Anisotropic electrical conductivity changes in FeTiO structure transition under high pressure

Yamanaka, Takamitsu*; Nakamoto, Yuki*; Sakata, Masafumi*; Shimizu, Katsuya*; Hattori, Takanori

Physics and Chemistry of Minerals, 51(1), p.4_1 - 4_10, 2024/02

https://doi.org/10.1007/s00269-023-01261-6

Neutron and synchrotron X-ray diffraction and electric conductivity measurements of FeTiO ilmenite were performed under pressures. Ilmenite structure is retained up to 28 GPa. Structure analysis revealed that FeO and TiO are compressible and less compressible below 8 GPa, respectively. The resistivity is lowest along the Fe-Ti direction that has shortest interatomic distance among all the metal ion pairs. The resistivity in the direction normal to c-axis monotonically decreases with pressure, whereas that along c-axis shows hallow-shape with pressure. Maximum entropy analysis shows that electron configuration of Fe (3) is more strongly changed than Ti (3) under compression. The anisotropic electrical conductivity and non-uniform structure change of Fe-Ti interatomic distance can be explained by the possible spin transition from high-spin state to intermediate-spin state of Fe cation.

Nonmagnetic-magnetic transition and magnetically ordered structure in SmS

Yoshida, Shogo*; Koyama, Takehide*; Yamada, Haruhiko*; Nakai, Yusuke*; Ueda, Koichi*; Mito, Takeshi*; Kitagawa, Kentaro*; Haga, Yoshinori

Physical Review B, 103(15), p.155153_1 - 155153_5, 2021/04

https://doi.org/10.1103/PhysRevB.103.155153

Data report of ROSA/LSTF experiment SB-SL-01; Main steam line break accident

Takeda, Takeshi

JAEA-Data/Code 2020-019, 58 Pages, 2021/01

JAEA-Data-Code-2020-019.pdf:3.85MB

An experiment denoted as SB-SL-01 was conducted on March 27, 1990 using the Large Scale Test Facility (LSTF) in the Rig of Safety Assessment-IV (ROSA-IV) Program. The ROSA/LSTF experiment SB-SL-01 simulated a main steam line break (MSLB) accident in a pressurized water reactor (PWR). The test assumptions were made such as auxiliary feedwater (AFW) injection into secondary-side of both steam generators (SGs) and coolant injection from high pressure injection (HPI) system of emergency core cooling system into cold legs in both loops. The MSLB led to a fast depressurization of broken SG, which caused a decrease in the broken SG secondary-side wide-range liquid level. The broken SG secondary-side wide-range liquid level recovered because of the AFW injection into the broken SG secondary-side. The primary pressure temporarily decreased a little just after the MSLB, and increased up to 16.1 MPa following the closure of the SG main steam isolation valves. Coolant was manually injected from the HPI system into cold legs in both loops a few minutes after the primary pressure reduced to below 10 MPa. The primary pressure raised due to the HPI coolant injection, but was kept at less than 16.2 MPa by fully opening a power-operated relief valve of pressurizer. The core was filled with subcooled liquid through the experiment. Thermal stratification was seen in intact loop cold leg during the HPI coolant injection owing to the flow stagnation. On the other hand, significant natural circulation prevailed in broken loop. When the continuous core cooling was ensured by the successive coolant injection from the HPI system, the experiment was terminated. The experimental data obtained would be useful to consider recovery actions and procedures in the multiple fault accident with the MSLB of PWR. This report summarizes the test procedures, conditions, and major observations in the ROSA/LSTF experiment SB-SL-01.

Code-B-2.5.2 for stress calculation for SiC-TRISO fuel particle

Aihara, Jun; Goto, Minoru; Ueta, Shohei; Tachibana, Yukio

JAEA-Data/Code 2019-018, 22 Pages, 2020/01

JAEA-Data-Code-2019-018.pdf:1.39MB

Concept of Pu-burner high temperature gas-cooled reactor (HTGR) was proposed for purpose of more safely reducing amount of recovered Pu. In Pu-burner HTGR concept, coated fuel particle (CFP), with ZrC coated yttria stabilized zirconia (YSZ) containing PuO (PuO-YSZ) small particle and with tri-structural isotropic (TRISO) coating, is employed for very high burn-up and high nuclear proliferation resistance. ZrC layer is oxygen getter. On the other hand, we have developed Code-B-2.5.2 for prediction of pressure vessel failure probabilities of SiC-tri-isotropic (TRISO) coated fuel particles for HTGRs under operation by modification of an existing code, Code-B-2. The main purpose of modification is preparation of applying code for CFPs of Pu-burner HTGR. In this report, basic formulae are described.

