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At least 163 records · Page 9

Materials Data on U(HO2)2 by Materials Project

UO2(OH)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of U–O bond distances ranging from 2.00–2.32 Å. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.72 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one H1+ atom.

36 MATERIALS SCIENCE↗

Materials Data on U(HO2)2 by Materials Project

UO2(OH)2 crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of four pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules and eight water molecules.

36 MATERIALS SCIENCE↗

Materials Data on U(HO2)2 by Materials Project

UO2(OH)2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules and eight water molecules.

36 MATERIALS SCIENCE↗

Materials Data on K2U2MoO10 by Materials Project

K2(UO2)2(MoO4)O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.78–2.95 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.19 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 1.85–2.42 Å. In the second U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent MoO4 tetrahedra and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of U–O bond distances ranging from 1.84–2.62 Å. Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Mo–O bond distances ranging from 1.77–1.83 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one U6+, and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one K1+ and three U6+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one U6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one Mo6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one U6+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one U6+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one U6+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one Mo6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on UH14(NO2)4 by Materials Project

UO2(NH2O)2(NH2OH)2(H2O)2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight hydroxyammonium molecules; eight hydroxylamine molecules; four pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules; and eight water molecules.

36 MATERIALS SCIENCE↗

Materials Data on UH16C4(NO3)4 by Materials Project

UO2(NH4)3(CO2)4NH2OH2O crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve ammonium molecules; sixteen formic acid molecules; four hydroxylamine molecules; four pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules; and four water molecules.

36 MATERIALS SCIENCE↗

Materials Data on UH12(NO7)2 by Materials Project

UO2(NO3)2(H2O)6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of eight nitric acid molecules; four pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules; and twenty-four water molecules.

36 MATERIALS SCIENCE↗

Materials Data on U(C2O5)2 by Materials Project

UO2(CO2)4 crystallizes in the orthorhombic Ccce space group. The structure is zero-dimensional and consists of sixteen formic acid molecules and four pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules.

36 MATERIALS SCIENCE↗

Materials Data on Cs3U2PO10 by Materials Project

Cs3(UO2)2(PO4)O2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to eight O2- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.60 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.02–3.18 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of U–O bond distances ranging from 1.88–2.42 Å. In the second U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of U–O bond distances ranging from 1.89–2.30 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four UO6 octahedra. The corner-sharing octahedra tilt angles range from 34–53°. There is two shorter (1.55 Å) and two longer (1.57 Å) P–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Cs1+, one U6+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+ and one U6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cs1+, one U6+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two U6+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Cs1+ and one U6+ atom.

36 MATERIALS SCIENCE↗

Materials Data on U(H2O3)2 by Materials Project

UO2(OH)4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded to eight O atoms to form distorted edge-sharing UO8 hexagonal bipyramids. There are a spread of U–O bond distances ranging from 1.80–2.44 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.76 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a 4-coordinate geometry to two equivalent U, one H, and one O atom. The O–O bond length is 1.45 Å. In the fourth O site, O is bonded in a distorted water-like geometry to one U and two H atoms.

36 MATERIALS SCIENCE↗

Materials Data on UC3N4O11 by Materials Project

UO2(N2)2(CO3)3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of sixteen ammonia molecules; twelve carbonic acid molecules; and four pitchblend, uranium(iv) oxide, uranium(iv) dioxide, uranium dioxide molecules.

36 MATERIALS SCIENCE↗

Optical Vibrational Spectroscopic Investigation of Natural and Synthetic Analogs of Uranyl Oxyhydroxyhydrate Minerals

Uranyl oxy-hydroxy-hydrate minerals are common alteration products of uraninite (UO2+x) which is chemically and structurally analogous to uranium dioxide nuclear fuel. Therefore, structural and spectroscopic investigations of these alteration minerals and their analogous anthropogenic counterparts can provide insight into the environmental behavior of nuclear fuel cycle materials. Previously, we compiled available vibrational spectroscopic data for uranyl minerals in the Compendium of Uranium Raman and Infrared Experimental Spectra (CURIES) and found that only 37% of known uranyl oxy-hydroxy-hydrate minerals had spectra readily available in the literature and existing databases for inclusion therein. Furthermore, no available infrared spectra for this mineral group were included in CURIES. To expand our understanding of the spectroscopic features of uranyl oxy-hydroxy-hydrates and the structural origins thereof, we collected, and now include in CURIES, Raman and infrared spectra for an additional 12 uranyl hydroxide phases. To better understand the impact of structural and compositional variations of these phases on their spectroscopic features, we compare Raman spectra of different anion sheet topological groups and of analogous phases hosting different counter cations. We identify spectroscopic variations related to differences in equatorial bonding and structural changes as a result of cation substitution. We also prepare a uranyl hydroxide phase via hydrolysis of uranyl fluoride (UO2F2) as an analog of hydrolysis reactions that occur in nuclear fuel cycle materials; and we find that the alteration product of UO2F2, despite chemical and structural similarities to uranyl oxy-hydroxy-hydrate minerals, is readily distinguishable from related mineral phases using Raman spectroscopy. In this work, we provide new insights into the structural origins of spectroscopic features in uranyl oxy-hydroxy-hydrate minerals, improve the average Raman spectrum for this group of minerals, and thereby improve capabilities for identifying these mineral species and related anthropogenic phases using Raman spectroscopy.

