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At least 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Ultrafiltration separation of Am(VI)-polyoxometalate from lanthanides

Partitioning of americium from lanthanides (Ln) present in used nuclear fuel plays a key role in the sustainable development of nuclear energy. This task is extremely challenging because thermodynamically stable Am(III) and Ln(III) ions have nearly identical ionic radii and coordination chemistry. Oxidization of Am(III) to Am(VI) produces AmO 2 2+ ions distinct with Ln(III) ions, which has the potential to facilitate separations in principle. However, the rapid reduction of Am(VI) back to Am(III) by radiolysis products and organic reagents required for the traditional separation protocols including solvent and solid extractions hampers practical redox-based separations. Herein, we report a nanoscale polyoxometalate (POM) cluster with a vacancy site compatible with the selective coordination of hexavalent actinides ( 238 U, 237 Np, 242 Pu and 243 Am) over trivalent lanthanides in nitric acid media. To our knowledge, this cluster is the most stable Am(VI) species in aqueous media observed so far. Ultrafiltration-based separation of nanoscale Am(VI)-POM clusters from hydrated lanthanide ions by commercially available, fine-pored membranes enables the development of a once-through americium/lanthanide separation strategy that is highly efficient and rapid, does not involve any organic components and requires minimal energy input.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Integrating Advanced Modeling and Accelerated Testing for a Modernized Fuel Qualification Paradigm

With the increasing interest in sodium fast reactor technology, as seen by applications to the U.S. Nuclear Regulatory Commission for the OKLO Aurora plant, fuel testing for the TerraPower Traveling Wave Reactor, and the impending construction and startup of the versatile test reactor (VTR), a modernized, accelerated approach to fuel qualification is needed. To guide this effort, a Phenomena Identification Ranking Table–styled analysis was performed for a U-Pu-Zr sodium-free annular fuel system. This analysis evaluated a series of fuel design properties and parameters against their contributions to key fuel performance phenomena. The resulting priority parameters were then reviewed against existing modeling and experimental capabilities to support investigation of the highest-priority parameters. A pathway for qualification was then established using highthroughput, high-volume experiments from MiniFuel and FAST in parallel with advanced physics-based model development. This effort outlines how the first stages of qualification can be reduced from the typical 20+-year development cycle to 5 to 7 years by deploying accelerated irradiation testing platforms. As with any accelerated test, these methods are prototypic in some aspects and less so in others; however, by coupling with advanced fuel performance modeling and simulation capabilities, the larger space of irradiation parameters and material response provided offers advantages for the validation of physics-based models supporting the deployment of novel fuel designs. As a test case, this paper utilizes a proposed Mark II fuel system for the upcoming VTR. Thus, an accelerated qualification method can be tested for the development of MARK II driver fuel so that by the time of VTR startup, lead test assemblies for a Mark II fuel can be initiated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Materials Data on PuN by Materials Project

PuN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing PuN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pu–N bond lengths are 2.47 Å. N3- is bonded to six equivalent Pu3+ atoms to form a mixture of edge and corner-sharing NPu6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuO2 by Materials Project

PuO2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu4+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pu–O bond lengths are 2.33 Å. O2- is bonded to four equivalent Pu4+ atoms to form a mixture of edge and corner-sharing OPu4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pu2C3 by Materials Project

Pu2C3 is Plutonium carbide structured and crystallizes in the cubic I-43d space group. The structure is three-dimensional. Pu3+ is bonded in a 6-coordinate geometry to nine equivalent C2- atoms. There are a spread of Pu–C bond distances ranging from 2.47–2.80 Å. C2- is bonded to six equivalent Pu3+ and one C2- atom to form a mixture of distorted edge, corner, and face-sharing CPu6C trigonal bipyramids. The C–C bond length is 1.39 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuB4 by Materials Project

