Neutron diffraction study of the crystal and magnetic structures of antiferromagnetic manganese deuteride at high temperatures and high pressures

Machida, Akihiko*; Saito, Hiroyuki*; Aoki, Katsutoshi*; Komatsu, Kazuki*; Hattori, Takanori; Sano, Asami; Funakoshi, Kenichi*; Machida, Shinichi*; Sato, Toyoto*; Orimo, Shinichi*

Physical Review B, 111(22), p.224413_1 - 224413_6, 2025/06

https://doi.org/10.1103/yf8k-cy61

The crystal and magnetic structures of antiferromagnetic Mn deuterides formed by hydrogenating Mn metal at high temperature and high pressure, fcc -MnDx and hcp -MnDx, were investigated by in-situ neutron powder diffraction. Deuterium atoms partially occupied the octahedral interstitial positions of the fcc and hcp metal lattices. The site occupancies increased rapidly with decreasing temperature from 700 to 450 K and remained down to 300 K. Nel temperature of 543(10) K was determined for -MnD. For -MnD, saturation magnetic moment and Nel temperature were determined to be 0.82(1) and 347(3) K, respectively. The Nel temperatures determined for -MnD and -MnD are consistent with those predicted by the respective Slater-Pauling curves proposed in previous studies. The updated Nel temperatures provide insights into the development of more accurate Slater-Pauling curves based on electronic band structure calculations.

None

Kumada, Takayuki; Iwahara, Daisuke*

Isotope News, (798), p.26 - 27, 2025/04

no abstracts in English

Ordered graphane nanoribbons synthesized via high-pressure diels-alder polymerization of 2,2'-bipyrazine

Li, F.*; Tang, X.*; Fei, Y.*; Zhang, J.*; Liu, J.*; Lang, P.*; Che, G.*; Zhao, Z.*; Zheng, Y.*; Fang, Y.*; et al.

Journal of the American Chemical Society, 147(17), p.14054 - 14059, 2025/04

https://doi.org/10.1021/jacs.5c03116

We synthesized a crystalline graphane nanoribbon (GANR) via pressure-induced polymerization of 2,2'-bipyrazine (BPZ). By performing Rietveld refinement of in situ neutron diffraction data, nuclear magnetic resonance spectroscopy, infrared spectra, and theoretical calculation, we found that BPZ experienced Diels-Alder polymerization between the stacked aromatic rings, and formed extended boat-GANR structures with exceptional long-range order. The unreacted -C=N- groups bridge the two ends of the boat, and ready for further functionalization. The GANR has a bandgap of 2.25 eV, with booming photoelectric response (/ =18.8). Our work highlights that the high-pressure topochemical polymerization is a promising method for the precise synthesis of graphane with specific structure and desired properties.

Simulation study on dose and LET of neutron irradiation for biological experiments using spallation, reactor, and compact neutron sources

Sweet, M.*; Mishima, Kenji*; Harada, Masahide; Kurita, Keisuke; Iikura, Hiroshi; Tasaki, Seiji*; Kikuchi, Norio*

Quantum Beam Science (Internet), 9(2), p.11_1 - 11_17, 2025/04

https://doi.org/10.3390/qubs9020011

Neutron beam, being electrically neutral and highly penetrating, offers unique advantages for irradiation of biological species such as plants, seeds, and microorganisms. We comprehensively investigated the potential of neutron irradiation for inducing genetic mutations using simulations of J-PARC BL10, JRR-3 TNRF, and KUANS for spallation, reactor, and compact neutron sources.

Magnetic and quadrupole coupling emerging in NdB with geometrically frustrated orthogonal antiferromagnetic dimer

Metoki, Naoto; Yamauchi, Hiroki; Hagihara, Masato; Watanuki, Ryuta*; Kawamura, Seiko; Kofu, Maiko*; Nakajima, Kenji; Matsuda, Masaaki*

Physical Review B, 111(10), p.104424_1 - 104424_9, 2025/03

https://doi.org/10.1103/PhysRevB.111.104424

Inelastic neutron scattering experiments were carried out to understand the unusual successive order in NdB with the frustrated Shatry-Sutherland (SS) lattice. The pseudo-quartet with and splits into four levels in the magnetically ordered states. The spectra can be explained with the on-site magnetic interaction , the coupling of with quadrupole , and the uniaxial crystalline electric field. The -electron states reproduce the temperature dependences of the in-plane moment which is the primary order parameter, and a weakly induced as the secondary order parameter. The magnetic-quadrupole coupling emerges and play essential role under the geometrical frustration, where the Heisenberg interactions are cancelled out.