Barth, Brodie [ORNL] (ORCID:0000000256142601)↗

Non-destructive Examinations of ATF-2 Baseline Rodlets

This report contains the results of non-destructive examinations of Accident Tolerant Fuels 2 (ATF-2) rodlets irradiated in the Advanced Test Reactor (ATR) Loop 2A. The experiment is part of the U.S. Department of Energy Nuclear Technology Research and Development (NTRD) program’s Advanced Fuels Campaign (AFC). The rodlets were composed of UO2 pellets and Zr-4 cladding. The data have been collected to provide baseline PIE data to support future testing in TREAT and to have performance data against which the data of the ATF concepts can be compared directly. The analyses performed included: visual examinations, axial gamma scanning, neutron radiography and profilometry. All the data collected showed a performance consistent with expectations for this fuel system at low burnup.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

High Temperature Steam Oxidation of Irradiated FeCrAl in the Severe Accident Test Station

FeCrAl-UO2 test capsules were fabricated at Oak Ridge National Laboratory (ORNL) and irradiated at the Advanced Test Reactor. Following irradiation, samples were sectioned from the irradiated rod and oxidation kinetics were evaluated to access the candidate cladding high-temperature oxidation performance following irradiation. The irradiation was performed at approximately 400°C to a burnup of 10 GWd/MT. The high-temperature oxidation tests were conducted in the ORNL Severe Accident Test Station at 1200 and 1300°C. Weight measurements were taken before and after oxidation testing. Cross-sections of the cladding were metallographically mounted and optical microscopy was performed. Measurements of the oxidation layer before and after high-temperature testing were collected. The results indicate the irradiated FeCrAl C35M alloy provided good thermal stability up to 1200°C.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

FY2022 Progress Report for Advanced Re-fabrication/Re-instrumentation Capability Development

In support of performing follow-on irradiation experiments with previously irradiated materials, the Halden Reactor Project developed unique and state of the art capabilities to refabricate and re-instrument previously irradiated materials. Such materials were used in in-pile tests at the Halden reactor, and out-of-pile tests for example using furnaces as a heat source. The decision to close the Halden Reactor Project results in the loss of this refabrication and re-instrumentation capability. As a result, the United States (U.S.) Department of Energy (DOE) has determined to develop refabrication and re-instrumentation capability at the unique shielded facilities at Idaho National Laboratory (INL). The development of refabrication capability has been completed and demonstrated. This report focuses on the complementary aspects of reinstrumentation and the progress to-date. Halden spent nearly 30 years developing both refabrication and re-instrumentation. Collaboration with Halden is allowing Idaho National Laboratory (INL) to develop this capability much more rapidly. In FY-21 the results include development of the capability to drill annular center holes in ceramic UO2 fuel pellets, development of fuel rod end caps with feedthroughs for centerline instrumentation inside the rodlet, The procurement of both fuel drilling and welding demonstration equipment from Halden, evaluation of surface thermocouple attachments to support better understanding of temperature measurement uncertainties, and finally, the conceptual design of a new shielded enclosure where advanced refabrication and re-instrumentation equipment can be housed. In FY-22, the results include; Completing set up of the drilling and welding modules procured from Halden, and early experimental trials using that equipment.; Completing set up of an out-of-cell circumferential weld system to allow for further weld development to take place and support fabrication of fuel for fresh fuel experiments.; Evaluation of the Hot Fuel Examination Facility (HFEF) infrastructure to support future installation of advanced re-fabrication/re-instrumentation equipment, specifically related to necessary infrastructure for cryo-drilling.; Developments in dry-drilling alternative. Including experimental studies showing cordierite is the most suitable surrogate for UO 2 for performing drilling studies. That drilling performance is enhanced when a fuel-clad bonding condition is simulated.; Conceptual design completed for attaching surface thermocouples to irradiated fuel in support of TWIST capsule experiments. The authors would like to thank the numerous colleagues at INL and Halden who provided support in accomplishing this work. Their support both material and intellectual is invaluable in advancing the state of the art and establishing the capabilities for refabrication and re-instrumentation at INL.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Probing Fundamental Mechanisms of Plastic Deformation with High Energy X-rays (Final Progress Report)