Crystal structure change of katoite, CaAl(OD), with temperature at high pressure

Kyono, Atsushi*; Kato, Masato*; Sano, Asami; Machida, Shinichi*; Hattori, Takanori

Physics and Chemistry of Minerals, 46(5), p.459 - 469, 2019/05

https://doi.org/10.1007/s00269-018-1016-4

To reveal the decomposition mechanism with temperature under high-pressure, crystal structure of a hydrogrossular, katoite CaAl(OD) has been studied by in-situ neutron diffraction at 8 GPa. Although unusual expansion behavior was discerned at 200-400C, the unit cell was continuously expanded up to 850C. At 900C, katoite was decomposed, indicating that pressure strongly increases dehydration temperature from 300C to 900C. On release of pressure, the katoite reappear together with corundum and portlandite. At 8 GPa, CaO and AlO polyhedra expand with temperature up to 850C by about 8% and 13%, respectively. On the other hand, tetrahedral interstices are isotopically squeezed by about 10%: due to the expansion of above polyhedra. The neighboring D-D distance remains almost unchanged in this temperature range, while the O-D bond distance shrinks drastically just before decomposition. This finding suggests that the shortening of O-D distance caused by the D-D repulsion destabilizes the O-D bond, which induces the thermal decomposition of katoite.

Pressure-induced stacking disorder in boehmite

Ishii, Yusuke*; Komatsu, Kazuki*; Nakano, Satoshi*; Machida, Shinichi*; Hattori, Takanori; Sano, Asami; Kagi, Hiroyuki*

Physical Chemistry Chemical Physics, 20(24), p.16650 - 16656, 2018/06

https://doi.org/10.1039/C8CP02565G

The structure of an aluminum layered hydroxide, boehmite (-AlOOH), as a function of pressure was studied by using synchrotron X-ray and neutron diffraction. Peak broadening and subsequent splitting, which are only found for hkl (h 0) peaks in the X-ray diffraction patterns above 25 GPa, are explained by stacking disorder accompanied with a continuously increasing displacement of the AlO octahedral layer along a-axis. This finding could be the first experimental result for the pressure-induced stacking disorder driven by the continuous layer displacement. The magnitude of the layer displacement was estimated from the X-ray scattering profile calculation based on the stacking disordered structure model. Hydrogen bond geometries of boehmite, obtained by structure refinements on the observed neutron diffraction patterns for deuterated sample up to 10 GPa, show linearly approaching O-D covalent and DO hydrogen bond distances and they could merge below 26 GPa. The pressure-induced stacking disorder would make the electrostatic potential of hydrogen bonds asymmetric, yielding less chance for the proton-tunnelling.

Data report of ROSA/LSTF experiment SB-SG-10; Recovery actions from multiple steam generator tube rupture accident

Takeda, Takeshi

JAEA-Data/Code 2018-004, 64 Pages, 2018/03

JAEA-Data-Code-2018-004.pdf:3.33MB

Experiment SB-SG-10 was conducted on November 17, 1992 using LSTF. Experiment simulated recovery actions from multiple steam generator (SG) tube rupture accident in PWR. Primary pressure was kept higher than broken SG secondary-side pressure due to coolant injection from high pressure injection (HPI) system into cold and hot legs even after start of full opening of intact SG relief valve (RV). Full opening of power-operated relief valve (PORV) in pressurizer (PZR) resulted in pressure equalization between primary and broken SG systems as well as PZR liquid level recovery. Broken SG RV opened once after start of intact SG RV full opening. Core was filled with saturated or subcooled liquid through experiment. Significant natural circulation prevailed in intact loop after start of intact SG RV full opening. Significant thermal stratification appeared in hot legs especially during time period of HPI coolant injection into hot legs.

