Au+Au collisions compared to expectations from binary-scaled $$p+p$$ collisions. Here we extend these studies to two particle correlations where one particle is an electron from the decay of a heavy flavor meson and the other is a charged hadron from either the decay of the heavy meson or from jet fragmentation. These measurements provide more detailed information about the interaction between heavy quarks and the quark-gluon matter. We find the away-side-jet shape and yield to be modified in Au+Au collisions compared to $$p+p$$ collisions.

Journal Articles

Measurement of neutral mesons in $$p$$ + $$p$$ collisions at $$sqrt{s}$$ = 200 GeV and scaling properties of hadron production

Adare, A.*; Afanasiev, S.*; Aidala, C.*; Ajitanand, N. N.*; Akiba, Y.*; Al-Bataineh, H.*; Alexander, J.*; Aoki, K.*; Aphecetche, L.*; Armendariz, R.*; et al.

Physical Review D, 83(5), p.052004_1 - 052004_26, 2011/03

 Times Cited Count:175 Percentile:98.48(Astronomy & Astrophysics)

The PHENIX experiment at RHIC has measured the invariant differential cross section for production of $$K^0_s$$, $$omega$$, $$eta'$$ and $$phi$$ mesons in $$p + p$$ collisions at $$sqrt{s}$$ = 200 GeV. The spectral shapes of all hadron transverse momentum distributions are well described by a Tsallis distribution functional form with only two parameters, $$n$$ and $$T$$, determining the high $$p_T$$ and characterizing the low $$p_T$$ regions for the spectra, respectively. The integrated invariant cross sections calculated from the fitted distributions are found to be consistent with existing measurements and with statistical model predictions.

Journal Articles

Improvement of SBS laser pulse compression system for the Compton backscattered X-ray source

Kawase, Keigo; Kando, Masaki; Hayakawa, Takehito; Daito, Izuru; Kondo, Shuji; Homma, Takayuki; Kameshima, Takashi*; Kotaki, Hideyuki; Chen, L. M.*; Fukuda, Yuji; et al.

JAEA-Conf 2010-002, p.95 - 98, 2010/06

At the previous symposium in Advanced Photon Research, we proposed and demonstrated the laser pulse compression via stimulated Brillouin scattering (SBS) for increasing the flux of the Compton backscattered X rays. After that, we improved the SBS pulse compression system by introducing the image relay in the laser transport line. As a result, we achieve the stably compressed laser pulse with a duration of 2.1 ns and with an energy of 0.84 J. By installing this system into the Compton backscattered X-ray source, the X-ray flux will be increased 3.2 times for the present system at the KPSI-JAEA.

Journal Articles

Isoscalar giant resonances in the Sn nuclei and implications for the asymmetry term in the nuclear-matter incompressibility

Li, T.*; Garg, U.*; Liu, Y.*; Marks, R.*; Nayak, B. K.*; Madhusudhana Rao, P. V.*; Fujiwara, Mamoru*; Hashimoto, Hisanobu*; Nakanishi, Kosuke*; Okumura, Shun*; et al.

Physical Review C, 81(3), p.034309_1 - 034309_11, 2010/03

 Times Cited Count:107 Percentile:97.48(Physics, Nuclear)

Journal Articles

"J-KAREN"; High intensity laser

Kiriyama, Hiromitsu; Mori, Michiaki; Nakai, Yoshiki; Shimomura, Takuya*; Tanoue, Manabu*; Akutsu, Atsushi; Okada, Hajime; Motomura, Tomohiro*; Kondo, Shuji; Kanazawa, Shuhei; et al.