PuB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pu6+ is bonded in a 12-coordinate geometry to eighteen B+1.50- atoms. There are a spread of Pu–B bond distances ranging from 2.72–3.03 Å. There are three inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to four equivalent Pu6+ and five B+1.50- atoms. There is one shorter (1.62 Å) and four longer (1.76 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Pu6+ and five B+1.50- atoms. There is one shorter (1.71 Å) and two longer (1.82 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a distorted trigonal planar geometry to six equivalent Pu6+ and three B+1.50- atoms. The B–B bond length is 1.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuPt2 by Materials Project

PuPt2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pu4+ is bonded in a 12-coordinate geometry to twelve equivalent Pt2- atoms. All Pu–Pt bond lengths are 3.17 Å. Pt2- is bonded to six equivalent Pu4+ and six equivalent Pt2- atoms to form a mixture of corner, edge, and face-sharing PtPu6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuSi by Materials Project

PuSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pu4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Pu–Si bond distances ranging from 2.82–3.08 Å. Si4- is bonded in a 9-coordinate geometry to seven equivalent Pu4+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.37 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuAs by Materials Project

PuAs is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu3+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Pu–As bond lengths are 3.05 Å. As3- is bonded in a body-centered cubic geometry to eight equivalent Pu3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuSb by Materials Project

PuSb is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu3+ is bonded in a body-centered cubic geometry to eight equivalent Sb3- atoms. All Pu–Sb bond lengths are 3.26 Å. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Pu3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pu2O3 by Materials Project

Pu2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pu–O bond distances ranging from 2.28–2.61 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Pu3+ atoms to form OPu6 octahedra that share corners with twelve equivalent OPu4 tetrahedra, edges with six equivalent OPu6 octahedra, and edges with six equivalent OPu4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Pu3+ atoms to form OPu4 tetrahedra that share corners with six equivalent OPu6 octahedra, corners with six equivalent OPu4 tetrahedra, edges with three equivalent OPu6 octahedra, and edges with three equivalent OPu4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–56°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuCl3 by Materials Project

PuCl3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Pu3+ is bonded in a 9-coordinate geometry to nine equivalent Cl1- atoms. There are six shorter (2.88 Å) and three longer (2.94 Å) Pu–Cl bond lengths. Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent Pu3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuH3 by Materials Project

PuH3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pu3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Pu–H bond distances ranging from 2.15–2.39 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Pu3+ atoms to form a mixture of corner, edge, and face-sharing HPu4 tetrahedra. In the second H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Pu3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuH8(SO6)2 by Materials Project

PuH8(SO6)2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two PuH8(SO6)2 sheets oriented in the (0, 0, 1) direction. Pu4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pu–O bond distances ranging from 2.32–2.41 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.50 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a water-like geometry to one Pu4+ and two H1+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pu4+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to one Pu4+ and two equivalent H1+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pu4+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a water-like geometry to one Pu4+ and two equivalent H1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuPt3 by Materials Project

PuPt3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu6+ is bonded to twelve equivalent Pt2- atoms to form a mixture of face and corner-sharing PuPt12 cuboctahedra. All Pu–Pt bond lengths are 2.94 Å. Pt2- is bonded in a distorted square co-planar geometry to four equivalent Pu6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuAs by Materials Project

PuAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu3+ is bonded to six equivalent As3- atoms to form a mixture of edge and corner-sharing PuAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pu–As bond lengths are 2.93 Å. As3- is bonded to six equivalent Pu3+ atoms to form a mixture of edge and corner-sharing AsPu6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuSb by Materials Project

PuSb is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu3+ is bonded to six equivalent Sb3- atoms to form a mixture of corner and edge-sharing PuSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pu–Sb bond lengths are 3.13 Å. Sb3- is bonded to six equivalent Pu3+ atoms to form a mixture of corner and edge-sharing SbPu6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuB by Materials Project

BPu is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu3+ is bonded to six equivalent B3- atoms to form a mixture of corner and edge-sharing PuB6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pu–B bond lengths are 2.58 Å. B3- is bonded to six equivalent Pu3+ atoms to form a mixture of corner and edge-sharing BPu6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