Ice VII from aqueous salt solutions; From a glass to a crystal with broken H-bonds

Klotz, S.*; Komatsu, Kazuki*; Pietrucci, F.*; Kagi, Hiroyuki*; Ludl, A.-A.*; Machida, Shinichi*; Hattori, Takanori; Sano, Asami; Bove, L. E.*

Scientific Reports (Internet), 6, p.32040_1 - 32040_8, 2016/08

https://doi.org/10.1038/srep32040

It has been known since decades that certain aqueous salt solutions of LiCl and LiBr readily form glasses when cooled to below 160 K. This fact has recently been exploited to produce a salty high pressure ice form: When the glass is compressed at low temperatures to pressures higher than 4 GPa and subsequently warmed, it crystallizes into ice VII with the ionic species trapped inside the ice lattice. Here we report the extreme limit of salt incorporation into ice VII, using high pressure neutron diffraction and molecular dynamics simulations. We show that high-pressure crystallization of aqueous solutions of LiCl5.6HO and LiBr5.6HO leads to solids with strongly expanded volume, a destruction of the hydrogen-bond network with an isotropic distribution of water-dipole moments, as well as a crystal to-amorphous transition on decompression. This highly unusual behavior constitutes an interesting pathway from a glass to a crystal where translational periodicity is restored but the rotational degree of freedoms remaining completely random.

Hydrostatic compression behavior and high-pressure stabilized -phase in -based titanium aluminide intermetallics

Liss, K.-D.*; Funakoshi, Kenichi*; Dippenaar, R. J.*; Higo, Yuji*; Shiro, Ayumi*; Reid, M.*; Suzuki, Hiroshi; Shobu, Takahisa; Akita, Koichi

Metals, 6(7), p.165_1 - 165_22, 2016/07

https://doi.org/10.3390/met6070165

Titanium aluminides find application in modern light-weight, high-temperature turbines, such as aircraft engines, but suffer from poor plasticity during manufacturing and processing. Huge forging presses enable materials processing in the 10 GPa range and hence, it is necessary to investigate the phase-diagrams of candidate materials under these extreme conditions. Here we report on an in-situ synchrotron X-ray diffraction study in a large-volume-press of a modern ( + ) two-phase material, Ti-45Al-7.5Nb-0.25C, under pressures up to 9.6 GPa and temperatures up to 1686 K. At room temperature, the volume response to pressure is accommodated by the transformation rather than volumetric strain, expressed by apparently high bulk moduli of both constituent phases. Crystallographic aspects, specifically lattice strain and atomic order are discussed in detail. It is interesting to note that this transformation takes place despite an increase in atomic volume, which is due to the high ordering energy of . Upon heating under high pressure, both the eutectoid and -solvus transition temperatures are elevated, and a third, cubic -phase is stabilized above 1350 K. Earlier research has shown that this -phase is very ductile during plastic deformation, essential in near-conventional forging processes. Here, we were able to identify an ideal processing window for near-conventional forging, while the presence of the detrimental -phase is not present under operating conditions. Novel processing routes can be defined from these findings.

Measurement of void fraction distribution in steam-water two-phase flow in a 44 bundle at 2 MPa

Liu, W.; Nagatake, Taku; Shibata, Mitsuhiko; Takase, Kazuyuki; Yoshida, Hiroyuki

Transactions of the American Nuclear Society, 114, p.875 - 878, 2016/06

To contribute to the clarification of the Fukushima Daiichi Accident, JAEA is working on getting instantaneous void fraction distribution data in steam water two - phase flow in rod bundle geometry under high pressure, high temperature condition, with using Wire Mesh Sensor (WMS) developed at JAEA for high pressure, high temperature condition, focusing on the low flow rate condition after the reactor scram. This paper reports the experimental results for the measured void fraction distribution in steam vapor two-phase flow in a 4 4 bundle under 1.6 MPa (202 C), 2.1 MPa (215 C) and 2.6 MPa (226 C) conditions. The data is expected to be used in the validation of the detailed two-phase flow codes TPFIT and ACE3D developed at JAEA. The time and space averaged void fraction data is also expected being used in the validation of the drift flux models implemented in the two fluids codes, such as TRACE code.