Neutron resonance absorption imaging fully utilizing neutron energies from 1 eV to 100 keV

Tsuchikawa, Yusuke; Kai, Tetsuya; Parker, J.*; Matsumoto, Yoshihiro*; Shinohara, Takenao

Scientific Reports (Internet), 15, p.7687_1 - 7687_8, 2025/03

https://doi.org/10.1038/s41598-025-92174-7

A neutron resonance absorption imaging technique to visualize two-dimensional distributions with element discrimination has been developed at the Materials and Life Science Experimental Facility of the Japan Proton Accelerator Research Complex. We measured neutron transmission spectra from 1 eV to 100 keV while rotating a sample containing iron, zirconium, nickel, molybdenum, and aluminum rods. The distributions of hafnium (impurity of zirconium) and molybdenum were clearly obtained by a straightforward analysis using the most prominent resonances. Then an analysis using multiple resonances of each element simultaneously was performed finding that the accuracy of elemental identification was improved, and iron and nickel distributions became clearer. However, these analysis methods sometimes have difficulties in the case of overlapping materials since a resonance shape can be deteriorated by those of other materials. Such an example was demonstrated with the case of iron and nickel. To overcome the issue and aiming for further improvement, we proposed a method to fit the transmission spectrum in a wide range assuming the existence of possible elements, successfully visualizing both the distributions of the sample metals and those of hafnium and manganese (impurities of zirconium and iron). The newly introduced analysis technique will contribute to the establishment of a standard analytical procedure for general users of the facility.

Concurrent neutron imaging and diffraction analysis revealing spatial lithiation phase evolution in an ultra-thick graphite electrode

Strobl, M.*; Baur, M. E.*; Samothrakitis, S.*; Molamud, F.*; Zhang, X.*; Tung, P. K. M.*; Schmidt, S.*; Woracek, R.*; Lee, J.*; Kiyanagi, Ryoji; et al.

Advanced Energy Materials, p.2405238_1 - 2405238_9, 2025/01

https://doi.org/10.1002/aenm.202405238

Theory of the spin Seebeck effect influenced by crystal-field excitations in TbFeO

Mori, Michiyasu; Tomasello, B.*; Ziman, T.*

Physical Review B, 111(1), p.014407_1 - 014407_12, 2025/01

https://doi.org/10.1103/PhysRevB.111.014407

Tensile properties of irradiated modified 316 stainless steel (PNC316) at slow strain rates

Yano, Yasuhide; Miyazawa, Takeshi; Tanno, Takashi; Akasaka, Naoaki; Yoshitake, Tsunemitsu; Kaito, Takeji; Otsuka, Satoshi

Journal of Nuclear Science and Technology, 8 Pages, 2025/00

https://doi.org/10.1080/00223131.2025.2475164

The effects of strain rate on tensile properties of irradiated modified 316 stainless steel (PNC316) claddings were investigated. PNC316 claddings were irradiated at the experimental fast reactor Joyo using CRT402 control rod assembly at 400C up to 25 dpa. Post-irradiation ring tensile tests were carried out at strain rates of 3.310, 3.310 and 3.310 s at a test temperature of 350C. The results showed no obvious dependence of all strain rates on tensile properties, although a slight decrease in total elongation was observed at the slowest strain rate of 3.310 s. In addition, only a part of fracture surface at the slowest strain rate showed intergranular type region in the inner surface area, although the grain boundary separation occurred on inner surfaces near the fracture region at all strain rates. It is suggested that presence of a high content of helium near the inner surfaces would be related to the fracture behavior.

High-precision powder diffraction experiments under high pressure at the J-PARC PLANET beamline and recent results; Observation of hydrogen bond symmetrization in ice

Hattori, Takanori; Komatsu, Kazuki*

Nihon Genshiryoku Gakkai-Shi ATOMO, 66(12), p.618 - 622, 2024/12

https://doi.org/10.3327/jaesjb.66.12_618

The high-pressure neutron diffractometer PLANET is the first beamline dedicated to high-pressure neutron experiments in Japan. It was constructed at the Materials and Life Science Experimental Facility (MLF) in the Japan Proton Accelerator Research Complex (J-PARC) located at Tokai-mura in Ibaraki Prefecture. Energy-dispersive data measurement using pulsed neutrons, state-of-the-art optical instruments, and a high-pressure device enable us to analyze the structure of crystals, liquids, and glasses over a wide range of pressure and temperature with unprecedented accuracy. In this paper, we will show how this has been achieved and introduce the recently published results on the symmetrization of hydrogen bonds in ice.