JAEA-Conf 2008-007, p.13 - 16, 2008/08

One of the main bottlenecks for the applications of ultrashort and ultrahigh-peak power lasers in high-field physics is a temporal contrast of the pulses. In ultrahigh-peak power lasers, a nanosecond background of the amplified spontaneous emission (ASE) is generated at the same time as the femtosecond pulse. This background is mostly generated in the preamplifier (regenerative, multipass amplifier). Even though the contrast level is usually in the range from 10$$^{-5}$$ to 10$$^{-6}$$, this level is not sufficiently low at relativistic intensities greater than 10$$^{18} $$W/cm$$^{2}$$ to avoid unwanted pre-plasmas generation. We demonstrated a high-contrast, high-peak power laser with optical parametric chirped-pulse amplification (OPCPA). With the use of OPCPA, contrast is enhanced to better than 7$$times$$10$$^{-9}$$ in a few picoseconds before the main pulse, which corresponds to an improvement of three to four orders in magnitude compared with conventional systems.

Journal Articles

Differences in internal dynamics of actin under different structural states detected by neutron scattering

Fujiwara, Satoru; Plazanet, M.*; Matsumoto, Fumiko; Oda, Toshiro*

Biophysical Journal, 94(12), p.4880 - 4889, 2008/06

 Times Cited Count:9 Percentile:21.55(Biophysics)

Actin plays crucial roles in various aspects of cell motility. Flexibility of F-actin, a filamentous polymer formed by polymerization of the monomers (G-actin), is important for such a variety of functions. This flexibility allows F-actin to interact with various proteins, thereby expressing multiple functions. Understanding the variety of functions of actin thus requires understanding the flexibility of F-actin. As a first step towards this ultimate purpose, we carried out elastic incoherent neutron scattering (EINS) experiments on G-actin and F-actin under hydrated states. The mean square displacement (MSD) was estimated from the EINS measurements. Temperature dependence of MSD showed that two dynamical transitions occur at about 150 K and about 245 K, and that behavior of MSD is different between G-actin and F-actin, such that G-actin is "softer" than F-actin. The different behavior observed is ascribed to the differences in dynamical heterogeneity between F-actin and G-actin.

Journal Articles

Cavitation damage prediction for spallation target vessels by assessment of acoustic vibration

Futakawa, Masatoshi; Kogawa, Hiroyuki; Hasegawa, Shoichi; Ikeda, Yujiro; Riemer, B.*; Wendel, M.*; Haines, J.*; Bauer, G.*; Naoe, Takashi; Okita, Kohei*; et al.

Journal of Nuclear Materials, 377(1), p.182 - 188, 2008/06

 Times Cited Count:28 Percentile:85.1(Materials Science, Multidisciplinary)

no abstracts in English

Journal Articles

Sub-MeV tunably polarized X-ray production with laser Thomson backscattering

Kawase, Keigo; Kando, Masaki; Hayakawa, Takehito; Daito, Izuru; Kondo, Shuji; Homma, Takayuki; Kameshima, Takashi; Kotaki, Hideyuki; Chen, L.-M.; Fukuda, Yuji; et al.

Review of Scientific Instruments, 79(5), p.053302_1 - 053302_8, 2008/05

 Times Cited Count:19 Percentile:62.38(Instruments & Instrumentation)

Reported in this article is the generation of unique polarized X-rays in the sub-MeV region by means of the Thomson backscattering of the Nd:YAG laser photon with a wavelength of 1064 nm on the 150 MeV electron from the microtron accelerator. The maximum energy of the X-ray photons is estimated to about 400 keV. The total energy of the backscattered X-ray pulse is measured with an imaging plate and a LYSO scintillator. The angular divergence of the X-rays is also measured by using the imaging plate. We confirm that the X-ray beam is polarized according to the laser polarization direction with the Compton scattering method. In addition, we demonstrate the imaging of the object shielded by lead with the generated X-rays.

Journal Articles

Measurement of the spin and magnetic moment of $$^{23}$$Al

Ozawa, Akira*; Matsuta, Kensaku*; Nagatomo, Takashi*; Mihara, Mototsugu*; Yamada, Kazunari*; Yamaguchi, Takayuki*; Otsubo, Takashi*; Momota, Sadao*; Izumikawa, Takuji*; Sumikama, Toshiyuki*; et al.

Physical Review C, 74(2), p.021301_1 - 021301_4, 2006/08

 Times Cited Count:43 Percentile:89.22(Physics, Nuclear)

no abstracts in English

67 (Records 1-20 displayed on this page)