Overall, substantial progress was made on developing BCDI techniques in the direction of imaging defects in multi-crystal samples. Section 2.1 describes a new method to reconstruct the 3D atomic displacement field within a grain from multiple coherently resolved diffraction peaks. The key development is the ability to recover a best fit to the grain shape at the same time as the internal displacement (strain) variation with no prior knowledge of the microstructure. This is complemented by the development of a method, Sec. 2.2, to separate out sets of Laue reflections that belong to a single grain (and thus be able to index its orientation) in the commonly encountered situation in which the beam illuminates several grains in a given location. This is essential for enabling collection of coherent diffraction data (at APS 34-ID-C) from neighboring grains. All experiments depend on the quality of samples used. Although good progress has been made with thin film samples, we are working with a broader range of geometries. A new sample design uses a high-Z metal (e.g., Pt) deposited in a sub-micron trench in a low-Z metal (e.g., Al) so that the grain size is prevented from exceeding the current limit for BCDI. We also report in section 3.1 on successfully applying NF-HEDM to a fine-grain Mg sample that would normally be considered out of scope for the method. This represents progress towards being able to map out polycrystalline samples in 3D before performing BCDI on individual grains. We further report in section 3.2 on preliminary NF-HEDM characterization of a sample of UO2 that has sub-micron grains; the data imply the capability of mapping fine-grain polycrystals at 1-ID-E, again for the purposes of BCDI in the bulk. Lastly, our plan is to load grains in polycrystalline samples by inducing thermal stress. We also report the experimental measurements of the Ti- 6Al-4V alloy obtained at the European Synchrotron Radiation Facility (ESRF), which had been indexed and mapped via HEDM at APS in section 9. As discussed below, however, technique development pre-occupied the team throughout the project which meant that we did not make any significant progress towards answering the original hypotheses as stated in the proposal. In summary, we assert that we have made good progress in methods and samples and future work taking advantage of this progress is likely to obtain and analyze BCDI data from multiple adjacent grains in 3D polycrystals. Obtaining such data depends on re-gaining access to the Advanced Photon Source, which is anticipated in late summer or the Fall. In all cases, work has involved close collaboration with faculty, staff, postdocs and students from Brigham Young University (BYU), the Los Alamos National Laboratory and APS beamlines 1-ID and 34-ID.

36 MATERIALS SCIENCE↗

Advanced Fuel Cycle Cost Basis Report: Supporting Document 7 Presentation: Du and RU Disposal Costs [Slides]

Worldwide DU and RU in various chemical forms are some of the largest legacy products of the nuclear industry (defense & power) in both mass and volume. Chemical forms include U metal or alloy, UF6, UO2, UO3, U3O8, and UF4. Most of this material is now in above ground storage. Due to chemical stability and low water solubility oxides are the preferred form for safe storage and ultimate disposal. Long term U disposal in large amounts presents more of a potential radioactivity problem than its conversion and temporary storage. Now a near term problem with freshly-mined uranium ore, radon emanation will eventually be a long-term problem for both DU and RU dispositioned in large quantities at a specific location.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

FY21 Progress Report for Advanced Re fabrication/Re-instrumentation Capability Development

In support of performing follow on irradiation experiments with previously irradiated materials, the Halden Reactor Project developed unique and state of the art capabilities to refabricate and re-instrument previously irradiated materials. Such materials were used in in-pile tests at the Halden reactor, and out-of-pile tests for example using furnaces as a heat source. The decision to close the Halden Reactor Project results in the loss of this refabrication and reinstrumentation capability. As a result, the United States Department of Energy has determined to develop refabrication and re-instrumentation capability at the unique shielded facilities at Idaho National Laboratory. The development of refabrication capability has been completed and demonstrated. This report focuses on the complementary aspects of re-instrumentation and the progress to date. Halden spent nearly 30 years developing both refabrication and reinstrumentation. Collaboration with Halden is allowing INL to develop this capability much more rapidly. The results include development of the capability to drill annular center holes in ceramic UO2 fuel pellets, development of fuel rod end caps with feedthroughs for centerline instrumentation inside the rodlet, The procurement of both fuel drilling and welding demonstration equipment from Halden, evaluation of surface thermocouple attachments to support better understanding of temperature measurement uncertainties, and finally, the conceptual design of a new shielded enclosure where advanced refabrication and re-instrumentation equipment can be housed. The authors would like to thank the numerous colleagues at INL and Halden who provided support in accomplishing this work. Their support both material and intellectual is invaluable in advancing the state of the art and establishing the capabilities for refabrication and re-instrumentation at INL.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